# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-12T16:29:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2023 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1567181","26.371","0.007","5.2029","0.0013","8.904","0.002","90","","99.325","0.002","90","","1205.5","0.5","298","","298","","0","","0","","","","","4","P 1 21/a 1","-P 2yab","14","","Glutaric acid isonicotinamide","Form II","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","","Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L.","Controlling polymorphism in molecular cocrystals by variable temperature ball milling.","Faraday discussions","2023","241","0","178","193","10.1039/d2fd00115b","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","8.58","","","","","","","has coordinates","283357","2023-05-05","02:46:22",""
"1567249","6.316","","7.365","","17.769","","90","","81.08","","90","","816.57","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Ag Br N2 -","- C6 H8 Ag Br N2 -","- C24 H32 Ag4 Br4 N8 -","4","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0143","1.33691","","","","","","","has coordinates","281467","2023-03-04","18:23:29",""
"1567250","7.8259","0.0005","13.3434","0.0007","7.8729","0.0008","90","","103.64","0.009","90","","798.93","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Br N2 -","- C6 H9 Br N2 -","- C24 H36 Br4 N8 -","4","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","","0.71073","MoKα","","0.0669","0.0428","","","0.0816","0.0913","","","","","","1.069","","","","has coordinates","281467","2023-03-04","18:23:29",""
"1567251","9.4518","0.0006","6.188","0.0003","14.3981","0.0009","90","","105.712","0.006","90","","810.65","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Ag Br N2 -","- C6 H8 Ag Br N2 -","- C24 H32 Ag4 Br4 N8 -","4","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","","0.71073","MoKα","","0.0581","0.0419","","","0.0749","0.0852","","","","","","1.041","","","","has coordinates","281467","2023-03-04","18:23:29",""
"1567252","16.9162","0.0007","4.5682","0.0002","22.7197","0.0008","90","","90.447","0.004","90","","1755.65","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Ag I N2 -","- C6 H8 Ag I N2 -","- C48 H64 Ag8 I8 N16 -","8","2","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","x-ray","0.71073","MoKα","","0.1147","0.0596","","","0.1174","0.1349","","","","","","1.066","","","","has coordinates","281467","2023-03-04","18:23:29",""
"1567253","4.579","","10.323","","10.263","","112.54","","83.86","","85.59","","441.808","","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Ag I N2 -","- C6 H8 Ag I N2 -","- C12 H16 Ag2 I2 N4 -","2","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0063","2.0357","","","","","","","has coordinates","281467","2023-03-04","18:23:29",""
"1567254","4.3871","0.0005","10.1081","0.0012","10.251","0.0018","113.498","0.014","97.081","0.012","93.535","0.009","410.63","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Ag Br N2 -","- C6 H8 Ag Br N2 -","- C12 H16 Ag2 Br2 N4 -","2","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","x-ray","0.71073","MoKα","","0.0717","0.0448","","","0.0725","0.0854","","","","","","0.983","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1567345","7.72","0.002","4.78","0.002","19.85","0.004","90","0.03","92.22","0.03","90","0.03","731.9","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","0.5","","Biswas, Sankarsan; Banerjee, Sayan; Shlain, Milan A.; Bardin, Andrey A.; Ulijn, Rein V.; Nannenga, Brent L.; Rappe, Andrew M.; Braunschweig, Adam B.","Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene.","Faraday discussions","2023","241","0","266","277","10.1039/d2fd00122e","","","0.019687","300keVelectrons","","0.2738","0.2174","","","0.4281","0.472","","","","","","1.376","","","","has coordinates","281468","2023-03-04","18:23:38",""
"1567389","7.5629","0.0002","7.8139","0.0002","7.4416","0.0002","90","","102.011","0.001","90","","430.14","0.02","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium dicyanocuprate (I)","","- C2 Cu K N2 -","- C2 Cu K N2 -","- C8 Cu4 K4 N8 -","4","1","","Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav","Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts.","Faraday discussions","2023","241","0","425","447","10.1039/d2fd00134a","","","1.54178","CuKα","","0.0363","0.0319","","","0.0777","0.0813","","","","","","1.152","","","","has coordinates","283359","2023-05-05","02:47:05",""
"1567390","7.3007","0.0001","7.3007","0.0001","17.5643","0.0004","90","","90","","120","","810.76","0.02","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 Au K N2 -","- C2 Au K N2 -","- C12 Au6 K6 N12 -","6","0.25","","Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav","Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts.","Faraday discussions","2023","241","0","425","447","10.1039/d2fd00134a","","","1.54178","CuKα","","0.067","0.0649","","","0.1465","0.1503","","","","","","1.277","","","","has coordinates,has disorder","283359","2023-05-05","02:47:15",""
"1567404","14.6788","0.0018","16.4689","0.0018","19.909","0.002","90.361","0.004","105.337","0.004","106.991","0.004","4420.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H116 Cl2 In2 N4 O8 S4 -","- C80 H116 Cl2 In2 N4 O8 S4 -","- C160 H232 Cl4 In4 N8 O16 S8 -","2","1","","Leon, Felix; Li, Chenfei; Reynes, Javier F.; Singh, Varun K.; Lian, Xiao; Ong, How Chee; Hum, Gavin; Sun, Handong; García, Felipe","Mechanosynthesis and photophysics of colour-tunable photoluminescent group 13 metal complexes with sterically demanding salen and salophen ligands.","Faraday discussions","2023","241","0","63","78","10.1039/d2fd00117a","","","0.71073","MoKα","","0.1755","0.0822","","","0.1384","0.1802","","","","","","1.101","","","","has coordinates,has disorder","283356","2023-05-05","02:46:13",""
"1567441","23.28","0.0004","23.28","0.0004","19.9119","0.0004","90","","90","","120","","9345.6","0.3","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H31 N3 O2 S -","- C20 H31 N3 O2 S -","- C360 H558 N54 O36 S18 -","18","1","","Gonnet, Lori; Borchers, Tristan H.; Lennox, Cameron B.; Vainauskas, Jogirdas; Teoh, Yong; Titi, Hatem M.; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","The ""<i>η</i>-sweet-spot"" (<i>η</i><sub>max</sub>) in liquid-assisted mechanochemistry: polymorph control and the role of a liquid additive as either a catalyst or an inhibitor in resonant acoustic mixing (RAM).","Faraday discussions","2023","241","0","128","149","10.1039/d2fd00131d","","","1.54178","CuKα","","0.0783","0.0483","","","0.1219","0.1595","","","","","","1.137","","","","has coordinates","283358","2023-05-05","02:46:40",""
"1567831","4.8045","0.0004","15.5425","0.0015","23.249","0.002","90","","92.476","0.006","90","","1734.5","0.3","300","2","300","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Zheng, Xiaoxin; Han, Quanxiang; Lin, Qinglian; Li, Cuicui; Jiang, Jinke; Guo, Qing; Ye, Xin; Yuan, Wang Zhang; Liu, Yang; Tao, Xutang","A processable, scalable, and stable full-color ultralong afterglow system based on heteroatom-free hydrocarbon doped polymers.","Materials horizons","2023","10","1","197","208","10.1039/d2mh00998f","","","1.54178","CuKα","","0.1179","0.096","","","0.2701","0.2875","","","","","","1.042","","","","has coordinates","281619","2023-03-04","18:50:14",""
"1567867","8.2809","0.0007","22.5668","0.0016","16.3964","0.0018","90","","103.932","0.008","90","","2973.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","",";","","- C28 H37 Cl4 P -","- C28 H37 Cl4 P -","- C112 H148 Cl16 P4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","","0.71073","MoKα","","0.1398","0.0988","","","0.2768","0.3098","","","","","","1.054","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567868","8.8604","0.0009","17.881","0.002","18.306","0.0019","90","","95.479","0.004","90","","2887","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Cl2 N O Ru -","- C31 H43 Cl2 N O Ru -","- C124 H172 Cl8 N4 O4 Ru4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0401","0.0315","","","0.0688","0.0733","","","","","","0.959","","","","has coordinates,has disorder","281311","2023-03-04","17:35:34",""
"1567869","10.4383","0.0014","12.2309","0.0016","13.85","0.002","99.897","0.005","93.661","0.005","99.297","0.005","1711.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H49 Cl4 N O Ru -","- C34 H49 Cl4 N O Ru -","- C68 H98 Cl8 N2 O2 Ru2 -","2","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0799","0.0604","","","0.1505","0.1676","","","","","","1.014","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567870","15.6535","0.0012","12.8229","0.0009","17.9202","0.0015","90","","100.381","0.004","90","","3538.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 N O Ru S2 -","- C36 H45 Cl2 N O Ru S2 -","- C144 H180 Cl8 N4 O4 Ru4 S8 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1636","0.1108","","","0.2393","0.277","","","","","","1.052","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567871","8.7486","0.0006","19.3141","0.0012","43.739","0.003","90","","90","","90","","7390.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 Cl2 N2 O3 Ru -","- C35 H44 Cl2 N2 O3 Ru -","- C280 H352 Cl16 N16 O24 Ru8 -","8","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1072","0.0768","","","0.1562","0.1668","","","","","","1.039","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567872","17.3665","0.0011","11.5707","0.0006","17.4342","0.0011","90","","115.407","0.002","90","","3164.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl2 N2 O3 Ru -","- C33 H40 Cl2 N2 O3 Ru -","- C132 H160 Cl8 N8 O12 Ru4 -","4","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0335","0.0275","","","0.0545","0.0567","","","","","","1.042","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567888","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","281622","2023-03-04","18:50:41",""
"1567889","10.9954","0.0004","10.9954","0.0004","25.0526","0.0014","90","","90","","90","","3028.8","0.2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H28 I6 N4 Pb -","- C16 H28 I6 N4 Pb -","- C64 H112 I24 N16 Pb4 -","4","0.25","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0574","0.0375","","","0.0878","0.0972","","","","","","1.053","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42",""
"1567890","6.3676","0.0005","12.592","0.0007","20.5523","0.0012","90","","96.257","0.004","90","","1638.08","0.18","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 I4 N2 Pb -","- C7 H12 I4 N2 Pb -","- C28 H48 I16 N8 Pb4 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0826","0.0451","","","0.0861","0.1017","","","","","","1.009","","","","has coordinates","281622","2023-03-04","18:50:42",""
"1567891","8.1205","0.0004","9.2677","0.0004","19.9344","0.0008","90","","90","","90","","1500.23","0.12","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","0.5","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0667","0.0505","","","0.1208","0.1347","","","","","","1.096","","","","has coordinates","281622","2023-03-04","18:50:42",""
"1567892","8.703","0.003","8.698","0.003","17.123","0.007","92.942","0.014","101.643","0.013","90.504","0.013","1267.6","0.8","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 I4 N2 O2 Pb -","- C16 H24 I4 N2 O2 Pb -","- C32 H48 I8 N4 O4 Pb2 -","2","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0777","0.0487","","","0.106","0.1178","","","","","","1.059","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42",""
"1567989","12.4827","0.0002","16.0047","0.0003","4.74526","0.00007","90","","90","","90","","948.02","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GAG","Gly-Ala-Gly","","- C7 H13 N3 O4 -","- C7 H13 N3 O4 -","- C28 H52 N12 O16 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.00813","1.395","","","","","","","has coordinates","281617","2023-03-04","18:49:54",""
"1567990","17.1256","0.0002","12.9078","0.0002","4.75585","0.00007","90","","90","","90","","1051.3","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GDG","Gly-asp-Gly","","- C8 H13 N3 O6 -","- C8 H13 N3 O6 -","- C32 H52 N12 O24 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01072","1.343","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567991","11.7071","0.0007","4.7121","0.0002","12.4111","0.0008","90","","104.951","0.006","90","","661.48","0.07","298","2","298","","100","","100","","","","Drexel University","4","P 1 21 1","P 2yb","4","GHG","Gly-Ala-Gly","Gly-His-Gly","- C10 H17 N5 O5 -","- C10 H17 N5 O5 -","- C20 H34 N10 O10 -","2","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.02067","2.376","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567992","4.89638","0.00018","9.6784","0.0003","28.5374","0.0009","90","","90","","90","","1352.36","0.08","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GYG","Gly-Ala-Gly","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01057","2.099","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567995","10.862","0.002","19.566","0.004","12.2","0.002","90","","111.654","0.01","90","","2409.8","0.8","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","compound [RhCl(L1)(P(Ad)2(n-Bu))]","","- C45 H61 Cl4 N O3 P Rh -","- C45 H61 Cl4 N O3 P Rh -","- C90 H122 Cl8 N2 O6 P2 Rh2 -","2","1","","Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael","Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules","Catalysis Science & Technology","2023","13","2","410","425","10.1039/D2CY01578A","","","0.71073","MoKα","","0.0575","0.0457","","","0.1091","0.1155","","","","","","1.041","","","","has coordinates,has disorder","281310","2023-03-04","17:35:18",""
"1567999","19.568","0.004","10.61","0.004","30.314","0.006","90","","90","","90","","6294","3","213","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C20 H30 Cu3 N6 Na O4 S6 -","- C20 H30 Cu3 N6 Na O4 S6 -","- C160 H240 Cu24 N48 Na8 O32 S48 -","8","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0416","0.0318","","","0.0722","0.0747","","","","","","1.443","","","","has coordinates","283159","2023-05-05","01:02:33",""
"1568000","9.7142","0.0007","18.2617","0.0016","13.1518","0.0012","90","","97.378","0.003","90","","2313.8","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 Ni O4 Pd S4 -","- C18 H22 N2 Ni O4 Pd S4 -","- C72 H88 N8 Ni4 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0546","0.0321","","","0.0546","0.0598","","","","","","1.021","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568001","9.7593","0.0007","18.2739","0.0012","13.1854","0.0008","90","","97.317","0.002","90","","2332.3","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co N2 O4 Pd S4 -","- C18 H22 Co N2 O4 Pd S4 -","- C72 H88 Co4 N8 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0431","0.0287","","","0.0514","0.0555","","","","","","1.029","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568002","8.4782","0.0004","12.2733","0.0005","19.6523","0.0008","90","","93.668","0.002","90","","2040.74","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 Ni O6 Pt S4 -","- C13 H16 N2 Ni O6 Pt S4 -","- C52 H64 N8 Ni4 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0465","0.0318","","","0.0637","0.0686","","","","","","1.016","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568003","8.4707","0.001","12.2809","0.0013","19.82","0.002","90","","93.914","0.004","90","","2057","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pt S4 -","- C13 H16 Co N2 O6 Pt S4 -","- C52 H64 Co4 N8 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.033","0.0226","","","0.0391","0.0417","","","","","","1.037","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568004","8.4637","0.0004","12.3085","0.0007","19.8273","0.0011","90","","93.171","0.002","90","","2062.36","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pd S4 -","- C13 H16 Co N2 O6 Pd S4 -","- C52 H64 Co4 N8 O24 Pd4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.043","0.0325","","","0.0693","0.0747","","","","","","1.069","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568005","10.4208","0.0009","10.7638","0.0009","11.9994","0.001","99.167","0.002","94.905","0.002","94.346","0.002","1318.41","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 O2 P -","- C37 H27 O2 P -","- C74 H54 O4 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0968","0.0572","","","0.1114","0.1248","","","","","","1.031","","","","has coordinates","282621","2023-04-13","12:20:28",""
"1568006","9.0075","0.0006","15.4256","0.0007","20.8849","0.0016","90","","93.52","0.002","90","","2896.4","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B F4.03 N P -","- C38 H29 B F3.949 N P -","- C152 H116 B4 F15.796 N4 P4 -","4","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.1432","0.0619","","","0.1245","0.1543","","","","","","1.01","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568007","10.796","0.002","12.644","0.003","12.984","0.003","86.86","0.03","86.71","0.03","79.67","0.03","1739","0.7","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H31 Au B Cl3 F4 N P -","- C39 H31 Au B Cl3 F4 N P -","- C78 H62 Au2 B2 Cl6 F8 N2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0596","0.0419","","","0.0802","0.0858","","","","","","1.021","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568008","8.73","0.0005","13.2735","0.0007","14.5419","0.0008","80.962","0.002","75.294","0.001","80.841","0.002","1597.04","0.15","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H25 Au Cl F3 N O4 P S -","- C34 H25 Au Cl F3 N O4 P S -","- C68 H50 Au2 Cl2 F6 N2 O8 P2 S2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0186","0.017","","","0.0404","0.0412","","","","","","1.043","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568009","8.0558","0.0004","13.0237","0.0006","13.3743","0.0006","89.998","0.001","86.084","0.001","84.721","0.001","1393.94","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 B F4 O P -","- C37 H26 B F4 O P -","- C74 H52 B2 F8 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0734","0.0592","","","0.1518","0.1621","","","","","","1.078","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568010","10.4379","0.0003","12.0326","0.0004","12.5622","0.0004","79.075","0.001","70.549","0.001","74.216","0.001","1423.07","0.08","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Au B Cl O P -","- C36 H26 Au B Cl O P -","- C72 H52 Au2 B2 Cl2 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","x-ray","0.71073","MoKα","","0.0153","0.014","","","0.0326","0.033","","","","","","1.09","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568011","31.863","0.004","9.1593","0.0011","25.398","0.004","90","","113.066","0.007","90","","6819.6","1.6","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C308 H224 Au8 Cl16 F24 O36 P8 S8 -","4","0.5","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0725","0.0406","","","0.0806","0.0941","","","","","","1.033","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568016","14.6467","0.0011","14.7349","0.0012","18.2076","0.0014","90","","90","","90","","3929.5","0.5","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22.31 H21.62 Cl0.62 N3 O2 -","- C22.3114 H21.6228 Cl0.6228 N3 O2 -","- C178.491 H172.982 Cl4.9824 N24 O16 -","8","2","","Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo","Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.","Chemical science","2023","14","2","251","256","10.1039/d2sc05313f","","x-ray","1.34138","GaKα","","0.0385","0.0364","","","0.1036","0.1048","","","","","","1.045","","","","has coordinates,has disorder","281364","2023-03-04","17:54:17",""
"1568017","15.8351","0.0015","23.18","0.002","17.8789","0.0018","90","","103.973","0.004","90","","6368.4","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H70 Br2 Cl2 N2 Ni -","- C77 H70 Br2 Cl2 N2 Ni -","- C308 H280 Br8 Cl8 N8 Ni4 -","4","1","","Yan, Zhengpeng; Chang, Guanru; Zou, Wenping; Luo, Gen; Dai, Shengyu","Synthesis of lightly branched ultrahigh-molecular-weight polyethylene using cationic benzocyclohexyl nickel catalysts","Polymer Chemistry","2023","14","2","183","190","10.1039/D2PY01087A","","","0.71073","MoKα","","0.1312","0.0503","","","0.0757","0.0843","","","","","","1.067","","","","has coordinates","281609","2023-03-04","18:47:36",""
"1568018","7.4068","0.0013","44.744","0.008","8.8243","0.0017","90","","94.435","0.007","90","","2915.7","0.9","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 N2 O3 -","- C31 H53 N2 O3 -","- C124 H212 N8 O12 -","4","1","","Houard, Felix; Cucinotta, Guiseppe; Guizouarn, Thierry; Suffren, Yan; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Artzner, Franck; Mannini, Matteo; Bernot, Kevin","Metallogels: a novel approach for the nanostructuration of single-chain magnets.","Materials horizons","2023","10","2","547","555","10.1039/d2mh01158a","","x-ray","0.71073","MoKα","","0.1548","0.124","","","0.3323","0.3456","","","","","","1.079","","","","has coordinates","281621","2023-03-04","18:50:30",""
"1568021","17.5318","0.0003","17.5318","0.0003","17.5318","0.0003","90","","90","","90","","5388.64","0.16","293","2","293.15","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","1","0.0208333","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0632","0.053","","","0.1725","0.1813","","","","","","1.133","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568022","17.5254","0.0005","17.5254","0.0005","17.5254","0.0005","90","","90","","90","","5382.7","0.3","100","2","100","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C32 H32 Cu F6 N5.33 Si -","- C32 H32 Cu F6 N5.33333 Si -","- C192 H192 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","1.54178","CuKα","","0.0523","0.0514","","","0.1982","0.1993","","","","","","1.19","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568023","17.4998","0.0005","17.4998","0.0005","17.4998","0.0005","90","","90","","90","","5359.2","0.3","101","2","101","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C29 H34 Cu F6 N5.33 Si -","- C29 H34 Cu F6 N5.33333 Si -","- C174 H204 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.1082","0.0926","","","0.2925","0.3134","","","","","","1.106","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568024","17.5051","0.0003","17.5051","0.0003","17.5051","0.0003","90","","90","","90","","5364.06","0.16","102","2","102","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C20 H16 Cu F6 N5.33 Si -","- C20 H16 Cu F6 N5.33333 Si -","- C120 H96 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0457","0.0362","","","0.111","0.1174","","","","","","1.24","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568025","21.815","0.002","24.526","0.003","8.429","0.002","90","","95.275","0.003","90","","4490.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 N5 O4 -","- C59 H51 N5 O4 -","- C236 H204 N20 O16 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61992","synchrotron","","0.0647","0.0536","","","0.1517","0.1642","","","","","","1.088","","","","has coordinates","283161","2023-05-05","01:03:25",""
"1568026","8.3457","0.0003","9.3455","0.0003","17.6411","0.0006","95.16","0.002","99.293","0.002","115.715","0.002","1203.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","1","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0796","0.0684","","","0.1687","0.1819","","","","","","1.055","","","","has coordinates","283161","2023-05-05","01:03:29",""
"1568027","8.2004","0.0005","31.668","0.002","10.204","0.0007","90","","99.25","0.003","90","","2615.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C144 H112 N8 O8 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.1092","0.0981","","","0.2526","0.2588","","","","","","1.152","","","","has coordinates","283161","2023-05-05","01:03:36",""
"1568028","16.7768","0.0015","17.5515","0.0016","17.6585","0.0016","104.872","0.006","90.047","0.005","109.465","0.006","4717","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C240 H208 N16 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.2027","0.1799","","","0.4843","0.4979","","","","","","1.059","","","","has coordinates","283161","2023-05-05","01:03:47",""
"1568029","8.202","0.009","14.428","0.005","24.669","0.01","90.012","0.004","85.889","0.011","90.023","0.014","2912","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H65 N3 O4 -","- C79 H65 N3 O4 -","- C158 H130 N6 O8 -","2","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61991","synchrotron","","0.2304","0.1799","","","0.5023","0.542","","","","","","1.04","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47",""
"1568030","16.958","0.0011","17.1701","0.0011","17.8837","0.0011","104.311","0.002","109.776","0.002","90.172","0.002","4726.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H53 N3 O4 -","- C61 H53 N3 O4 -","- C244 H212 N12 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0752","0.0725","","","0.1982","0.1998","","","","","","1.061","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47",""
"1568031","16.9139","0.0013","14.088","0.0011","17.1758","0.0014","90","","99.958","0.002","90","","4031","0.6","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl2 N7 O10 Sm -","- C37 H44 Cl2 N7 O10 Sm -","- C148 H176 Cl8 N28 O40 Sm4 -","4","1","","Zhang, Chengjian; Li, Sichen; Zheng, Ruijie; Tai, Shengdi; Yang, Kang; Zhang, Kun","Highly selective and discriminative detection of small alcohols based on a dual-emission macrocyclic samarium complex.","Analytical methods : advancing methods and applications","2023","15","3","361","367","10.1039/d2ay01591a","","","0.71073","MoKα","","0.0605","0.0358","","","0.0673","0.076","","","","","","1.047","","","","has coordinates","281308","2023-03-04","17:34:59",""
"1568032","29.0838","0.0011","16.4902","0.0008","38.9836","0.0011","90","","94.942","0.003","90","","18626.9","1.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F6 N4 O4 P5 Re2 -","- C84 H80 F6 N4 O4 P5 Re2 -","- C672 H640 F48 N32 O32 P40 Re16 -","8","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.141","0.0894","","","0.247","0.2719","","","","","","1.073","","","","has coordinates","281401","2023-03-04","18:06:45",""
"1568033","18.8254","0.0003","23.1045","0.0003","33.0343","0.0004","101.307","0.001","101.064","0.001","112.648","0.001","12422.4","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C336 H320 N16 O96 P16 Re8 Si2 W24 -","2","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.0629","0.0498","","","0.1463","0.1533","","","","","","1.08","","","","has coordinates","281401","2023-03-04","18:06:45",""
"1568041","7.6531","0.0005","10.1518","0.0007","18.1461","0.0013","90","","90","","90","","1409.82","0.17","219","","219","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","1.54178","CuKα","","0.0242","0.0233","","","0.0611","0.0617","","","","","","1.091","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568042","7.6856","0.0003","10.0965","0.0004","18.0404","0.0008","90","","90","","90","","1399.89","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","0.71073","MoKα","","0.0358","0.0342","","","0.0863","0.0877","","","","","","1.076","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568044","11.4709","0.0016","9.6054","0.0015","10.811","0.002","90","","90","","90","","1191.2","0.3","193","","193","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C15 H12 B3 N3 O3 -","- C15 H12 B3 N3 O3 -","- C30 H24 B6 N6 O6 -","2","0.25","","Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu","Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.","Chemical science","2023","14","3","533","539","10.1039/d2sc06016g","","","0.71073","MoKα","","0.113","0.0689","","","0.1892","0.2157","","","","","","1.041","","","","has coordinates","281398","2023-03-04","18:05:31",""
"1568045","10.6821","0.0002","12.0842","0.0001","17.057","0.0002","93.142","0.001","105.229","0.001","97.685","0.001","2096.06","0.05","100.2","0.5","100.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C51 H58 O5 -","- C51 H58 O5 -","- C102 H116 O10 -","2","2","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.063","0.0541","","","0.1401","0.1667","","","","","","1.085","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568046","9.359","0.0001","12.7052","0.0001","18.7749","0.0001","80.266","0.001","79.829","0.001","76.85","0.001","2120.34","0.03","172.99","0.1","172.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H56 O5 -","- C51 H56 O5 -","- C102 H112 O10 -","2","1","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.0683","0.062","","","0.1623","0.1663","","","","","","1.078","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568047","17.8746","0.0012","9.0854","0.0005","18.3865","0.0012","90","","90","","90","","2985.9","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Hf(Cp'')2Cl2]","","- C22 H42 Cl2 Hf Si4 -","- C22 H42 Cl2 Hf Si4 -","- C88 H168 Cl8 Hf4 Si16 -","4","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0964","0.0533","","","0.1095","0.1303","","","","","","1.064","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568048","10.7367","0.0003","11.5169","0.0003","13.3589","0.0004","73.257","0.003","83.329","0.002","78.423","0.002","1546.66","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[{Nd(Cp'')2(uI)}2]","","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0391","0.0374","","","0.098","0.0993","","","","","","1.058","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568049","10.2297","0.0002","23.3116","0.0004","18.6778","0.0004","90","","101.213","0.002","90","","4369.08","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","[Ti(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Ti -","- C31 H69 Si8 Ti -","- C124 H276 Si32 Ti4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.031","0.0279","","","0.0696","0.0708","","","","","","1.033","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568050","17.9162","0.001","13.3218","0.0007","20.3331","0.0016","90","","111.465","0.008","90","","4516.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[La(C5H3(1,3-SiMe))2{Si(SiMe3)3}]","","- C31 H69 La Si8 -","- C31 H69 La Si8 -","- C124 H276 La4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0802","0.0604","","","0.1375","0.1479","","","","","","1.135","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568051","10.6833","0.0004","11.4914","0.0004","13.2297","0.0005","73.117","0.004","83.273","0.003","78.875","0.004","1521.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[U(C5H3(1,3-SiMe3))2(I)]2","","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0454","0.0441","","","0.114","0.1151","","","","","","1.035","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568052","17.8079","0.0006","13.2758","0.0003","20.3529","0.0006","90","","111.045","0.003","90","","4490.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Ce(C5H3-1,3-SiMe3)2{Si(SiMe3)3}]","","- C31 H69 Ce Si8 -","- C31 H69 Ce Si8 -","- C124 H276 Ce4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0712","0.0679","","","0.1921","0.1936","","","","","","1.103","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568053","37.0378","0.0004","11.7708","0.0001","20.1996","0.0003","90","","90","","90","","8806.31","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","[Zr(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Zr -","- C31 H69 Si8 Zr -","- C248 H552 Si64 Zr8 -","8","2","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0425","0.0398","","","0.1029","0.1045","","","","","","1.045","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568054","17.9833","0.0008","13.2292","0.0005","20.4047","0.0013","90","","111.407","0.006","90","","4519.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[U(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 U -","- C31 H69 Si8 U -","- C124 H276 Si32 U4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0621","0.0503","","","0.1228","0.1288","","","","","","1.041","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568055","17.7679","0.0005","13.2234","0.0003","20.37","0.0006","90","","110.891","0.003","90","","4471.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Nd(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Nd Si8 -","- C31 H69 Nd Si8 -","- C124 H276 Nd4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0704","0.068","","","0.2133","0.2147","","","","","","1.119","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568056","20.1187","0.0009","16.7884","0.0009","8.3834","0.0003","90","","102.468","0.004","90","","2764.8","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O2 -","- C18 H15 N2 O2 -","- C144 H120 N16 O16 -","8","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0972","0.0541","","","0.1329","0.1605","","","","","","1.052","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568057","8.0994","0.0003","11.7159","0.0008","21.0793","0.0012","102.21","0.005","97.445","0.004","96.128","0.004","1919.86","0.19","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cl2 N4 O4 -","- C50 H34 Cl2 N4 O4 -","- C100 H68 Cl4 N8 O8 -","2","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1216","0.084","","","0.2193","0.2513","","","","","","1.035","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568058","9.5098","0.0002","20.5556","0.0003","15.4387","0.0002","90","","95.024","0.002","90","","3006.36","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co N2 O2 -","- C39 H33 Co N2 O2 -","- C156 H132 Co4 N8 O8 -","4","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0761","0.0685","","","0.1925","0.2028","","","","","","1.033","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568059","34.9018","0.0013","59.974","0.003","7.6088","0.0003","90","","90","","90","","15926.7","1.2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C52 H49 N4 O4 -","- C52 H49 N4 O4 -","- C832 H784 N64 O64 -","16","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1163","0.0706","","","0.1505","0.1863","","","","","","1.015","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568061","8.7151","0.0003","9.8582","0.0003","14.979","0.0004","109.017","0.001","94.596","0.001","107.711","0.001","1135.83","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sorazolon E2","1,1',2,2'-Tetramethyl-9H,9'H-[4,4'-bicarbazole]-3,3'-diol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0641","0.0573","","","0.1551","0.1624","","","","","","1.028","","","","has coordinates","283160","2023-05-05","01:02:57",""
"1568062","29.489","0.007","29.489","","20.678","0.005","90","","90","","90","","17982","6","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]","","- C88 H4 F56 Fe2 N8 O3 -","- C88 F56 Fe2 N8 O3 -","- C704 F448 Fe16 N64 O24 -","8","0.5","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0656","0.0461","","","0.1364","0.1568","","","","","","1.076","","","","has coordinates","283160","2023-05-05","01:03:00",""
"1568063","15.496","0.0001","15.496","0.0001","53.7557","0.0007","90","","90","","120","","11178.8","0.18","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H104 O24 Ti6 -","- C54.9999 H104 O24 Ti6 -","- C329.999 H623.999 O144 Ti36 -","6","0.333333","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.1274","0.1217","","0.3993","0.3932","0.394","","","","","","1.9014","","","","has coordinates,has disorder","281395","2023-03-04","18:03:45",""
"1568064","13.2495","0.0003","13.414","0.0004","14.7584","0.0004","63.032","0.003","64.038","0.002","65.591","0.003","2024.99","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H61 O13 Ti3 -","- C30.5 H61 O13 Ti3 -","- C61 H122 O26 Ti6 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0776","0.0631","","0.1734","0.1638","0.1734","","","","","","1.007","","","","has coordinates,has disorder","281395","2023-03-04","18:03:55",""
"1568065","21.4239","0.0002","15.2022","0.0002","25.1197","0.0003","90","","90","","90","","8181.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H67.75 O11 Ti2 -","- C31 H67.75 O11 Ti2 -","- C248 H542 O88 Ti16 -","8","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0877","0.0789","","0.2302","0.2212","0.2302","","","","","","0.987","","","","has coordinates,has disorder","281395","2023-03-04","18:04:05",""
"1568066","11.4703","0.0002","12.9048","0.0002","22.7941","0.0004","84.7647","0.0014","87.1313","0.0013","76.867","0.0015","3270.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O24 Ti6 -","- C48 H96 O24 Ti6 -","- C96 H192 O48 Ti12 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0611","0.0556","","0.1559","0.1518","0.1559","","","","","","0.9973","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15",""
"1568067","14.4104","0.0003","20.6054","0.0007","24.3253","0.0006","90","","97.146","0.002","90","","7166.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti6O6(OiPr)4(pyridine)(O2)(O2CCMe3)6","","- C47.57 H88.14 Cl1.14 N O24 Ti6 -","- C47.568 H88.136 Cl1.136 N O24 Ti6 -","- C190.272 H352.544 Cl4.544 N4 O96 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.5418","CuKα","","0.1337","0.1089","","0.2815","0.26","0.2815","","","","","","1.0047","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15",""
"1568068","14.5668","0.0001","24.3499","0.0001","21.7724","0.0001","90","","106.66","0.0005","90","","7398.48","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H100 N2 O22 Ti6 -","- C59 H100 N2 O22 Ti6 -","- C236 H400 N8 O88 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.064","0.0627","","0.169","0.1679","0.169","","","","","","1.0227","","","","has coordinates","281395","2023-03-04","18:04:15",""
"1568069","11.7156","0.0001","11.7156","0.0001","76.442","0.0006","90","","90","","120","","9086.4","0.13","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H68 F N4 O13.2 S1.6 -","- C54 H67.9998 F N4 O13.1998 S1.5999 -","- C324 H407.999 F6 N24 O79.1988 S9.5994 -","6","0.333333","","Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.","Turn-on fluorescent capsule for selective fluoride detection and water purification.","Chemical science","2023","14","2","291","297","10.1039/d2sc05352g","","x-ray","1.54184","CuKα","","0.0914","0.0881","","","0.2744","0.2794","","","","","","1.05","","","","has coordinates,has disorder","281369","2023-03-04","17:56:03",""
"1568070","20.7149","0.0013","18.0468","0.0008","19.5556","0.0013","90","","107.343","0.007","90","","6978.3","0.8","199.99","0.1","199.99","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C48 H108 Cl12 Cu3 N6 -","- C48 H108 Cl12 Cu3 N6 -","- C192 H432 Cl48 Cu12 N24 -","4","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","1.54184","CuKα","","0.0743","0.064","","","0.1851","0.194","","","","","","1.097","","","","has coordinates","281489","2023-03-04","18:27:17",""
"1568071","12.655","0.0003","7.1832","0.0002","13.9997","0.0003","90","","94.341","0.002","90","","1268.97","0.05","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0233","0.0222","","","0.0521","0.0526","","","","","","1.04","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19",""
"1568072","12.6402","0.0004","7.1773","0.0002","14.0019","0.0004","90","","94.296","0.003","90","","1266.72","0.06","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0295","0.0277","","","0.063","0.064","","","","","","1.033","","","","has coordinates","281489","2023-03-04","18:27:19",""
"1568073","20.4795","0.0005","18.1694","0.0004","19.6068","0.0006","90","","107.039","0.003","90","","6975.5","0.3","200","0.1","200","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C48 H108 Cl12 Cu3 N6 -","- C48 H108 Cl12 Cu3 N6 -","- C192 H432 Cl48 Cu12 N24 -","4","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.055","0.0398","","","0.1078","0.1144","","","","","","1.089","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19",""
"1568080","16.249","0.0005","10.644","0.0003","19.0878","0.0005","90","","96.071","0.003","90","","3282.8","0.16","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 Mg2 O6 -","- C70 H108 Mg2 O6 -","- C140 H216 Mg4 O12 -","2","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.0904","0.0659","","","0.1699","0.1828","","","","","","1.044","","","","has coordinates,has disorder","281397","2023-03-04","18:05:23",""
"1568081","13.2993","0.0004","14.9598","0.0004","23.1561","0.0007","90","","92.864","0.003","90","","4601.3","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 Na2 O6 -","- C47 H78 Na2 O6 -","- C188 H312 Na8 O24 -","4","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.08","0.0572","","","0.1358","0.1463","","","","","","1.016","","","","has coordinates","281397","2023-03-04","18:05:23",""
"1568082","11.8219","0.0004","13.2826","0.0004","16.6908","0.0005","93.563","0.003","98.612","0.003","99.221","0.003","2547.86","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H56 Mo N4 O -","- C59.5 H56 Mo N4 O -","- C119 H112 Mo2 N8 O2 -","2","1","","Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L.","Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes.","Faraday discussions","2023","243","0","429","449","10.1039/d2fd00166g","","","1.54184","CuKα","","0.0709","0.0639","","","0.1897","0.1955","","","","","","1.057","","","","has coordinates,has disorder","286136","2023-09-05","19:55:43",""
"1568083","19.8644","0.001","25.0963","0.0009","11.9054","0.0009","90","","105.033","0.007","90","","5732","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H68 Cl2 Mo N4 -","- C70 H68 Cl2 Mo N4 -","- C280 H272 Cl8 Mo4 N16 -","4","0.5","","Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L.","Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes.","Faraday discussions","2023","243","0","429","449","10.1039/d2fd00166g","","","1.54184","CuKα","","0.1623","0.0974","","","0.2362","0.2844","","","","","","1.033","","","","has coordinates,has disorder","286136","2023-09-05","19:55:43",""
"1568084","9.0104","0.0004","13.7067","0.0005","24.3591","0.0009","84.789","0.003","81.573","0.003","89.49","0.003","2963.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 N4 O7 S2 -","- C68 H62 N4 O7 S2 -","- C136 H124 N8 O14 S4 -","2","1","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","x-ray","1.54186","CuKα","","0.0751","0.048","","","0.114","0.1246","","","","","","1.033","","","","has coordinates","281367","2023-03-04","17:55:27",""
"1568085","9.561","0.006","10.771","0.01","32.42","0.02","89.714","0.012","83.055","0.008","76.393","0.007","3220","4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34.5 N2 O4.5 S -","- C35 H34.5 N2 O4.5 S -","- C140 H138 N8 O18 S4 -","4","2","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","","0.71073","MoKα","","0.2812","0.1398","","","0.3571","0.4413","","","","","","1.108","","","","has coordinates","281367","2023-03-04","17:55:27",""
"1568086","8.8587","0.0016","10.6137","0.0019","14.364","0.003","90.75","0.003","90.402","0.003","96.359","0.003","1342.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Au Cl N O2 P -","- C32 H26 Au Cl N O2 P -","- C64 H52 Au2 Cl2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0535","0.0427","","","0.0802","0.0827","","","","","","0.945","","","","has coordinates","281399","2023-03-04","18:05:55",""
"1568087","8.686","0.0018","10.558","0.002","15.503","0.003","80.834","0.003","74.403","0.004","89.873","0.004","1350.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Au N O2 P -","- C33 H29 Au N O2 P -","- C66 H58 Au2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0459","0.0385","","","0.077","0.079","","","","","","0.967","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568088","13.325","0.005","12.768","0.005","16.802","0.007","90","","102.997","0.007","90","","2785.4","1.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Au O2 P -","- C31 H32 Au O2 P -","- C124 H128 Au4 O8 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0896","0.074","","","0.1663","0.1743","","","","","","1.011","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568089","11.632","0.003","11.016","0.003","20.856","0.005","90","","100.801","0.005","90","","2625.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Au F2 O3 P -","- C31 H22 Au F2 O3 P -","- C124 H88 Au4 F8 O12 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0811","0.052","","","0.0944","0.1035","","","","","","0.923","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568090","16.005","0.006","12.135","0.004","16.626","0.006","90","","99.248","0.006","90","","3187","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl N O4 P -","- C37 H30 Au Cl N O4 P -","- C148 H120 Au4 Cl4 N4 O16 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0578","0.0426","","","0.091","0.0952","","","","","","0.987","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568091","13.2107","0.0004","12.0368","0.0004","17.3384","0.0006","90","","96.519","0.002","90","","2739.23","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H28 Au O3 P -","- C32 H28 Au O3 P -","- C128 H112 Au4 O12 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","1.54178","CuKα","","0.0526","0.0486","","","0.1243","0.1273","","","","","","1.055","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568092","11.146","0.002","24.058","0.005","42.262","0.008","90","","90","","90","","11333","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Au Cl2 N O2 P -","- C32 H25 Au Cl2 N O2 P -","- C512 H400 Au16 Cl32 N16 O32 P16 -","16","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.1027","0.0619","","","0.0949","0.1032","","","","","","1.072","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568093","13.545","0.003","11.373","0.003","27.757","0.006","90","","100.052","0.004","90","","4210.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Au O3 P -","- C25 H20 Au O3 P -","- C200 H160 Au8 O24 P8 -","8","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.058","0.0395","","","0.0737","0.0773","","","","","","0.964","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568094","7.1094","0.0002","8.1861","0.0003","9.3662","0.0003","92.147","0.003","94.856","0.002","90.442","0.003","542.73","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C18 H10 F2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0145","0.0145","","","0.0358","0.0358","","","","","","1.201","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568095","11.9487","0.0003","6.8332","0.0002","16.0682","0.0004","90","","108.801","0.003","90","","1241.93","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C40 H32 N4 O28 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0337","0.0309","","","0.0896","0.0939","","","","","","1.124","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568096","24.2151","0.0002","10.2839","0.0001","11.5557","0.0001","90","","90.506","0.001","90","","2877.55","0.04","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F6 N2 O15 Re2 -","- C20 H16 F6 N2 O15 Re2 -","- C80 H64 F24 N8 O60 Re8 -","4","0.5","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.025","0.0249","","","0.0651","0.0652","","","","","","1.164","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568097","9.3367","0.0001","11.1259","0.0001","22.22","0.0002","90","","99.672","0.001","90","","2275.39","0.04","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C72 H40 Cl8 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0136","0.0134","","","0.033","0.0336","","","","","","1.289","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568098","10.0882","0.0002","19.6105","0.0003","12.6146","0.0003","90","","112.846","0.003","90","","2299.83","0.09","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C72 H40 F8 N8 O48 Re8 -","8","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0264","0.0264","","","0.0628","0.0629","","","","","","1.276","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568099","8.2553","0.0001","7.1514","0.0001","19.0448","0.0002","90","","92.838","0.001","90","","1122.97","0.02","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C36 H20 Cl4 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0194","0.0193","","","0.0519","0.0519","","","","","","1.227","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568100","25.3206","0.0006","11.8306","0.0002","9.3609","0.0002","90","","121.786","0.003","90","","2383.57","0.12","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C80 H64 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0661","0.0668","","","","","","1.102","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568101","9.2924","0.0002","11.1464","0.0003","22.2675","0.0006","90","","100.09","0.002","90","","2270.73","0.1","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 N O6 Re -","- C10 H8 N O6 Re -","- C80 H64 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0645","","","","","","1.089","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568102","22.7527","0.0002","10.614","0.0001","21.7337","0.0002","90","","109.916","0.001","90","","4934.72","0.08","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 N2 O13 Re2 -","- C20 H18 N2 O13 Re2 -","- C160 H144 N16 O104 Re16 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0183","0.0179","","","0.0429","0.0431","","","","","","1.141","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568103","24.6859","0.0003","11.4192","0.0001","9.1451","0.0002","90","","97.31","0.001","90","","2556.99","0.07","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0205","0.0204","","","0.0519","0.0519","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568104","6.7986","0.0001","18.177","0.0003","9.6514","0.0001","90","","94.971","0.001","90","","1188.22","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N2 O8 Re -","- C9 H5 N2 O8 Re -","- C36 H20 N8 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0214","0.0212","","","0.0554","0.0556","","","","","","1.225","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568105","6.3055","0.0002","9.8069","0.0002","10.5545","0.0002","102.051","0.002","100.494","0.002","105.893","0.002","593.68","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C18 H10 Cl2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0187","0.0185","","","0.048","0.0482","","","","","","1.109","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568106","6.4225","0.0001","10.7862","0.0003","18.6703","0.0005","83.339","0.002","85.503","0.002","79.429","0.002","1260.68","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0162","0.0146","","","0.0331","0.0336","","","","","","1.023","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568107","24.23071","0.00018","11.28656","0.00008","8.98742","0.00007","90","","98.0757","0.0008","90","","2433.52","0.03","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N2 O7 Re -","- C9 H9 N2 O7 Re -","- C72 H72 N16 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0705","0.0706","","","","","","1.252","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568108","9.8967","0.0003","10.5952","0.0003","12.8653","0.0002","106.448","0.002","105.596","0.003","103.191","0.003","1176.62","0.07","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N2 O15 Re2 -","- C18 H14 N2 O15 Re2 -","- C36 H28 N4 O30 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0234","0.0221","","","0.0562","0.0565","","","","","","1.182","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568109","6.4668","0.0001","24.4678","0.0003","8.2183","0.0001","90","","102.605","0.001","90","","1269.03","0.03","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N2 O9 Re -","- C9 H7 N2 O9 Re -","- C36 H28 N8 O36 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0774","0.0777","","","","","","1.257","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568110","10.5868","0.0002","13.477","0.0003","18.0923","0.0003","82.284","0.002","87.527","0.001","68.815","0.002","2385.09","0.09","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N4 O13 Re2 -","- C18 H16 N4 O13 Re2 -","- C72 H64 N16 O52 Re8 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0157","0.015","","","0.0353","0.0355","","","","","","1.142","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568111","8.8821","0.0001","11.136","0.0002","26.399","0.0004","90","","93.457","0.001","90","","2606.4","0.07","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0165","0.0164","","","0.0419","0.042","","","","","","1.156","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568112","12.926","0.0001","6.8177","0.0001","15.2153","0.0002","90","","112.206","0.001","90","","1241.41","0.03","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0173","0.0167","","","0.0436","0.044","","","","","","1.117","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568113","10.5413","0.0001","6.8478","0.0001","17.1068","0.0002","90","","103.515","0.001","90","","1200.65","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N O8 Re -","- C10 H6 N O8 Re -","- C40 H24 N4 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0232","0.0232","","","0.0595","0.0595","","","","","","1.274","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568114","24.6135","0.0001","11.2159","0.0001","9.5651","0.0001","90","","94.071","0.001","90","","2633.9","0.04","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0123","0.0123","","","0.0309","0.0309","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568115","9.7973","0.0002","10.6398","0.0003","12.744","0.0003","78.502","0.002","68.184","0.002","73.235","0.002","1174.53","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F2 N2 O13 Re2 -","- C19 H14 F2 N2 O13 Re2 -","- C38 H28 F4 N4 O26 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0221","0.0191","","","0.0483","0.0495","","","","","","1.068","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568116","9.1881","0.0001","11.0679","0.0001","25.0097","0.0003","90","","97.989","0.001","90","","2518.63","0.05","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0228","0.0222","","","0.0574","0.0575","","","","","","1.203","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568117","12.1358","0.0001","18.6012","0.0001","16.1266","0.0001","90","","90.297","0.001","90","","3640.38","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N6 O25 Re3 -","- C27 H17 N6 O25 Re3 -","- C108 H68 N24 O100 Re12 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0445","0.0446","","","","","","1.263","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568118","10.938","0.0003","11.4782","0.0003","12.8234","0.0003","101.726","0.002","111.1","0.003","109.637","0.003","1314.84","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N4 O15 Re2 -","- C20 H16 N4 O15 Re2 -","- C40 H32 N8 O30 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0201","0.0198","","","0.0563","0.0566","","","","","","1.135","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568119","9.0438","0.0001","11.1598","0.0002","23.9385","0.0004","90","","96.213","0.001","90","","2401.85","0.06","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H7 F N O7 Re -","- C9 H7 F N O7 Re -","- C72 H56 F8 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.018","0.0174","","","0.0463","0.0467","","","","","","1.154","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568120","7.2397","0.0003","8.0044","0.0004","9.5362","0.0002","88.048","0.003","76.353","0.003","84.465","0.004","534.48","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N O7 Re -","- C9 H6 N O7 Re -","- C18 H12 N2 O14 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0226","0.0218","","","0.0584","0.0589","","","","","","1.126","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568121","10.3332","0.0003","6.6448","0.0002","17.7601","0.0004","90","","102.862","0.002","90","","1188.85","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N2 O6 Re -","- C10 H5 N2 O6 Re -","- C40 H20 N8 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0512","0.0512","","","","","","1.15","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568122","22.88","0.0002","9.9814","0.0001","20.3649","0.0002","90","","91.591","0.001","90","","4649.03","0.08","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C144 H80 Cl16 N16 O96 Re16 -","16","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0156","0.0152","","","0.0355","0.0356","","","","","","1.238","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568123","9.5855","0.0004","11.0763","0.0005","13.1896","0.0007","90","","99.386","0.004","90","","1381.62","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Al N Na O -","- C11 H17 Al N Na O -","- C44 H68 Al4 N4 Na4 O4 -","4","1","","Damián, Jesús; Rentero, Christian; Echeverría, Jorge; Mosquera, Marta E. G.","Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions.","Faraday discussions","2023","244","0","294","305","10.1039/d2fd00144f","","x-ray","0.71073","MoKα","","0.0754","0.042","","","0.1043","0.114","","","","","","1.031","","","","has coordinates","286132","2023-09-05","19:54:38",""
"1568124","13.6795","0.0003","17.7174","0.0003","9.9143","0.0002","90","","90","","90","","2402.88","0.08","179.99","0.1","179.99","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H36 Br2 Eu N2 O6 -","- C18 H36 Br2 Eu N2 O6 -","- C72 H144 Br8 Eu4 N8 O24 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0218","0.0196","","","0.0382","0.0387","","","","","","1.01","","","","has coordinates","281623","2023-03-04","18:51:23",""
"1568125","16.7005","0.001","11.9358","0.0004","16.9034","0.0008","90","","108.602","0.006","90","","3193.4","0.3","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.65 H45.3 Br4 Eu Mn N2 O8 -","- C20.65 H45.3 Br4 Eu Mn N2 O8 -","- C82.6 H181.2 Br16 Eu4 Mn4 N8 O32 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0735","0.0621","","","0.1473","0.1524","","","","","","1.065","","","","has coordinates,has disorder","281623","2023-03-04","18:51:26",""
"1568126","11.5435","0.0004","20.2186","0.0005","13.5459","0.0005","90","","91.42","0.003","90","","3160.55","0.18","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H45.11 Br2.89 Mn N2 O9.11 Sr -","- C20 H45.11 Br2.89 Mn N2 O9.11 Sr -","- C80 H180.44 Br11.56 Mn4 N8 O36.44 Sr4 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0971","0.0482","","","0.0945","0.1083","","","","","","1.021","","","","has coordinates,has disorder","281623","2023-03-04","18:51:29",""
"1568127","14.04743","0.00016","14.65564","0.00016","31.3669","0.0004","90","","102.744","0.0012","90","","6298.56","0.13","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br4 Eu N2 O8 Zn -","- C20 H44 Br4 Eu N2 O8 Zn -","- C160 H352 Br32 Eu8 N16 O64 Zn8 -","8","2","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent Eu<sup>II</sup>-Mn<sup>II</sup> heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0405","0.0286","","","0.0524","0.0551","","","","","","1.017","","","","has coordinates","281623","2023-03-04","18:51:30",""
"1568128","18.6378","0.0006","9.1309","0.0003","10.6136","0.0003","90","","90","","90","","1806.22","0.1","303","","303","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd Rb2 S10 Si4 -","- Cd Rb2 S10 Si4 -","- Cd4 Rb8 S40 Si16 -","4","1","","Zhou, Jiazheng; Fan, Zhongxu; Zhang, Kewang; Yang, Zhihua; Pan, Shilie; Li, Junjie","Rb<sub>2</sub>CdSi<sub>4</sub>S<sub>10</sub>: novel [Si<sub>4</sub>S<sub>10</sub>] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap.","Materials horizons","2023","10","2","619","624","10.1039/d2mh01200f","","","0.71073","MoKα","","0.0331","0.0265","","","0.0564","0.0638","","","","","","0.9","","","","has coordinates","281620","2023-03-04","18:50:21",""
"1568129","7.4324","0.0005","14.6018","0.0014","16.6369","0.0014","109.684","0.008","98.078","0.007","93.683","0.007","1671.1","0.3","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","0.71073","MoKα","","0.1649","0.0887","","","0.2223","0.2772","","","","","","1.027","","","","has coordinates","281400","2023-03-04","18:06:06",""
"1568130","5.438","0.0001","17.7484","0.0005","19.3921","0.0006","90","","91.455","0.002","90","","1871.04","0.09","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N -","- C22 H22 N -","- C88 H88 N4 -","4","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","1.54184","CuKα","","0.0936","0.0814","","","0.2371","0.2466","","","","","","1.062","","","","has coordinates","281400","2023-03-04","18:06:06",""
"1568131","8.2861","0.0015","5.4731","0.001","20.821","0.004","90","","93.606","0.005","90","","942.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-cyanophenyl)-N-hydroxymethanesulfonamide","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun","EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts.","Chemical science","2023","14","3","525","532","10.1039/d2sc06087f","","","1.54178","CuKα","","0.0342","0.0338","","","0.092","0.0925","","","","","","1.088","","","","has coordinates","283192","2023-05-05","01:14:18",""
"1568132","20.8417","0.0011","21.4892","0.0012","23.9061","0.0012","86.621","0.004","66.127","0.005","71.885","0.005","9277.9","1","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","1","0.5","","Sun, Xueli; Tang, Xiongkai; Gao, Yan-Li; Zhao, Yujuan; Wu, Qingyuan; Cao, Dongxu; Shen, Hui","An atomically precise Ag<sub>18</sub>Cu<sub>8</sub> nanocluster with rich alkynyl-metal coordination structures and unique SbF<sub>6</sub><sup>-</sup> assembling modes.","Nanoscale","2023","15","5","2316","2322","10.1039/d2nr05814f","","x-ray","1.54184","CuKα","","0.1912","0.1213","","","0.2877","0.3935","","","","","","1.015","","","","has coordinates,has disorder","281488","2023-03-04","18:26:43",""
"1568133","14.8239","0.0006","21.1789","0.0006","17.2427","0.0008","90","","107.318","0.005","90","","5168","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U{(μ-H)3IrCp*}4","","- C46 H74 Ir4 U -","- C46 H74 Ir4 U -","- C184 H296 Ir16 U4 -","4","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.04","0.0376","","","0.0949","0.0956","","","","","","1.389","","","","has coordinates,has disorder","283156","2023-05-05","00:59:58",""
"1568134","13.6424","0.0017","19.07","0.002","17.52","0.002","90","","102.339","0.006","90","","4452.7","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Th{[(μ-H2)(H)IrCp*]2[(μ-H)3IrCp*]2}","","- C40 H60 Ir4 Th -","- C40 H60 Ir4 Th -","- C160 H240 Ir16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","","0.7288","synchrotron","","0.1052","0.0625","","","0.143","0.175","","","","","","1.037","","","","has coordinates","283156","2023-05-05","00:59:58",""
"1568135","12.0833","0.0002","15.2848","0.0002","18.5723","0.0003","93.815","0.001","98.607","0.001","93.365","0.001","3375.78","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","{U[(μ2-H3)IrCp*]2[(μ3-H2)IrCp*]}2","","- C60 H90 Ir6 U2 -","- C60 H90 Ir6 U2 -","- C120 H180 Ir12 U4 -","2","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.0297","0.0243","","","0.0579","0.0596","","","","","","1.015","","","","has coordinates","283156","2023-05-05","00:59:58",""
"1568164","9.1046","0.0007","7.8073","0.0006","15.404","0.0011","90","","101.618","0.007","90","","1072.52","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","1","0.5","","Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen","An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.","Chemical science","2023","14","5","1123","1131","10.1039/d2sc06181c","","","1.54184","CuKα","","0.0483","0.0412","","","0.1002","0.1058","","","","","","0.995","","","","has coordinates","281351","2023-03-04","17:50:34",""
"1568165","22.1273","0.0009","22.1273","0.0009","62.674","0.004","90","","90","","120","","26575","2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C256 H432 Fe4 N28 O186 S12 -","- C192 H174 Fe4 N24 O90 S12 -","- C576 H522 Fe12 N72 O270 S36 -","3","0.333333","","Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M.","Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities.","Chemical science","2023","14","4","1018","1026","10.1039/d2sc05689e","","x-ray","0.71073","MoKα","K-L~3~","0.1235","0.0858","","","0.2421","0.2881","","","","","","1.036","","","","has coordinates,has disorder","281360","2023-03-04","17:52:56",""
"1568166","17.659","0.0002","8.3859","0.0001","17.8047","0.0002","90","","92.68","0.001","90","","2633.75","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H28 O6 -","- C33.5 H28 O6 -","- C134 H112 O24 -","4","1","","Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H.","A bioinspired, one-step total synthesis of peshawaraquinone.","Chemical science","2023","14","4","950","954","10.1039/d2sc05377b","","x-ray","1.54184","CuKα","","0.0626","0.0572","","","0.149","0.1535","","","","","","1.008","","","","has coordinates,has disorder","283157","2023-05-05","01:00:18",""
"1568167","20.621","0.004","16.428","0.003","11.715","0.002","90","","93.68","0.03","90","","3960.4","1.3","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H56 N10 -","- C42 H56 N10 -","- C168 H224 N40 -","4","1","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","1.54186","CuKα","","0.0563","0.0417","","","0.0934","0.0982","","","","","","1.017","","","","has coordinates","286129","2023-09-05","19:53:57",""
"1568168","15.937","0.003","16.75","0.003","17.048","0.003","89.73","0.03","86.39","0.03","86.79","0.03","4534.7","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Br2 Cu2 N10 -","- C42 H56 Br2 Cu2 N10 -","- C168 H224 Br8 Cu8 N40 -","4","2","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.1085","0.0645","","","0.1548","0.1703","","","","","","0.956","","","","has coordinates","286129","2023-09-05","19:53:58",""
"1568169","15.889","0.014","17.074","0.015","17.838","0.015","90.35","0.02","93.73","0.02","92.86","0.02","4823","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cu2 I2 N10 -","- C42 H56 Cu2 I2 N10 -","- C168 H224 Cu8 I8 N40 -","4","2","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","","0.71073","MoKα","","0.1041","0.0692","","","0.1671","0.1889","","","","","","1.019","","","","has coordinates","286129","2023-09-05","19:53:58",""
"1568170","17.15","0.003","20.445","0.004","18.975","0.004","90","","109","0.03","90","","6291","2","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cu2 F12 N10 O2 Sb2 -","- C42 H56 Cu2 F12 N10 O2 Sb2 -","- C168 H224 Cu8 F48 N40 O8 Sb8 -","4","1","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.0405","0.0306","","","0.0772","0.0792","","","","","","1.023","","","","has coordinates","286129","2023-09-05","19:53:58",""
"1568171","13.994","0.003","13.812","0.003","15.483","0.003","90","","109.81","0.03","90","","2815.5","1.1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Cu2 F6 N12 O6 S2 -","- C48 H62 Cu2 F6 N12 O6 S2 -","- C96 H124 Cu4 F12 N24 O12 S4 -","2","0.5","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.0637","0.0557","","","0.1557","0.163","","","","","","1.107","","","","has coordinates","286129","2023-09-05","19:53:58",""
"1568172","16.007","0.003","16.568","0.003","16.63","0.003","89.47","0.03","86.66","0.03","87.22","0.03","4397.6","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 Cu2 N10 -","- C42 H56 Cl2 Cu2 N10 -","- C168 H224 Cl8 Cu8 N40 -","4","2","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","1.54186","CuKα","","0.044","0.0323","","","0.0799","0.0832","","","","","","1.037","","","","has coordinates","286129","2023-09-05","19:53:58",""
"1568173","11.656","0.002","15.29","0.003","17.087","0.003","90","","91.29","0.03","90","","3044.5","1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Cl4 Cu2 F12 N12 P2 -","- C48 H66 Cl4 Cu2 F12 N12 P2 -","- C96 H132 Cl8 Cu4 F24 N24 P4 -","2","0.5","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.0747","0.0642","","","0.1421","0.1449","","","","","","1.236","","","","has coordinates,has disorder","286129","2023-09-05","19:53:58",""
"1568174","13.6884","0.0007","17.0653","0.001","28.5141","0.0013","90","","90","","90","","6660.8","0.6","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H56 O22 P2 -","- C70 H56 O22 P2 -","- C280 H224 O88 P8 -","4","1","","Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan","A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.","Soft matter","2023","19","3","430","435","10.1039/d2sm01424f","","","0.71073","MoKα","","0.1117","0.0561","","","0.1216","0.148","","","","","","1.016","","","","has coordinates","281618","2023-03-04","18:50:05",""
"1568175","8.1805","0.0003","16.2254","0.0005","25.9415","0.001","90","","90.036","0.002","90","","3443.3","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 F N O2 S -","- C46 H34 F N O2 S -","- C184 H136 F4 N4 O8 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0483","0.0388","","","0.0968","0.1033","","","","","","1.026","","","","has coordinates","281354","2023-03-04","17:51:26",""
"1568176","11.6223","0.0004","22.3952","0.0008","13.154","0.0004","90","","101.844","0.001","90","","3350.9","0.2","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F N O3 S -","- C43 H28 F N O3 S -","- C172 H112 F4 N4 O12 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0646","0.0464","","","0.1226","0.1356","","","","","","1.017","","","","has coordinates","281354","2023-03-04","17:51:26",""
"1568177","5.3077","0.0002","10.641","0.0003","14.3047","0.0004","90","","97.421","0.003","90","","801.15","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-diethyl-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C36 H32 N4 O4 S4 -","2","0.5","","Samanta, Ranita; Das, Susobhan; Mondal, Saikat; Alkhidir, Tamador; Mohamed, Sharmarke; Senanayak, Satyaprasad P.; Reddy, C. Malla","Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism.","Chemical science","2023","14","6","1363","1371","10.1039/d2sc05217b","","x-ray","1.54184","CuKα","","0.0532","0.051","","","0.1471","0.1487","","","","","","1.081","","","","has coordinates","281374","2023-03-04","17:56:59",""
"1568178","11.3574","0.0003","11.4628","0.0003","12.8226","0.0003","102.524","0.002","91.226","0.002","93.168","0.002","1626.18","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H47 F6 N4 Ni -","- C31 H47 F6 N4 Ni -","- C62 H94 F12 N8 Ni2 -","2","1","","Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.","Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.","Faraday discussions","2023","244","0","62","76","10.1039/d2fd00171c","","x-ray","0.71073","MoKα","","0.0434","0.0374","","","0.097","0.1007","","","","","","1.056","","","","has coordinates","286131","2023-09-05","19:54:32",""
"1568179","10.5397","0.0002","10.7172","0.0002","19.4459","0.0005","105.371","0.002","98.187","0.002","103.797","0.002","2006.65","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 F8 I N4 Ni -","- C38 H48 F8 I N4 Ni -","- C76 H96 F16 I2 N8 Ni2 -","2","1","","Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.","Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.","Faraday discussions","2023","244","0","62","76","10.1039/d2fd00171c","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0801","0.0815","","","","","","1.102","","","","has coordinates","286131","2023-09-05","19:54:32",""
"1568180","17.5163","0.0002","18.1903","0.0002","18.3475","0.0002","104.496","0.001","113.59","0.001","104.443","0.001","4767.32","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 F10 I2 N4 Ni -","- C44 H48 F10 I2 N4 Ni -","- C176 H192 F40 I8 N16 Ni4 -","4","2","","Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.","Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.","Faraday discussions","2023","244","0","62","76","10.1039/d2fd00171c","","x-ray","1.54184","CuKα","","0.044","0.0401","","","0.1102","0.1135","","","","","","1.079","","","","has coordinates,has disorder","286131","2023-09-05","19:54:32",""
"1568181","9.5043","0.0006","10.1028","0.0007","11.4194","0.0008","84.951","0.005","81.475","0.005","62.613","0.005","962.59","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0667","0.0595","","","0.1464","0.153","","","","","","1.05","","","","has coordinates","281359","2023-03-04","17:52:44",""
"1568182","9.6203","0.0008","16.4732","0.001","18.2301","0.0013","90","","90.025","0.006","90","","2889.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Na O4 -","- C28 H42 B3 Na O4 -","- C112 H168 B12 Na4 O16 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1373","0.0994","","","0.2288","0.2655","","","","","","1.129","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568183","13.1281","0.0009","16.9849","0.0016","18.645","0.001","90","","90","","90","","4157.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H68 B2 Li2 O6 -","- C40 H68 B2 Li2 O6 -","- C160 H272 B8 Li8 O24 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1151","0.0711","","","0.1496","0.1694","","","","","","1.053","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568184","18.6111","0.0006","16.4244","0.0004","30.4468","0.0009","90","","101.989","0.002","90","","9103.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C360 H576 Li24 N24 O24 -","12","3","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1004","0.0742","","","0.1949","0.2124","","","","","","1.055","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568185","10.2466","0.0004","14.7968","0.0006","15.6728","0.0006","108.371","0.003","95.677","0.003","90.32","0.003","2242.4","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0647","0.0571","","","0.1515","0.157","","","","","","1.071","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568186","12.6287","0.0012","21.7373","0.0013","17.0233","0.0015","90","","110.611","0.007","90","","4374","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H69 B2 Li N2 O9 -","- C41 H69 B2 Li N2 O9 -","- C164 H276 B8 Li4 N8 O36 -","4","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1104","0.0639","","","0.1386","0.1657","","","","","","1.05","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568187","29.1123","0.0006","15.8326","0.0003","43.5324","0.001","90","","102.002","0.002","90","","19626.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Li O4 -","- C28 H42 B3 Li O4 -","- C784 H1176 B84 Li28 O112 -","28","7","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1499","0.0801","","","0.2172","0.2751","","","","","","1.032","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568188","8.5527","0.0005","12.4941","0.0007","16.5866","0.0011","75.533","0.005","75.852","0.005","84.925","0.005","1663.45","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 B2 Li O8 -","- C33 H50 B2 Li O8 -","- C66 H100 B4 Li2 O16 -","2","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.103","0.0642","","","0.1187","0.1379","","","","","","1.197","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568189","10.9511","0.001","24.516","0.003","15.2282","0.0015","90","","95.506","0.008","90","","4069.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B2 Li N O8 -","- C43 H58 B2 Li N O8 -","- C172 H232 B8 Li4 N4 O32 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1892","0.1106","","","0.2115","0.2467","","","","","","1.117","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568190","8.0196","0.0002","10.2784","0.0003","15.7772","0.0004","73.71","0.002","82.873","0.002","83.416","0.002","1234.28","0.06","229.99","0.1","230","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H58 Co N2 O4 S2 -","- C49.5 H58 Co N2 O4 S2 -","- C49.5 H58 Co N2 O4 S2 -","1","0.5","","Mishra, Esha; Ekanayaka, Thilini K.; Panagiotakopoulos, Theodoros; Le, Duy; Rahman, Talat S.; Wang, Ping; McElveen, Kayleigh A.; Phillips, Jared P.; Zaid Zaz, M.; Yazdani, Saeed; N'Diaye, Alpha T; Lai, Rebecca Y.; Streubel, Robert; Cheng, Ruihua; Shatruk, Michael; Dowben, Peter A.","Electronic structure of cobalt valence tautomeric molecules in different environments.","Nanoscale","2023","15","5","2044","2053","10.1039/d2nr06834f","","x-ray","0.71073","MoKα","","0.0816","0.0625","","","0.194","0.2085","","","","","","1.089","","","","has coordinates,has disorder","281487","2023-03-04","18:26:33",""
"1568191","6.24","0.0003","7.3164","0.0004","17.7083","0.0008","90","","90","","90","","808.46","0.07","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0382","0.0328","","","0.0673","0.0692","","","","","","1.094","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568192","6.33251","0.00011","7.69444","0.00017","8.95591","0.00016","90","","96.8866","0.0017","90","","433.229","0.015","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 O2 S2 -","- C7 H10 O2 S2 -","- C14 H20 O4 S4 -","2","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0281","0.0281","","","0.0738","0.0738","","","","","","1.065","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568193","6.0382","0.0002","6.9857","0.0002","18.8158","0.0006","90","","90","","90","","793.67","0.04","150","2","149.9","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C28 H40 O12 S4 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0248","0.0242","","","0.0643","0.0648","","","","","","1.087","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568194","12.599","0.0003","6.90114","0.00015","18.8705","0.0005","90","","102.949","0.003","90","","1599.02","0.07","150","2","149.9","0.6","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C56 H80 O24 S8 -","8","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0264","0.0255","","","0.0603","0.0608","","","","","","1.06","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568195","8.79278","0.00012","6.11294","0.00009","13.39685","0.00018","90","","90.4175","0.0012","90","","720.058","0.017","150","2","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0261","0.0258","","","0.0668","0.0671","","","","","","1.075","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568196","26.4405","0.0004","30.63","0.0006","31.6049","0.0006","62.291","0.002","74.7925","0.0016","70.3241","0.0017","21165.1","0.8","100","0.11","100","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C336 H270 Ag46 Cl6 Cr2 N6 O32 S36 -","- C336 H270 Ag45.9999 Cl6 Cr2 N6 O32 S36 -","- C672 H540 Ag91.9998 Cl12 Cr4 N12 O64 S72 -","2","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag<sub>37</sub> to Ag<sub>46</sub> nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.134","0.0846","","","0.2504","0.2966","","","","","","1.067","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09",""
"1568197","17.8704","0.0004","38.6083","0.0006","47.7137","0.0005","90","","94.915","0.001","90","","32798.8","1","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C1152 H992 Ag148 Cl44 N24 Na4 O96 S120 -","4","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag<sub>37</sub> to Ag<sub>46</sub> nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.1717","0.1265","","","0.3384","0.3781","","","","","","1.271","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09",""
"1568198","10.8295","0.0004","14.3466","0.0005","16.2889","0.0007","98.991","0.003","110.11","0.004","97.83","0.004","2297.5","0.17","195","","195","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)4CO2","","","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00994","","","","","","0.00995","0.04107","4.8033","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568199","10.3561","0.0006","14.2275","0.0007","16.1588","0.001","96.889","0.004","109.083","0.006","99.555","0.005","2179.7","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)2O2","","","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00317","","","","","","0.00316","0.01916","3.6133","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568200","10.3569","0.0005","14.221","0.0003","16.1573","0.0009","96.891","0.003","109.135","0.005","99.504","0.005","2178.34","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)N2","","","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00428","","","","","","0.00429","0.02258","3.4332","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568201","12.4765","0.0003","13.7256","0.0003","15.0782","0.0003","71.979","0.002","88.7149","0.0018","78.9608","0.0019","2408.12","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","1","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0529","0.0474","","0.1363","0.1308","0.1363","","","","","","0.9928","","","","has coordinates,has disorder","283154","2023-05-05","00:57:48",""
"1568202","25.8831","0.001","5.6524","0.0004","43.78","0.002","90","","94.085","0.004","90","","6388.8","0.6","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C232 H416 N32 O48 -","8","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0867","0.0553","","0.1556","0.1266","0.1556","","","","","","0.9888","","","","has coordinates,has disorder","283154","2023-05-05","00:57:59",""
"1568203","12.6782","0.0002","13.2543","0.0002","17.7146","0.0003","94.8655","0.0015","102.8","0.0015","108.058","0.0016","2721.73","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 F2 K N8 O16 Yb2 -","- C31 H58 F2 K N8 O16 Yb2 -","- C62 H116 F4 K2 N16 O32 Yb4 -","2","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0565","0.0548","","0.1598","0.1571","0.1598","","","","","","1.0117","","","","has coordinates","283154","2023-05-05","00:58:08",""
"1568204","28.4973","0.0007","15.9022","0.0003","39.7702","0.0008","90","","103.219","0.002","90","","17545.1","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H316 N48 O84 Yb12 -","- C186 H316 N48 O84 Yb12 -","- C372 H632 N96 O168 Yb24 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0851","0.0701","","0.2144","0.1987","0.2144","","","","","","1.0303","","","","has coordinates,has disorder","283154","2023-05-05","00:58:12",""
"1568205","10.8216","0.0002","18.3994","0.0003","11.1809","0.0002","90","","106.757","0.002","90","","2131.7","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 N4 O9 Yb -","- C17 H31 N4 O9 Yb -","- C68 H124 N16 O36 Yb4 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0258","0.0251","","0.0653","0.0648","0.0653","","","","","","1.0237","","","","has coordinates,has disorder","283154","2023-05-05","00:58:23",""
"1568206","28.5577","0.0005","15.9841","0.0002","39.9615","0.0006","90","","103.346","0.0016","90","","17748.6","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H324 Eu12 N48 O84 -","- C186 H324 Eu12 N48 O84 -","- C372 H648 Eu24 N96 O168 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.1305","0.1126","","0.3036","0.2713","0.3036","","","","","","1.0191","","","","has coordinates","283154","2023-05-05","00:58:32",""
"1568207","10.7991","0.0001","18.3916","0.0002","11.2076","0.0001","90","","106.553","0.0013","90","","2133.72","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Eu N4 O9 -","- C17 H31 Eu N4 O9 -","- C68 H124 Eu4 N16 O36 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0738","0.0734","","0.2017","0.1999","0.2017","","","","","","1.035","","","","has coordinates,has disorder","283154","2023-05-05","00:58:35",""
"1568208","18.67067","0.00017","18.94109","0.00018","18.90816","0.00017","90","","94.3084","0.0008","90","","6667.84","0.11","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Fe N3 Si4 -","- C24 H53 Fe N3 Si4 -","- C192 H424 Fe8 N24 Si32 -","8","2","","Stroek, Wowa; Albrecht, Martin","Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds.","Chemical science","2023","14","11","2849","2859","10.1039/d2sc04170g","","x-ray","1.54184","CuKα","","0.0572","0.0509","","","0.1462","0.1523","","","","","","1.076","","","","has coordinates,has disorder","282297","2023-04-04","10:02:00",""
"1568209","11.5091","0.0007","16.0047","0.0012","16.969","0.0011","78.893","0.003","83.202","0.002","80.19","0.003","3010.4","0.4","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","1","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0336","0.03","","","0.068","0.0697","","","","","","0.949","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568210","18.7149","0.0008","36.9102","0.0016","32.7166","0.0014","90","","94.377","0.002","90","","22533.8","1.7","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H150 F60 Fe Hg10 N24 S10 Sb10 -","- C90 H138 F48 Fe Hg10 N20 S10 Sb8 -","- C360 H552 F192 Fe4 Hg40 N80 S40 Sb32 -","4","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0426","0.0384","","","0.1055","0.1095","","","","","","1.04","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568211","16.8907","0.0004","40.5278","0.001","23.013","0.0005","90","","109.001","0.001","90","","14895","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H100 F30 Fe Hg10 N20 O20 -","- C98 H100 F27 Fe Hg10 N20 O18 -","- C392 H400 F108 Fe4 Hg40 N80 O72 -","4","1","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","1.54178","CuKα","","0.0569","0.0519","","","0.1388","0.1439","","","","","","1.052","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568212","13.8929","0.0003","15.2075","0.0003","18.0219","0.0004","93.513","0.002","96.836","0.002","101.444","0.002","3691.25","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H69 Br Cl3 Os P3 -","- C86 H69 Br2 Cl2 Os P3 -","- C172 H138 Br4 Cl4 Os2 P6 -","2","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","","1.54184","CuKα","","0.0654","0.0547","","","0.154","0.1629","","","","","","1.064","","","","has coordinates","281357","2023-03-04","17:52:06",""
"1568213","37.0917","0.0004","10.9818","0.0001","43.2112","0.0005","90","","106.08","0.001","90","","16912.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H77 Br2 Cl2 N Os P3 -","- C98 H77 Br2 Cl2 N Os P3 -","- C784 H616 Br16 Cl16 N8 Os8 P24 -","8","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","x-ray","1.54184","CuKα","","0.052","0.0495","","","0.1288","0.1305","","","","","","1.063","","","","has coordinates,has disorder","281357","2023-03-04","17:52:06",""
"1568214","13.9414","0.0011","20.932","0.0017","28.7875","0.0018","90","","95.848","0.003","90","","8357.1","1.1","180","2","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H106 B2 N0 O10 -","- C96.996 H107.988 B2 O10 -","- C387.984 H431.952 B8 O40 -","4","1","","Chen, Jin-Fa; Gao, Qing-Xiu; Liu, Lijie; Chen, Pangkuan; Wei, Tai-Bao","A pillar[5]arene-based planar chiral charge-transfer dye with enhanced circularly polarized luminescence and multiple responsive chiroptical changes.","Chemical science","2023","14","4","987","993","10.1039/d2sc06000k","","","0.71073","MoKα","","0.1392","0.0657","","","0.1698","0.1958","","","","","","0.99","","","","has coordinates,has disorder","281361","2023-03-04","17:53:36",""
"1568215","13.3693","0.0008","16.483","0.001","16.996","0.0011","98.522","0.004","110.283","0.004","111.654","0.004","3097.1","0.4","130","0.5","130","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C78 H80 Cl2 N2 O -","- C78 H80 Cl2 N2 O -","- C156 H160 Cl4 N4 O2 -","2","1","","Krzeszewski, Maciej; Dobrzycki, Łukasz; Sobolewski, Andrzej L.; Cyrański, Michał K.; Gryko, Daniel T.","Saddle-shaped aza-nanographene with multiple odd-membered rings","Chemical Science","2023","14","9","2353","2360","10.1039/D2SC05858H","","","1.54178","CuKα","","0.0846","0.0706","","","0.1769","0.1859","","","","","","1.082","","","","has coordinates,has disorder","281390","2023-03-04","18:02:15",""
"1568216","11.1707","0.0015","3.8686","0.0005","30.877","0.004","90","","91.966","0.005","90","","1333.6","0.3","130","","130","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","1","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","0.71073","MoKα","","0.0966","0.0771","","","0.1618","0.1699","","","","","","1.163","","","","has coordinates","281608","2023-03-04","18:47:25",""
"1568217","15.3458","0.0008","15.7608","0.0007","9.4437","0.0004","90","","93.062","0.004","90","","2280.81","0.18","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl3 N3 O2 -","- C25 H16 Cl3 N3 O2 -","- C100 H64 Cl12 N12 O8 -","4","1","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","1.54178","CuKα","","0.0994","0.0635","","","0.1785","0.1973","","","","","","1.083","","","","has coordinates,has disorder","281608","2023-03-04","18:47:25",""
"1568218","7.975","0.0006","16.4265","0.001","13.4165","0.0007","90","","103.052","0.006","90","","1712.17","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O2 Pd -","- C19 H19 N3 O2 Pd -","- C76 H76 N12 O8 Pd4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.1102","0.0787","","","0.1951","0.2328","","","","","","1.083","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568219","17.933","0.004","5.7655","0.0013","20.387","0.004","90","","93.694","0.019","90","","2103.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","0.71073","MoKα","","0.2383","0.1125","","","0.2548","0.3469","","","","","","1.016","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568220","18.5183","0.0003","9.4082","0.0001","20.3888","0.0002","90","","102.717","0.002","90","","3465.08","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H N O Pd -","- C3.26531 H3.10204 N0.489796 O0.163265 Pd0.163265 -","- C160 H152 N24 O8 Pd8 -","49","12.25","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.0868","0.0843","","","0.2167","0.2221","","","","","","1.043","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568221","5.189","0.005","7.915","0.004","10.643","0.003","80.745","0.013","82.34","0.04","88.94","0.05","427.6","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","1","1","","De, Soumi; Asthana, Deepak; Thirmal, Chinthakuntla; Keshri, Sudhir K.; Ghosh, Ram Krishna; Hundal, Geeta; Kumar, Raju; Singh, Satyendra; Chatterjee, Ratnamala; Mukhopadhyay, Pritam","A folded π-system with supramolecularly oriented dipoles: single-component piezoelectric relaxor with NLO activity.","Chemical science","2023","14","10","2547","2552","10.1039/d2sc06141d","","","0.71073","MoKα","","0.1421","0.0815","","","0.2062","0.2349","","","","","","1.017","","","","has coordinates","282281","2023-04-04","09:54:10",""
"1568222","23.6279","0.0005","23.6779","0.0005","23.8819","0.0005","112.131","0.001","119.538","0.001","92.924","0.001","10292.9","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C320 H480 Cu75 S32 -","- C320 H480 Cu75 S32 -","- C320 H480 Cu75 S32 -","1","0.5","","Tang, Jie; Liu, Chong; Zhu, Chenyu; Sun, Keju; Wang, He; Yin, Wen; Xu, Chuting; Li, Yang; Wang, Weiguo; Wang, Li; Wu, Renan; Liu, Chao; Huang, Jiahui","High-nuclearity and thiol protected core-shell [Cu<sub>75</sub>(S-Adm)<sub>32</sub>]<sup>2+</sup>: distorted octahedra fixed to Cu<sub>15</sub> core <i>via</i> strong cuprophilic interactions.","Nanoscale","2023","15","6","2843","2848","10.1039/d2nr05921e","","","1.54178","CuKα","","0.251","0.1854","","","0.453","0.5012","","","","","","1.594","","","","has coordinates","281491","2023-03-04","18:28:01",""
"1568224","15.5542","0.0007","5.6674","0.0002","18.576","0.0008","90","","106.95","0.001","90","","1566.38","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","0.71073","GaKα","","0.036","0.0325","","","0.1226","0.132","","","","","","1.124","","","","has coordinates","283158","2023-05-05","01:00:53",""
"1568225","4.812","0.0002","20.6876","0.001","11.0963","0.0006","90","","96.357","0.002","90","","1097.83","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0376","0.0331","","","0.0826","0.0861","","","","","","1.06","","","","has coordinates","283158","2023-05-05","01:01:03",""
"1568226","4.8071","0.0003","20.699","0.0014","11.0964","0.0007","90","","96.329","0.002","90","","1097.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0389","0.0367","","","0.1053","0.1076","","","","","","1.064","","","","has coordinates","283158","2023-05-05","01:01:13",""
"1568227","9.6077","0.0002","10.2863","0.0002","10.6653","0.0002","68.438","0.001","76.888","0.001","65.477","0.001","888.39","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S6 -","- C42 H30 S6 -","- C42 H30 S6 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0333","0.0313","","","0.0826","0.0845","","","","","","1.037","","","","has coordinates","283158","2023-05-05","01:01:17",""
"1568228","9.6203","0.0003","14.1325","0.0005","14.9666","0.0005","76.293","0.001","88.135","0.002","88.84","0.002","1975.68","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 F2 S4 -","- C30 H20 F2 S4 -","- C90 H60 F6 S12 -","3","1.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0356","0.0316","","","0.0857","0.0889","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:30",""
"1568229","15.1661","0.0008","4.8806","0.0003","11.4983","0.0006","90","","93.913","0.002","90","","849.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F4 S2 -","- C20 H14 F4 S2 -","- C40 H28 F8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0317","0.0294","","","0.0766","0.0784","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568230","15.5305","0.0008","5.6743","0.0003","18.5471","0.0009","90","","106.918","0.002","90","","1563.72","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.044","0.0396","","","0.1161","0.1262","","","","","","0.89","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568231","4.8077","0.0002","20.6905","0.0009","11.0959","0.0005","90","","96.412","0.002","90","","1096.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0401","0.0349","","","0.0863","0.0903","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568232","21.0773","0.0006","21.0773","0.0006","7.9829","0.0003","90","","90","","120","","3071.29","0.17","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C144 H126 S18 -","3","0.166667","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0378","0.0316","","","0.0867","0.0896","","","","","","1.1","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568233","20.7715","0.0012","6.2243","0.0003","22.3727","0.0012","90","","94.032","0.003","90","","2885.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 O12 S6 -","- C60 H54 O12 S6 -","- C120 H108 O24 S12 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0703","0.0571","","","0.1562","0.1655","","","","","","1.066","","","","has coordinates,has disorder","283158","2023-05-05","01:01:34",""
"1568234","5.6192","0.0005","8.2941","0.0008","21.138","0.002","79.178","0.004","84.757","0.004","89.326","0.004","963.58","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0608","0.0479","","","0.1099","0.1183","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568235","12.4505","0.0005","14.978","0.0006","21.6769","0.0008","92.868","0.002","98.081","0.001","91.753","0.001","3994.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C192 H168 S24 -","4","2","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.051","0.0423","","","0.1052","0.1118","","","","","","1.028","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568236","42.573","0.005","42.573","0.005","42.573","0.005","90","","90","","90","","77162","16","120","","120","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H72 Au18 Cu32 F66 S36 -","- C216 H72 Au18 Cu32 F66 S36 -","- C1728 H576 Au144 Cu256 F528 S288 -","8","0.0416667","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au<sub>18</sub>Cu<sub>32</sub> nanoclusters at precise locations <i>via</i> controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","x-ray","1.54186","CuKα","","0.071","0.0554","","","0.1826","0.1976","","","","","","1.066","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49",""
"1568237","21.3034","0.0006","21.5883","0.0007","21.9884","0.0007","111.776","0.002","118.542","0.002","96.201","0.002","7728.8","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C252 H252 Au20.31 Cu29.69 O36 S36 -","- C252 H252 Au20.312 Cu29.688 O36 S36 -","- C252 H252 Au20.312 Cu29.688 O36 S36 -","1","0.5","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au<sub>18</sub>Cu<sub>32</sub> nanoclusters at precise locations <i>via</i> controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","","1.54186","CuKα","","0.1201","0.09","","","0.2464","0.2691","","","","","","1.057","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49",""
"1568238","25.255","0.002","9.038","0.0006","16.9105","0.0017","90","","120.591","0.005","90","","3322.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Cl3 N2 Si2 -","- C35 H34 Cl3 N2 Si2 -","- C140 H136 Cl12 N8 Si8 -","4","0.5","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles","Polymer Chemistry","2023","14","4","492","499","10.1039/D2PY01470J","","","0.71073","MoKα","","0.0369","0.0318","","","0.0811","0.0858","","","","","","1.046","","","","has coordinates","281607","2023-03-04","18:47:11",""
"1568239","8.4884","0.0006","11.5493","0.0009","15.4564","0.0012","89.802","0.002","82.731","0.002","77.808","0.002","1468.77","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N2 Si2 -","- C34 H36 N2 Si2 -","- C68 H72 N4 Si4 -","2","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles","Polymer Chemistry","2023","14","4","492","499","10.1039/D2PY01470J","","","0.71073","MoKα","","0.0834","0.0484","","","0.1039","0.1178","","","","","","1.01","","","","has coordinates","281607","2023-03-04","18:47:11",""
"1568240","21.779","0.003","3.8696","0.0004","24.33","0.003","90","","90","","90","","2050.4","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H8 N4 O3 Se -","- C7 H8 N4 O3 Se -","- C56 H64 N32 O24 Se8 -","8","2","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0466","0.0421","","","0.0886","0.0903","","","","","","1.11","","","","has coordinates","286135","2023-09-05","19:55:21",""
"1568241","5.4742","0.0015","7.767","0.002","11.921","0.004","73.52","0.008","79.658","0.008","70.146","0.007","455.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H8 Br2 Cu N8 O2 Se2 -","- C10 H8 Br2 Cu N8 O2 Se2 -","- C10 H8 Br2 Cu N8 O2 Se2 -","1","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0904","0.0506","","","0.0894","0.1013","","","","","","1.06","","","","has coordinates","286135","2023-09-05","19:55:21",""
"1568242","8.127","0.0008","13.0444","0.0015","14.448","0.0017","90","","99.666","0.004","90","","1509.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br4 Cu2 N2 O2 Se2 -","- C24 H22 Br4 Cu2 N2 O2 Se2 -","- C48 H44 Br8 Cu4 N4 O4 Se4 -","2","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0558","0.0381","","","0.0915","0.1001","","","","","","1.068","","","","has coordinates","286135","2023-09-05","19:55:21",""
"1568243","8.2849","0.0005","11.2981","0.0009","12.3104","0.0009","83.249","0.003","81.394","0.003","81.805","0.003","1122.23","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Br2 Cu2 N4 O6 Se2 -","- C44 H46 Br2 Cu2 N4 O6 Se2 -","- C44 H46 Br2 Cu2 N4 O6 Se2 -","1","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0429","0.0313","","","0.0774","0.0833","","","","","","1.032","","","","has coordinates","286135","2023-09-05","19:55:21",""
"1568244","12.2556","0.0002","7.1074","0.0001","14.0867","0.0003","90","","98.156","0.002","90","","1214.62","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","S- ClMBA-Sn-Cl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0166","0.016","","","0.0362","0.0364","","","","","","1.035","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568245","13.9427","0.0007","7.1499","0.0003","12.4112","0.0006","90","","109.933","0.005","90","","1163.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-FMBA-SnCl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0543","0.0502","","","0.1339","0.137","","","","","","1.074","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568246","12.242","0.0001","7.1142","0.0001","14.0909","0.0001","90","","98.195","0.001","90","","1214.67","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","R-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0338","0.0309","","","0.0828","0.0839","","","","","","1.003","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568247","12.2505","0.0002","7.1627","0.0001","14.0193","0.0002","90","","110.504","0.002","90","","1152.21","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","R-FMBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0417","0.0412","","","0.1098","0.1101","","","","","","1.054","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568248","12.2157","0.0011","7.1438","0.0005","13.9697","0.0015","90","","110.521","0.011","90","","1141.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","S-F MBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0222","0.0209","","","0.0481","0.0486","","","","","","1.072","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568249","14.1247","0.0002","7.1094","0.0001","12.3083","0.0002","90","","97.523","0.001","90","","1225.34","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0736","0.0723","","","0.1945","0.1956","","","","","","1.187","","","","has coordinates","283514","2023-05-05","03:38:34",""
"1568250","39.4123","0.0018","31.761","0.0017","41.134","0.002","90","","116.515","0.002","90","","46075","4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C2122.4 H2132.8 Ag32 B32 Cl20.8 N192 O96 -","16","2","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0741","0.05","","","0.1206","0.1375","","","","","","1.033","","","","has coordinates,has disorder","283155","2023-05-05","00:59:34",""
"1568251","17.5943","0.0009","21.9079","0.0009","21.0813","0.001","90","","104.382","0.003","90","","7871.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H88 Ag2 B2 N8 O4 -","- C96 H88 Ag2 B2 N8 O4 -","- C384 H352 Ag8 B8 N32 O16 -","4","0.5","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0668","0.0361","","","0.0827","0.0982","","","","","","1.017","","","","has coordinates","283155","2023-05-05","00:59:37",""
"1568252","13.8231","0.0004","20.1276","0.0006","16.7673","0.0004","90","","90","","90","","4665.1","0.2","100","0.2","100","0.2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C25 H18 Cl2 N3 Zn -","- C25 H18 Cl2 N3 Zn -","- C200 H144 Cl16 N24 Zn8 -","8","0.5","","Ngue, Chin May; Ho, Kuan Fu; Sainbileg, Batjargal; Batsaikhan, Erdembayalag; Hayashi, Michitoshi; Lee, Kuei Yi; Chen, Ruei San; Leung, Man Kit","Conductivity and photoconductivity in a two-dimensional zinc bis(triarylamine) coordination polymer.","Chemical science","2023","14","5","1320","1328","10.1039/d2sc06085j","","","0.71073","MoKα","","0.0703","0.0556","","","0.1762","0.1913","","","","","","1.106","","","","has coordinates","281355","2023-03-04","17:51:35",""
"1568253","15.0449","0.0002","16.2449","0.0002","26.5593","0.0003","90","","90","","90","","6491.17","0.14","173","0.14","173","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N2 Zn -","- C34 H50 N2 Zn -","- C272 H400 N16 Zn8 -","8","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0941","0.1009","","","","","","1.039","","","","has coordinates","281370","2023-03-04","17:56:17",""
"1568254","10.7471","0.0007","21.2654","0.0008","13.8275","0.0007","90","","93.143","0.004","90","","3155.4","0.3","173.05","0.1","173.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N2 Zn -","- C33 H48 N2 Zn -","- C132 H192 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","0.71073","MoKα","","0.072","0.0457","","","0.1169","0.1399","","","","","","1.091","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568255","12.4022","0.0004","15.979","0.0004","31.6956","0.0007","83.997","0.002","83.924","0.002","68.783","0.002","5807.7","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H90 N4 Zn2 -","- C62 H90 N4 Zn2 -","- C248 H360 N16 Zn8 -","4","2","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0567","0.0426","","","0.1101","0.1232","","","","","","1.028","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568256","11.2164","0.0003","20.8079","0.0005","14.1171","0.0004","90","","96.264","0.002","90","","3275.12","0.15","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 Zn -","- C35 H52 N2 Zn -","- C140 H208 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0964","0.0791","","","0.2064","0.2418","","","","","","1.047","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568257","7.7662","0.0011","20.908","0.003","7.2899","0.0011","90","","90.463","0.003","90","","1183.7","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 B F2 N2 O -","- C14 H9 B F2 N2 O -","- C56 H36 B4 F8 N8 O4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.118","0.0733","","","0.1974","0.2239","","","","","","1.023","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568258","7.763","0.003","24.877","0.01","7.273","0.003","90","","90.525","0.012","90","","1404.5","1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 N2 O S -","- C16 H9 B F2 N2 O S -","- C64 H36 B4 F8 N8 O4 S4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.0977","0.0807","","","0.214","0.2198","","","","","","1.125","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568259","17.675","0.003","17.675","0.003","29.023","0.005","90","","90","","90","","9067","3","302.45","","302.45","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H21 B N2 O -","- C30 H21 B N2 O -","- C480 H336 B16 N32 O16 -","16","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.1405","0.0643","","","0.1667","0.2155","","","","","","1.018","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568260","6.715","0.003","7.437","0.002","24.396","0.009","86.48","0.02","82.188","0.017","68.301","0.012","1121.4","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 Br N2 -","- C21 H41 Br N2 -","- C42 H82 Br2 N4 -","2","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.0663","0.0628","","","0.1676","0.1693","","","","","","1.196","","","","has coordinates","281616","2023-03-04","18:49:42",""
"1568261","27.66","0.009","9.968","0.0019","8.286","0.0016","90","","91.613","0.012","90","","2283.7","1","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 I N2 -","- C21 H41 I N2 -","- C84 H164 I4 N8 -","4","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1194","0.097","","","0.2727","0.2966","","","","","","1.107","","","","has coordinates","281616","2023-03-04","18:49:42",""
"1568262","7.0531","0.0002","15.7762","0.0005","27.107","0.0009","96.4858","0.0018","95.9509","0.0017","98.1327","0.0017","2944.75","0.16","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 F6 N3 O4 S2 -","- C23 H41 F6 N3 O4 S2 -","- C92 H164 F24 N12 O16 S8 -","4","2","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1068","0.089","","","0.2519","0.2612","","","","","","1.05","","","","has coordinates,has disorder","281616","2023-03-04","18:49:42",""
"1568263","10.6143","0.0003","31.7341","0.0006","5.4746","0.0001","90","","96.25","0.002","90","","1833.08","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0687","0.0614","","","0.1567","0.1623","","","","","","1.061","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568264","9.5665","0.0003","10.3386","0.0002","12.4055","0.0003","93.312","0.002","101.472","0.002","98.72","0.002","1183.64","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0375","0.0367","","","0.0938","0.0944","","","","","","1.048","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568265","8.0904","0.0003","12.0393","0.0003","12.8065","0.0003","79.36","0.002","75.595","0.002","79.481","0.002","1175.11","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0352","0.0345","","","0.0893","0.0897","","","","","","1.04","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568266","9.7199","0.0003","17.3733","0.0006","8.5275","0.0003","90","","106.832","0.001","90","","1378.32","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0564","0.0402","","","0.0881","0.1102","","","","","","1.087","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568267","8.7024","0.0003","13.0704","0.0005","18.7294","0.0007","90","","90","","90","","2130.35","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F O3 -","- C26 H23 F O3 -","- C104 H92 F4 O12 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0281","0.0273","","","0.0668","0.0674","","","","","","1.074","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568268","9.9702","0.0001","9.9702","0.0001","48.7176","0.0012","90","","90","","90","","4842.77","0.14","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C232 H240 O40 -","8","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0279","0.0274","","","0.07","0.0704","","","","","","1.064","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568269","11.4334","0.0007","13.0191","0.0008","41.707","0.003","90","","90","","90","","6208.2","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H92 Cl2 Co N4 O15 -","- C57 H92 Cl2 Co N4 O15 -","- C228 H368 Cl8 Co4 N16 O60 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0463","0.04","","","0.1012","0.1059","","","","","","1.05","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568270","15.9159","0.0003","21.273","0.0004","18.676","0.0003","90","","107.116","0.001","90","","6043.25","0.19","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 N4 O8 -","- C60 H68 N4 O8 -","- C240 H272 N16 O32 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","","0.71073","MoKα","","0.0894","0.0631","","","0.1663","0.1846","","","","","","1.042","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48",""
"1568271","17.4296","0.0003","29.0372","0.0005","18.0368","0.0002","90","","91.2569","0.0012","90","","9126.4","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H148 N6 O9 -","- C96 H148 N6 O9 -","- C384 H592 N24 O36 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","x-ray","1.54184","CuKα","","0.0496","0.0422","","","0.1081","0.1121","","","","","","1.035","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48",""
"1568272","8.6562","0.0007","23.5435","0.0018","11.2698","0.0009","90","","97.609","0.004","90","","2276.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S,3R)-2-methyl-3-(1-methyl-1H-indol-5-yl)-2-phenylcyclopropyl 3,5-dibromobenzoate","","- C26 H21 Br2 N O2 -","- C26 H21 Br2 N O2 -","- C104 H84 Br8 N4 O8 -","4","2","","Teresa, Javier; Velado, Marina; Fernández de la Pradilla, Roberto; Viso, Alma; Lozano, Blanca; Tortosa, Mariola","Enantioselective Suzuki cross-coupling of 1,2-diboryl cyclopropanes.","Chemical science","2023","14","6","1575","1581","10.1039/d2sc05789a","","","0.71073","MoKα","","0.0497","0.0319","","","0.0627","0.0698","","","","","","1.006","","","","has coordinates","283162","2023-05-05","01:04:03",""
"1568273","9.0911","0.0008","15.1646","0.001","10.8715","0.0008","90","","90.782","0.006","90","","1498.6","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","SQ1a","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","0.5","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0466","","","","0.0548","","","","","","1.13","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568274","10.8829","0.001","11.8981","0.0011","14.5843","0.0012","100.894","0.007","93.914","0.007","104.037","0.007","1786.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","CR1b","","- C34 H43 Cl3 O3 S2 -","- C34 H43 Cl3 O3 S2 -","- C68 H86 Cl6 O6 S4 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0897","","","","0.0926","","","","","","1.151","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568275","13.5881","0.0012","14.1008","0.001","14.4563","0.0012","89.576","0.006","67.544","0.005","67.336","0.005","2330.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","SQ1b","","- C48 H63 O3 S3 -","- C48 H63 O3 S3 -","- C96 H126 O6 S6 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0746","","","","0.0893","","","","","","1.113","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568276","10.29","0.0006","26.6421","0.0015","20.4572","0.0012","90","","101.477","0.003","90","","5496.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 Cu N5 O4 -","- C56 H89 Cu N5 O4 -","- C224 H356 Cu4 N20 O16 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp<sup>3</sup>)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","0.71073","MoKα","K-L~3~","0.0568","0.0379","","","0.0906","0.0987","","","","","","1.035","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28",""
"1568277","13.0154","0.0003","15.4677","0.0003","22.5915","0.0005","90","","97.887","0.001","90","","4505.06","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.35 H66.39 Cu N4 O5.15 -","- C46.343 H66.38 Cu N4 O5.152 -","- C185.372 H265.52 Cu4 N16 O20.608 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp<sup>3</sup>)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","1.54178","CuKα","K-L~3~","0.0587","0.0525","","","0.1399","0.1487","","","","","","1.061","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28",""
"1568278","11.115","0.0006","7.4032","0.0005","41.998","0.003","90","","93.75","0.005","90","","3448.5","0.4","150","","150","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C32 H17 N5 -","- C32 H17 N5 -","- C192 H102 N30 -","6","3","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","1.54178","CuKα","","0.098","0.0684","","","0.1663","0.1892","","","","","","1.028","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568279","7.023","0.01","9.909","0.014","11.109","0.014","65.89","0.06","74.66","0.05","73.28","0.04","666.2","1.6","296.83","","296.83","","","","","","","","","4","P 1","P 1","1","","","","- C36 H16 N6 O -","- C36 H16 N6 O -","- C36 H16 N6 O -","1","1","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","0.71076","MoKα","","0.1123","0.0842","","","0.1921","0.2096","","","","","","1.09","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568280","13.2549","0.0003","11.5853","0.0004","17.1735","0.0004","90","","97.293","0.002","90","","2615.86","0.12","294.93","0.1","294.93","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0687","0.0607","","","0.1639","0.1763","","","","","","1.033","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568281","8.7448","0.0003","12.1996","0.0005","23.9382","0.001","90","","90","","90","","2553.8","0.17","301","2","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0727","0.0389","","","0.0801","0.0915","","","","","","1.008","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568282","7.9263","0.0006","10.6732","0.0011","31.221","0.003","90","","90","","90","","2641.3","0.4","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1072","0.0493","","","0.0937","0.1168","","","","","","1.023","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568283","11.0546","0.0003","11.54205","0.00018","18.2492","0.0004","90","","90","","90","","2328.47","0.09","292.9","0.1","292.9","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0596","0.0564","","","0.1522","0.159","","","","","","1.049","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568284","9.7335","0.001","12.7669","0.0013","10.7629","0.0011","90","","90.849","0.004","90","","1337.3","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C66 H54 N2 O6 S2 -","2","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0738","0.054","","","0.1333","0.145","","","","","","1.027","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568285","10.7659","0.0011","13.158","0.0015","27.887","0.003","90","","100.454","0.004","90","","3884.8","0.7","149","2","149","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1112","0.0681","","","0.1649","0.1963","","","","","","1.021","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568286","11.084","0.0012","11.2741","0.001","27.234","0.003","90","","90","","90","","3403.2","0.6","161","2","161","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 I N O4 S -","- C33 H28 I N O4 S -","- C132 H112 I4 N4 O16 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0555","0.0401","","","0.099","0.1024","","","","","","1.653","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568287","11.6139","0.0007","13.4764","0.001","14.9925","0.001","92.051","0.003","93.362","0.003","94.406","0.003","2333.7","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.139","0.0603","","","0.1328","0.1605","","","","","","1.038","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568288","17.6502","0.0016","17.6502","0.0016","20.387","0.003","90","","90","","90","","6351.2","1.2","173","","173","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H45 N2 Sc Si2 -","- C30 H45 N2 Sc Si2 -","- C240 H360 N16 Sc8 Si16 -","8","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0697","0.0609","","","0.1183","0.1212","","","","","","1.267","","","","has coordinates","281611","2023-03-04","18:48:16",""
"1568289","10.3315","0.0008","17.5787","0.0012","18.0108","0.0013","90","","99.52","0.002","90","","3226","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N2 Sc Si2 -","- C31 H47 N2 Sc Si2 -","- C124 H188 N8 Sc4 Si8 -","4","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0802","0.0486","","","0.1016","0.1137","","","","","","1.037","","","","has coordinates,has disorder","281611","2023-03-04","18:48:16",""
"1568290","11.6387","0.0008","17.0971","0.0012","19.0816","0.0012","90","","93.598","0.002","90","","3789.5","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 N2 Sc Si3 -","- C33 H55 N2 Sc Si3 -","- C132 H220 N8 Sc4 Si12 -","4","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.1212","0.0858","","","0.1375","0.1517","","","","","","1.187","","","","has coordinates","281611","2023-03-04","18:48:16",""
"1568291","9.69861","0.00012","9.76722","0.00015","20.1618","0.0003","90","","98.7984","0.0012","90","","1887.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N P -","- C20 H18 Cl2 N P -","- C80 H72 Cl8 N4 P4 -","4","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0512","0.0463","","","0.1265","0.1358","","","","","","1.075","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568292","15.839","0.0004","10.3662","0.0003","19.8011","0.0005","90","","90","","90","","3251.15","0.15","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.032","0.0297","","","0.0783","0.08","","","","","","1.049","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568293","9.8206","0.0003","10.8079","0.0003","11.4388","0.0003","84.15","0.002","67.715","0.003","79.756","0.002","1104.73","0.06","236","4","236","4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl6 N P -","- C20 H14 Cl6 N P -","- C40 H28 Cl12 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","0.71073","MoKα","","0.0706","0.0462","","","0.1219","0.1339","","","","","","1.082","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568294","4.8136","0.0003","12.6603","0.0004","15.5459","0.0003","98.197","0.002","91.021","0.003","94.611","0.004","934.27","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 Cl6 P -","- C18 H9 Cl6 P -","- C36 H18 Cl12 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0797","0.0691","","","0.212","0.2423","","","","","","1.1","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568295","9.4252","0.0005","10.4766","0.0006","10.6229","0.0006","91.285","0.002","107.443","0.002","93.782","0.002","997.55","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 N P -","- C20 H16 Cl4 N P -","- C40 H32 Cl8 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.0536","0.0521","","","0.1413","0.1437","","","","","","1.053","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568296","16.8845","0.0002","41.326","0.0006","14.1744","0.0003","90","","90","","90","","9890.5","0.3","223","0.1","223","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H53 Co2 O19 V6 -","- C31 H53 Co2 O19 V6 -","- C248 H424 Co16 O152 V48 -","8","1","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.1086","0.0854","","","0.2566","0.2815","","","","","","1.064","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10",""
"1568297","11.9826","0.0001","11.9965","0.0001","13.4313","0.0001","95.106","0.001","115.57","0.001","113.864","0.001","1509.23","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","1","0.5","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0935","0.0945","","","","","","1.078","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10",""
"1568298","16.8365","0.0011","18.0784","0.0013","20.746","0.0012","90","","90","","90","","6314.6","0.7","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 F14 Fe6 N6 O20 -","- C36 H50 F14 Fe6 N6 O20 -","- C144 H200 F56 Fe24 N24 O80 -","4","1","","Gu, Yi-Ming; Yuan, You-You; Chen, Cai-Lin; Zhao, Sheng-Sheng; Sun, Tian-Jun; Han, Yu; Liu, Xiao-Wei; Lai, Zhiping; Wang, Shu-Dong","Fluorido-bridged robust metal-organic frameworks for efficient C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation under moist conditions.","Chemical science","2023","14","6","1472","1478","10.1039/d2sc06699h","","x-ray","0.71073","MoKα","","0.1092","0.0668","","","0.1487","0.1689","","","","","","1.034","","","","has coordinates","281371","2023-03-04","17:56:25",""
"1568299","7.1992","0.0017","17.607","0.005","6.177","0.0014","90","","90","","90","","783","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 N Ni -","- C4 H8 Cl3 N Ni -","- C16 H32 Cl12 N4 Ni4 -","4","0.5","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0399","0.0337","","","0.0587","0.0607","","","","","","1.081","","","","has coordinates","281380","2023-03-04","17:59:56",""
"1568300","7.35","0.03","17.78","0.07","6.23","0.02","90","","90","","90","","814","5","453","2","453","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 N Ni -","- C4 H11 Cl3 N Ni -","- C16 H44 Cl12 N4 Ni4 -","4","0.25","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0755","0.0612","","","0.1752","0.1863","","","","","","1.006","","","","has coordinates","281380","2023-03-04","17:59:57",""
"1568301","18.202","0.004","29.004","0.006","29.977","0.006","90","","90","","90","","15826","6","80","2","80","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C164 H130 N19 O15 Pd2 -","- C164 H130 N19 O15 Pd2 -","- C656 H520 N76 O60 Pd8 -","4","0.5","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1489","0.117","","","0.3686","0.4027","","","","","","1.462","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568302","30.02","0.004","30.02","0.004","29.369","0.006","90","","90","","90","","26467","7","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C1288 H996 Cl20 N108 O104 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0953","0.0891","","","0.2449","0.2527","","","","","","1.012","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568303","21.804","0.004","25.207","0.005","28.839","0.006","90","","97.68","0.03","90","","15708","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H138 F24 N12 O P4 Pd2 -","- C166 H138 F24 N12 O P4 Pd2 -","- C664 H552 F96 N48 O4 P16 Pd8 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1014","0.0911","","","0.2719","0.2823","","","","","","1.031","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568304","30.0723","0.0009","30.0723","0.0009","29.2855","0.0018","90","","90","","90","","26484","2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 N13 O11 Pd2 Re2 -","- C160 H124 N13 O11 Pd2 Re2 -","- C1280 H992 N104 O88 Pd16 Re16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.71073","MoKα","","0.1162","0.1069","","","0.303","0.3144","","","","","","1.051","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568305","22.378","0.005","25.42","0.005","29.183","0.006","90","","97.42","0.03","90","","16462","6","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C676 H580 F96 N48 O6 Pd8 Sb16 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.0855","0.0721","","","0.2193","0.2326","","","","","","1.061","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568306","30.0828","0.0008","30.0828","0.0008","29.4215","0.0007","90","","90","","90","","26625.7","1.2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 B4 F16 N12 Pd2 -","- C160 H124 B4.01 F16.04 N12 Pd2 -","- C1280 H992 B32.08 F128.32 N96 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0948","0.0875","","","0.2597","0.2674","","","","","","1.102","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568307","17.107","0.003","33.911","0.007","27.153","0.005","90","","99.19","0.03","90","","15550","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C171.25 H142 F10.5 N12 O11.75 Pd2 S3.5 -","- C171.18 H141.92 F10.5 N12 O11.78 Pd2 S3.5 -","- C684.72 H567.68 F42 N48 O47.12 Pd8 S14 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1155","0.0945","","","0.2854","0.3076","","","","","","1.022","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568308","15.9821","0.0004","14.8327","0.0003","19.0411","0.0004","90","","94.264","0.002","90","","4501.35","0.17","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C48 H60 O8 -","- C48 H60 O8 -","- C192 H240 O32 -","4","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1083","0.0946","","","0.2749","0.2958","","","","","","1.139","","","","has coordinates","281347","2023-03-04","17:49:16",""
"1568309","12.5957","0.0003","13.0422","0.0004","15.109","0.0005","84.924","0.003","76.057","0.002","69.976","0.002","2263.24","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","","1","","- C46 H54 F6 O6 -","- C46 H54 F6 O6 -","- C92 H108 F12 O12 -","2","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1139","0.0881","","","0.2964","0.3349","","","","","","1.22","","","","has coordinates","281347","2023-03-04","17:49:16",""
"1568310","17.9673","0.0007","15.1856","0.0005","18.5806","0.0008","90","","103.304","0.004","90","","4933.6","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C56 H64 O4 -","- C56 H64 O4 -","- C224 H256 O16 -","4","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1251","0.0955","","","0.2689","0.3144","","","","","","1.081","","","","has coordinates","281347","2023-03-04","17:49:16",""
"1568311","9.9956","0.001","14.6178","0.0015","32.816","0.003","90","","96.941","0.002","90","","4759.7","0.8","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 B2 F3 Ge N3 O3 P S -","- C43 H61 B2 F3 Ge N3 O3 P S -","- C172 H244 B8 F12 Ge4 N12 O12 P4 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","0.71073","MoKα","","0.0661","0.0438","","","0.1077","0.1216","","","","","","1.036","","","","has coordinates","281383","2023-03-04","18:00:56",""
"1568312","10.0247","0.0004","14.6574","0.0006","32.8291","0.0014","90","","97.0402","0.0017","90","","4787.4","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 As B2 F3 Ge N3 O3 S -","- C43 H61 As B2 F3 Ge N3 O3 S -","- C172 H244 As4 B8 F12 Ge4 N12 O12 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","1.54178","CuKα","","0.0411","0.0397","","","0.1054","0.1072","","","","","","1.059","","","","has coordinates","281383","2023-03-04","18:00:57",""
"1568313","35.1849","0.0003","10.4401","0.0001","35.7996","0.0003","90","","105.925","0.001","90","","12645.7","0.2","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C111.65 H163.3 B4 Cl3.3 F6 Ge2 N8 O6 P2 S2 -","- C110.65 H161.3 B4 Cl1.3 F6 Ge2 N8 O6 P2 S2 -","- C442.6 H645.2 B16 Cl5.2 F24 Ge8 N32 O24 P8 S8 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.1081","0.0762","","","0.1957","0.2096","","","","","","1.038","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57",""
"1568314","35.2609","0.0002","10.43718","0.00008","35.8116","0.0003","90","","105.96","0.0007","90","","12671.5","0.17","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C446.4 H652.8 As8 B16 Cl12.8 F24 Ge8 N32 O24 S8 -","8","2","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.0857","0.0734","","","0.1925","0.1992","","","","","","1.067","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57",""
"1568315","20.0556","0.001","13.4841","0.0005","16.4559","0.0007","90","","107.412","0.005","90","","4246.3","0.3","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Fe N4 -","- C40 H62 Fe N4 -","- C160 H248 Fe4 N16 -","4","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0743","0.0497","","","0.121","0.1327","","","","","","1.025","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568316","12.836","0.004","12.928","0.004","13.403","0.004","90","","104.798","0.004","90","","2150.4","1.1","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Fe Ge2 N4 -","- C46 H62 Fe Ge2 N4 -","- C92 H124 Fe2 Ge4 N8 -","2","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0878","0.0607","","","0.133","0.147","","","","","","1.083","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568317","14.0493","0.0006","24.0246","0.0009","19.8466","0.0007","90","","92.615","0.004","90","","6691.8","0.4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H90 Fe Ge4 N4 O2 -","- C74 H90 Fe Ge4 N4 O2 -","- C296 H360 Fe4 Ge16 N16 O8 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0749","0.0505","","","0.0899","0.0996","","","","","","1.015","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568318","12.2039","0.0002","20.0943","0.0003","22.0081","0.0004","90","","98.0205","0.0016","90","","5344.23","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Fe Ge3 N4 -","- C58 H70 Fe Ge3 N4 -","- C232 H280 Fe4 Ge12 N16 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.4122","synchrotron","","0.1582","0.075","","","0.1349","0.1567","","","","","","1.032","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568319","16.684","0.0005","19.1264","0.0005","10.702","0.0003","90","","90","","90","","3415.06","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H54 Cl N3 O3 -","- C32 H54 Cl N3 O3 -","- C128 H216 Cl4 N12 O12 -","4","0.5","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.1003","0.08","","","0.1887","0.2029","","","","","","1.062","","","","has coordinates,has disorder","282304","2023-04-04","10:04:30",""
"1568320","19.8888","0.0005","11.5941","0.0003","20.0988","0.0005","90","","112.329","0.001","90","","4287.12","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl2 N5 Sc -","- C45 H58 Cl2 N5 Sc -","- C180 H232 Cl8 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.0382","0.0336","","","0.0896","0.0946","","","","","","1.052","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568321","11.7634","0.0003","18.4422","0.0005","19.7845","0.0006","90","","93.583","0.001","90","","4283.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Gd N5 -","- C47 H64 Gd N5 -","- C188 H256 Gd4 N20 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0415","0.0305","","","0.054","0.058","","","","","","1.103","","","","has coordinates","282304","2023-04-04","10:04:31",""
"1568322","10.8628","0.0007","11.7806","0.0007","18.3075","0.001","86.193","0.002","83.654","0.002","71.048","0.002","2201.1","0.2","173","2","173","2","","","","","","","Hexane","4","P -1","-P 1","2","","","","- C47 H64 N5 Y -","- C47 H64 N5 Y -","- C94 H128 N10 Y2 -","2","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0693","0.0753","","","","","","1.072","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568323","19.891","0.002","11.624","0.0012","20.148","0.002","90","","112.715","0.002","90","","4297.2","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 N5 Sc -","- C47 H64 N5 Sc -","- C188 H256 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.118","0.1083","","","0.2108","0.2142","","","","","","1.419","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568324","14.149","0.0006","7.7293","0.0003","20.6546","0.0009","90","","91.659","0.004","90","","2257.88","0.16","95","0.1","95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 I2 S2 -","- C4 H22 B20 I2 S2 -","- C16 H88 B80 I8 S8 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","x-ray","1.54184","CuKα","","0.058","0.0405","","","0.0907","0.0972","","","","1.7126","1.7126","1.5754","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568325","11.4344","0.0006","11.4344","0.0006","29.4398","0.0016","90","","90","","120","","3333.4","0.3","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.057","0.0513","","","0.1266","0.1305","","","","","","1.121","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568326","12.716","0.003","12.716","0.003","39.812","0.008","90","0.03","90","0.03","90","0.03","6437","3","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C8 H41 B40 Cu4 I3 S4 -","- C8 H41 B40 Cu4 I3 S4 -","- C32 H164 B160 Cu16 I12 S16 -","4","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1123","0.1061","","","0.2772","0.2841","","","","","","1.082","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568327","11.3989","0.0007","11.9482","0.0007","32.3144","0.0019","90","","91.213","0.002","90","","4400.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C32 H176 B160 Cu16 S16 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1808","0.0986","","","0.1819","0.2141","","","","","","1.116","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568328","21.584","0.0009","13.1523","0.0005","17.7764","0.0007","90","","91.481","0.002","90","","5044.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H63 Cl3 Cr2 O5 P2 -","- C50 H63 Cl3 Cr2 O5 P2 -","- C200 H252 Cl12 Cr8 O20 P8 -","4","0.5","","Ji, Li; Song, Ping; Zhou, Youyun; Sun, Xiu-Li; Gao, Yanshan; Tang, Yong","A tridentate phenoxy-phosphine (POP) divalent chromium complex and its reactivities in olefin polymerization","Polymer Chemistry","2023","14","6","763","772","10.1039/D2PY01509A","","x-ray","1.54178","CuKα","","0.0356","0.0341","","","0.0913","0.0929","","","","","","1.06","","","","has coordinates,has disorder","281610","2023-03-04","18:47:46",""
"1568329","8.1655","0.0001","10.6042","0.0001","14.4716","0.0001","90","","102.495","0.001","90","","1223.4","0.02","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br N -","- C12 H18 Br N -","- C48 H72 Br4 N4 -","4","1","","Stroek, Wowa; Hoareau, Lilian; Albrecht, Martin","From the bottle: simple iron salts for the efficient synthesis of pyrrolidines <i>via</i> catalytic C-H bond amination.","Catalysis science & technology","2023","13","4","958","962","10.1039/d2cy02065c","","x-ray","1.54184","CuKα","","0.0428","0.0425","","","0.109","0.1092","","","","","","1.077","","","","has coordinates","281309","2023-03-04","17:35:09",""
"1568331","14.8529","0.0012","20.5937","0.0018","5.5853","0.0005","90","","90","","90","","1708.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","","d’Aleman, Antoine; Gayraud, Oscar; Fressigné, Catherine; Petit, Emilie; Bailly, Laetitia; Maddaluno, Jacques; De Paolis, Michaël","Organocatalyzed enantio- and diastereoselective isomerization of prochiral 1,3-cyclohexanediones into nonalactones bearing distant stereocenters","Chemical Science","2023","14","8","2107","2113","10.1039/D2SC06842G","","","0.71073","MoKα","","0.0378","0.0364","","","0.0916","0.0925","","","","","","1.081","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568332","12.0582","0.0004","13.8579","0.0005","23.2328","0.0008","90.646","0.001","97.97","0.001","86.033","0.001","3835.5","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5.CH3OH","","- C77 H88 Dy N3 O22 P4 -","- C77 H88 Dy N3 O22 P4 -","- C154 H176 Dy2 N6 O44 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0697","0.0504","","","0.1148","0.1222","","","","","","1.04","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22",""
"1568333","12.0168","0.0018","13.485","0.002","23.445","0.003","90.47","0.006","97.255","0.004","93.184","0.006","3762.5","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0921","0.069","","","0.1765","0.1954","","","","","","1.072","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22",""
"1568334","12.1321","0.001","13.3341","0.001","23.3083","0.0017","90.473","0.003","95.995","0.003","92.718","0.003","3745.4","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma)(depma2)].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0827","0.0581","","","0.1485","0.1703","","","","","","1.034","","","","has coordinates","281382","2023-03-04","18:00:22",""
"1568335","12.0667","0.0005","13.4722","0.0006","23.4814","0.001","90.745","0.002","97.128","0.002","93.145","0.002","3781.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","1.34139","GaKα","","0.0941","0.0755","","","0.2062","0.2204","","","","","","1.073","","","","has coordinates","281382","2023-03-04","18:00:22",""
"1568336","15.5164","0.0002","9.4299","0.0001","17.7244","0.0003","90","","108.412","0.002","90","","2460.64","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 N4 Ni -","- C24 H44 N4 Ni -","- C96 H176 N16 Ni4 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0794","0.0824","","","","","","1.039","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568337","15.7119","0.0003","9.6716","0.0002","19.5224","0.0003","90","","94.027","0.002","90","","2959.28","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 N4 Ni -","- C30 H54 N4 Ni -","- C120 H216 N16 Ni4 -","4","0.5","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0453","0.0433","","","0.1115","0.1132","","","","","","1.044","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568338","5.7823","0.0002","8.4295","0.0004","14.2439","0.0005","87.274","0.003","84.401","0.003","89.585","0.003","690.18","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 B2 O4 -","- C16 H14 B2 O4 -","- C32 H28 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0687","0.0668","","","0.2217","0.2231","","","","","","1.187","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568339","12.0496","0.0001","19.7726","0.0001","16.7786","0.0001","90","","110.877","0.001","90","","3735.09","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 B2 N4 Ni O4 -","- C34 H64 B2 N4 Ni O4 -","- C136 H256 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0408","0.0397","","","0.0945","0.0949","","","","","","1.201","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568340","10.8305","0.0002","18.882","0.0003","19.1567","0.0003","62.566","0.002","83.687","0.002","81.606","0.001","3435.69","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B2 N4 Ni O4 -","- C34 H48 B2 N4 Ni O4 -","- C136 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1039","0.1076","","","","","","1.074","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568341","10.2981","0.0002","17.9201","0.0002","18.0389","0.0003","116.089","0.002","93.688","0.001","93.509","0.001","2968.67","0.1","99.9","0.7","99.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 B2 N4 Ni O4 -","- C26 H48 B2 N4 Ni O4 -","- C104 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1212","0.1246","","","","","","1.017","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568342","6.3585","0.0001","8.8436","0.0002","16.0653","0.0004","100.552","0.002","97.42","0.002","93.988","0.002","876.64","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 B2 O4 -","- C21 H16 B2 O4 -","- C42 H32 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0464","0.0419","","","0.1127","0.1173","","","","","","1.047","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568343","10.237","0.0002","11.4631","0.0002","13.66","0.0003","113.599","0.002","91.47","0.002","93.724","0.002","1463.47","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 B2 F6 O4 -","- C34 H22 B2 F6 O4 -","- C68 H44 B4 F12 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0461","0.0405","","","0.1069","0.1114","","","","","","1.071","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568344","10.0336","0.0001","12.4047","0.0002","12.9515","0.0003","62.329","0.002","78.295","0.001","83.938","0.001","1397.82","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 B4 O8 -","- C31 H25 B4 O8 -","- C62 H50 B8 O16 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.047","0.044","","","0.112","0.1144","","","","","","1.02","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568345","10.3698","0.0002","10.8321","0.0002","11.1405","0.0003","94.791","0.002","108.533","0.002","103.715","0.002","1135.37","0.05","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C56 H44 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.037","","","0.0959","0.0985","","","","","","1.05","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568346","10.3586","0.0001","16.2208","0.0002","20.3367","0.0002","90","","94.882","0.001","90","","3404.67","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 B2 N2 O4 -","- C39 H42 B2 N2 O4 -","- C156 H168 B8 N8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0422","0.0372","","","0.0953","0.0987","","","","","","1.055","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568347","12.9444","0.0002","15.0597","0.0001","9.5195","0.0001","90","","98.503","0.001","90","","1835.32","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B2 O4 -","- C20 H20 B2 O4 -","- C80 H80 B8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0469","0.0436","","","0.1156","0.1185","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568348","9.7326","0.0002","10.1947","0.0002","19.1912","0.0005","76.146","0.002","86.927","0.002","64.991","0.002","1672.98","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 B4 N O8 Si -","- C37 H35 B4 N O8 Si -","- C74 H70 B8 N2 O16 Si2 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","","1.54184","CuKα","","0.0495","0.0429","","","0.1164","0.121","","","","","","1.04","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568349","11.2396","0.0001","19.3916","0.0001","19.4256","0.0001","90","","97.714","0.001","90","","4195.57","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 N4 Ni O4 -","- C42 H62 B2 N4 Ni O4 -","- C168 H248 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0884","0.091","","","","","","1.063","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568350","12.3362","0.0001","17.5427","0.0002","17.1923","0.0002","90","","97.966","0.001","90","","3684.69","0.07","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 B2 N4 Ni O4 -","- C38 H54 B2 N4 Ni O4 -","- C152 H216 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.0362","","","0.0977","0.1003","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568351","9.8008","0.0001","11.1639","0.0001","20.6104","0.0003","81.513","0.001","82.36","0.001","66.213","0.001","2034.2","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 B2 O4 -","- C26 H18 B2 O4 -","- C104 H72 B8 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0397","0.0368","","","0.0941","0.0973","","","","","","0.647","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568352","15.389","0.003","8.8015","0.0018","23.005","0.009","90","","101.75","0.03","90","","3050.6","1.5","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 N6 O2 Sn2 -","- C34 H34 N6 O2 Sn2 -","- C136 H136 N24 O8 Sn8 -","4","0.5","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0309","0.0293","","","0.0719","0.073","","","","","","1.11","","","","has coordinates","283149","2023-05-05","00:54:10",""
"1568353","28.972","0.004","28.972","0.004","8.1427","0.0016","90","","90","","120","","5919.1","1.6","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N3 Sn -","- C15 H13 N3 Sn -","- C270 H234 N54 Sn18 -","18","2","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0378","0.037","","","0.0952","0.0958","","","","","","1.133","","","","has coordinates,has disorder","283149","2023-05-05","00:54:10",""
"1568354","14.475","0.0015","22.912","0.002","31.837","0.003","90","","90","","90","","10558.8","1.7","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C60 H46 Cl6 N4 O8 -","- C60 H46 Cl6 N4 O8 -","- C480 H368 Cl48 N32 O64 -","8","2","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1825","0.1111","","","0.2443","0.2831","","","","","","1.022","","","","has coordinates,has disorder","282302","2023-04-04","10:03:40",""
"1568355","8.7404","0.0011","9.8973","0.0014","15.641","0.002","100.242","0.006","95.44","0.006","96.856","0.007","1312.6","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.2968","0.1396","","","0.388","0.4474","","","","","","1.098","","","","has coordinates,has disorder","282302","2023-04-04","10:03:49",""
"1568356","10.4617","0.0015","12.3933","0.0019","13.748","0.002","67.233","0.01","88.114","0.011","80.705","0.01","1621.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1294","0.0597","","","0.1311","0.1584","","","","","","0.973","","","","has coordinates,has disorder","282302","2023-04-04","10:03:52",""
"1568357","26.736","0.003","16.294","0.002","14.3851","0.0017","90","","114.589","0.005","90","","5698.4","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N4 O8 -","- C58 H44 N4 O8 -","- C232 H176 N16 O32 -","4","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.103","0.0835","","","0.2464","0.2585","","","","","","1.05","","","","has coordinates,has disorder","282302","2023-04-04","10:03:56",""
"1568358","9.412","0.002","23.109","0.016","30.268","0.01","86.235","0.007","85.355","0.002","89.587","0.009","6548","5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C117 H89 Cl3 N8 O16 -","- C117 H89 Cl3 N8 O16 -","- C234 H178 Cl6 N16 O32 -","2","1","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.3913","0.1584","","","0.4012","0.539","","","","","","0.971","","","","has coordinates,has disorder","282302","2023-04-04","10:03:57",""
"1568359","8.3226","0.0004","9.9577","0.0005","10.0572","0.0005","91.536","0.004","113.802","0.005","111.884","0.005","692.05","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 F4 N3 O4 S2 -","- C8 H11 F4 N3 O4 S2 -","- C16 H22 F8 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0431","0.038","","","0.0965","0.0999","","","","","","1.094","","","","has coordinates","283153","2023-05-05","00:55:33",""
"1568360","7.9455","0.0002","8.6095","0.0002","9.9932","0.0002","95.988","0.002","110.473","0.002","105.27","0.002","603.04","0.03","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 F2 N3 O4 S2 -","- C7 H11 F2 N3 O4 S2 -","- C14 H22 F4 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0329","0.0325","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates,has disorder","283153","2023-05-05","00:55:43",""
"1568361","10.1756","0.0002","11.1177","0.0002","14.7584","0.0003","71.995","0.002","74.529","0.002","89.874","0.002","1524.43","0.06","100","2","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 F6 N3 O4 S2 -","- C9 H11 F6 N3 O4 S2 -","- C36 H44 F24 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0386","0.0356","","","0.0967","0.0989","","","","","","1.085","","","","has coordinates","283153","2023-05-05","00:55:46",""
"1568362","18.1649","0.0003","8.3747","0.0001","23.0541","0.0005","90","","90","","90","","3507.12","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H15 F6 N3 O4 S2 -","- C11 H15 F6 N3 O4 S2 -","- C88 H120 F48 N24 O32 S16 -","8","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0693","0.0577","","","0.1546","0.1676","","","","","","1.073","","","","has coordinates","283153","2023-05-05","00:55:56",""
"1568363","9.2307","0.0001","9.6375","0.0001","16.6863","0.0001","90","","90","","90","","1484.43","0.02","100","2","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F2 N2 O4 S2 -","- C10 H20 F2 N2 O4 S2 -","- C40 H80 F8 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0713","0.0718","","","","","","1.063","","","","has coordinates","283153","2023-05-05","00:55:59",""
"1568364","12.0609","0.0001","8.4597","0.0001","34.0782","0.0002","90","","93.118","0.001","90","","3471.91","0.05","100","2","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 F12 N6 O8 S4 -","- C20 H30 F12 N6 O8 S4 -","- C80 H120 F48 N24 O32 S16 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.1013","0.0994","","","0.2143","0.2149","","","","","","2.948","","","","has coordinates,has disorder","283153","2023-05-05","00:56:33",""
"1568365","8.25097","0.00018","10.3115","0.0002","19.7803","0.0005","90","","98.622","0.002","90","","1663.89","0.06","238","2","238.49","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 F4 N2 O4 S2 -","- C11 H20 F4 N2 O4 S2 -","- C44 H80 F16 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0978","0.0906","","","0.273","0.2872","","","","","","1.15","","","","has coordinates","283153","2023-05-05","00:56:36",""
"1568366","5.6676","0.0001","16.1685","0.0002","11.191","0.0001","90","","98.415","0.001","90","","1014.46","0.02","100","2","99.9","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H15 Ag F4 N4 O8 S4 -","- C10 H15 Ag F4 N4 O8 S4 -","- C20 H30 Ag2 F8 N8 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0392","0.0379","","","0.1035","0.1064","","","","","","1.037","","","","has coordinates","283153","2023-05-05","00:56:48",""
"1568367","8.9762","0.0001","18.0158","0.0001","35.4048","0.0002","90","","90","","90","","5725.43","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 F2 N3 O4 S2 -","- C9 H15 F2 N3 O4 S2 -","- C144 H240 F32 N48 O64 S32 -","16","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0474","0.0455","","","0.1317","0.1335","","","","","","1.056","","","","has coordinates,has disorder","283153","2023-05-05","00:56:51",""
"1568368","5.9059","0.0001","8.225","0.0002","10.7395","0.0002","103.427","0.002","101.901","0.002","107.938","0.002","460.501","0.019","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","1","0.5","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0352","0.0273","","","0.0691","0.0723","","","","","","1.042","","","","has coordinates,has disorder","283153","2023-05-05","00:56:56",""
"1568369","8.1326","0.0001","11.5911","0.0001","17.2771","0.0001","104.234","0.001","95.326","0.001","92.313","0.001","1568.45","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 F4 N3 O4 S2 -","- C10 H15 F4 N3 O4 S2 -","- C40 H60 F16 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0559","0.053","","","0.1451","0.1503","","","","","","1.083","","","","has coordinates","283153","2023-05-05","00:56:59",""
"1568370","8.981","0.0001","9.3656","0.0001","11.9008","0.0002","70.207","0.001","75.403","0.001","71.869","0.001","882.98","0.02","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 F6 N2 O4 S2 -","- C12 H20 F6 N2 O4 S2 -","- C24 H40 F12 N4 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0712","0.0698","","","0.1911","0.1931","","","","","","1.062","","","","has coordinates","283153","2023-05-05","00:57:08",""
"1568371","9.5881","0.0002","10.8805","0.0002","11.469","0.0001","87.979","0.001","78.644","0.001","64.936","0.002","1061.04","0.04","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ag F4 N3 O8 S4 -","- C11 H20 Ag F4 N3 O8 S4 -","- C22 H40 Ag2 F8 N6 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0572","0.0556","","","0.1526","0.1553","","","","","","1.063","","","","has coordinates,has disorder","283153","2023-05-05","00:57:11",""
"1568372","8.5369","0.0002","12.0251","0.0002","17.0606","0.0004","90","","96.799","0.002","90","","1739.07","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N2 O2 Pd -","- C16 H20 Cl2 N2 O2 Pd -","- C64 H80 Cl8 N8 O8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0418","0.0376","","","0.0874","0.0913","","","","","","1.057","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568373","16.7813","0.0009","8.4205","0.0003","26.3272","0.0013","90","","103.427","0.005","90","","3618.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O2 Pd -","- C17 H22 Cl2 N2 O2 Pd -","- C136 H176 Cl16 N16 O16 Pd8 -","8","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0675","0.0453","","","0.0926","0.099","","","","","","1.047","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568374","12.3508","0.0005","14.1078","0.0005","10.6617","0.0005","90","","101.286","0.004","90","","1821.8","0.13","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H22 Br2 N2 O2 Pd -","- C17 H22 Br2 N2 O2 Pd -","- C68 H88 Br8 N8 O8 Pd4 -","4","0.5","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0483","0.0379","","","0.0898","0.0942","","","","","","1.028","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568375","12.63","0.0005","13.0697","0.0005","16.0599","0.0006","67.524","0.004","81.219","0.004","78.077","0.004","2388.82","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 Cl2 O5 P2 Pd -","- C57 H52 Cl2 O5 P2 Pd -","- C114 H104 Cl4 O10 P4 Pd2 -","2","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0601","0.0443","","","0.0921","0.0996","","","","","","1.047","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568376","12.4623","0.0003","10.8537","0.0003","32.8318","0.0008","90","","93.985","0.002","90","","4430.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.34 H42.68 Cl2 O3.45 P2 Pd -","- C50.341 H42.682 Cl2 O3.447 P2 Pd -","- C201.364 H170.728 Cl8 O13.788 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0817","0.0574","","","0.1307","0.141","","","","","","1.033","","","","has coordinates,has disorder","281612","2023-03-04","18:48:32",""
"1568377","32.1117","0.0004","12.4315","0.0002","10.0614","0.0001","90","","90","","90","","4016.48","0.09","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H33 Cl5 Fe O2 P2 Pd -","- C45 H33 Cl5 Fe O2 P2 Pd -","- C180 H132 Cl20 Fe4 O8 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0303","0.0276","","","0.0549","0.0558","","","","","","1.066","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568378","20.2129","0.0009","13.654","0.0004","20.7338","0.0008","90","","116.67","0.005","90","","5113.4","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 Cl2 O4 P2 Pd -","- C63 H51 Cl2 O4 P2 Pd -","- C252 H204 Cl8 O16 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0772","0.0504","","","0.1087","0.1187","","","","","","1.05","","","","has coordinates,has disorder","281612","2023-03-04","18:48:32",""
"1568379","27.5152","0.0014","48.566","0.003","55.058","0.003","90","","91.649","0.001","90","","73544","7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C422 H299 B11.5 F47 N72 O27.75 Zn8 -","- C422 H288 B11.75 F47 N72 O27.4999 Zn8 -","- C1688 H1152 B47 F188 N288 O110 Zn32 -","4","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.3647","0.1153","","","0.2815","0.3155","","","","","","0.983","","","","has coordinates,has disorder","281344","2023-03-04","17:48:05",""
"1568380","27.2167","0.0015","33.1187","0.0019","38.817","0.002","88.598","0.002","88.357","0.001","83.075","0.002","34712","3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8 -","- C453.5 H289.5 B7.5 Br F30 N77.5 O62.0005 Zn8 -","- C907 H579 B15 Br2 F60 N155 O124.001 Zn16 -","2","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.2409","0.1497","","","0.3963","0.4502","","","","","","0.976","","","","has coordinates,has disorder","281344","2023-03-04","17:48:06",""
"1568381","7.2214","0.0005","28.506","0.002","13.0812","0.0009","90","","92.638","0.003","90","","2690","0.3","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Cl N O2 -","- C34 H26 Cl N O2 -","- C136 H104 Cl4 N4 O8 -","4","2","","Das, Saikat; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2023","14","12","3154","3159","10.1039/d2sc07065k","","","0.71073","MoKα","","0.0705","0.0681","","","0.1756","0.1777","","","","","","1.073","","","","has coordinates","282305","2023-04-04","10:04:40",""
"1568382","13.6976","0.0006","23.8148","0.0012","20.2227","0.0008","90","","98.742","0.002","90","","6520.1","0.5","117","2","117","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 B F24 Fe N3 O2 P2 -","- C60 H63 B F24 Fe N3 O2 P2 -","- C240 H252 B4 F96 Fe4 N12 O8 P8 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.1019","0.0828","","","0.1636","0.1725","","","","","","1.112","","","","has coordinates,has disorder","282244","2023-04-04","09:28:05",""
"1568383","12.158","0.001","17.5241","0.0008","19.0088","0.0015","90","","90","","90","","4050","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 K N O4 P2 Ru -","- C36 H68 K N O4 P2 Ru -","- C144 H272 K4 N4 O16 P8 Ru4 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.0669","0.0449","","","0.0849","0.0924","","","","","","1.132","","","","has coordinates,has disorder","282244","2023-04-04","09:28:13",""
"1568384","18.0228","0.0008","18.6557","0.0011","24.1397","0.001","81.335","0.004","80.527","0.004","62.02","0.005","7044.8","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C114 H226 Cr4 O28 Si7 -","- C114 H226 Cr4 O28 Si7 -","- C228 H452 Cr8 O56 Si14 -","2","1","","Nobile, Anna Giorgia; Trummer, David; Berkson, Zachariah J.; Wörle, Michael; Copéret, Christophe; Payard, Pierre-Adrien","Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst","Chemical Science","2023","14","9","2361","2368","10.1039/D2SC06827C","","x-ray","0.71073","MoKα","K-L~3~","0.1753","0.0875","","","0.1533","0.1928","","","","","","1.021","","","","has coordinates,has disorder","281393","2023-03-04","18:02:43",""
"1568385","8.8055","0.0007","11.8006","0.0009","19.3349","0.0015","90","","91.749","0.004","90","","2008.2","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O4 -","- C24 H21 F N2 O4 -","- C96 H84 F4 N8 O16 -","4","1","","Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai","Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates","Chemical Science","2023","14","9","2461","2466","10.1039/D2SC05768A","","","1.34139","GaKα","","0.0676","0.049","","","0.1247","0.1382","","","","","","1.057","","","","has coordinates","281392","2023-03-04","18:02:33",""
"1568386","9.5862","0.0004","3.84427","0.0001","14.3959","0.0005","90","","90","","90","","530.52","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Se3 Sn Zr -","- Se3 Sn Zr -","- Se12 Sn4 Zr4 -","4","0.5","","Kondrotas, Rokas; Juskenas, Remigijus; Krotkus, Arunas; Pakstas, Vidas; Suchodolskis, Arturas; Mekys, Algirdas; Franckevicius, Marius; Talaikis, Martynas; Muska, Katri; Li, Xiaofeng; Kauk-Kuusik Marit; Kravtsov Victor","Synthesis and physical characteristics of narrow bandgap chalcogenide SnZrSe3","Open Research Europe","2023","2","138","1","12","10.12688/openreseurope.15168.1","","","0.71073","MoKα","","0.0214","0.02","","","0.0506","0.0514","","","","","","1.002","","","","has coordinates","280831","2023-02-08","14:45:15",""
"1568404","20.6469","0.0002","23.6627","0.0003","24.8965","0.0003","64.38","0.001","69.27","0.001","68.88","0.001","9942.9","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","FePcNFePpcI3","","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C370 H242 Cl78 Fe8 I12 N60 -","5","2.5","","Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Phung, Quan Manh; Oyama, Kin-ichi; Tanaka, Kentaro","Evaluation of CH4 oxidation activity of high-valent iron-oxo species of a μ-nitrido-bridged heterodimer of iron porphycene and iron phthalocyanine","Catalysis Science & Technology","2023","13","6","1725","1734","10.1039/D2CY01980A","","x-ray","0.71073","MoKα","","0.1465","0.1207","","","0.3236","0.3581","","","","","","1.1096","","","","has coordinates,has disorder","282246","2023-04-04","09:30:28",""
"1568405","10.53468","0.00011","6.40021","0.00007","13.58053","0.00014","90","","106.401","0.0011","90","","878.396","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 S2 -","- C18 H18 N2 O3 S2 -","- C36 H36 N4 O6 S4 -","2","1","","Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve","Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.","Chemical science","2023","14","11","3010","3017","10.1039/d2sc07117g","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0684","0.0686","","","","","","1.054","","","","has coordinates,has disorder","282298","2023-04-04","10:02:12",""
"1568406","6.2789","0.0008","21.884","0.002","7.7197","0.0009","90","","111.31","0.004","90","","988.22","0.19","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 As Cl F11 N -","- C5 As Cl F11 N -","- C20 As4 Cl4 F44 N4 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0548","0.0425","","","0.0957","0.0991","","","","","","1.095","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568407","13.9435","0.0006","6.5593","0.0003","7.0669","0.0004","90","","90","","90","","646.34","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H5 Cl2 N -","- C5 H5 Cl2 N -","- C20 H20 Cl8 N4 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0322","0.0257","","","0.0589","0.0641","","","","","","1.054","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568408","15.093","0.009","14.455","0.007","15.759","0.008","90","","108.451","0.018","90","","3261","3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H30 B2 Cl2 F8 N6 -","- C26 H30 B2 Cl2 F8 N6 -","- C104 H120 B8 Cl8 F32 N24 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0583","0.0524","","","0.1276","0.1295","","","","","","1.143","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568409","8.3507","0.001","6.7026","0.0006","15.1667","0.0017","90","","104.077","0.005","90","","823.41","0.15","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 Cl4 N2 -","- C14 H18 Cl4 N2 -","- C28 H36 Cl8 N4 -","2","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0287","0.025","","","0.0662","0.068","","","","","","1.059","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568410","13.6718","0.0018","15.798","0.002","15.142","0.002","90","","90","","90","","3270.5","0.7","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H30 Ag B2 F8 N6 -","- C26 H30 Ag B2 F8 N6 -","- C104 H120 Ag4 B8 F32 N24 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0589","0.0539","","","0.1249","0.1274","","","","","","1.247","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568411","5.3882","0.0007","15.2962","0.0017","7.9427","0.001","90","","105.459","0.004","90","","630.95","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As Cl2 F7 -","- As Cl2 F7 -","- As4 Cl8 F28 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0244","0.0243","","","0.0628","0.0629","","","","","","1.221","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568412","12.1157","0.0005","6.2539","0.0003","14.6","0.0006","90","","109.833","0.002","90","","1040.63","0.08","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Selenanthren","","- C12 H8 Se2 -","- C12 H8 Se2 -","- C48 H32 Se8 -","4","1","","Yang, Zhiqiang; Fu, Zhiyuan; Liu, Haichao; Wu, Min; Li, Nan; Wang, Kai; Zhang, Shi-Tong; Zou, Bo; Yang, Bing","Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry.","Chemical science","2023","14","10","2640","2645","10.1039/d3sc00172e","","","0.71073","MoKα","","0.0253","0.0203","","","0.0456","0.0473","","","","","","1.051","","","","has coordinates","282284","2023-04-04","09:54:51",""
"1568413","41.4191","0.0017","6.5104","0.0003","14.0699","0.0006","90","","98.7","0.003","90","","3750.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-nitrobenzyl)-4-(perfluorophenyl)isochromane","","- C22 H14 F5 N O3 -","- C22 H14 F5 N O3 -","- C176 H112 F40 N8 O24 -","8","2","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","1.54178","CuKα","","0.1074","0.0826","","","0.2203","0.243","","","","","","1.032","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568414","7.9798","0.0004","10.8805","0.0005","8.421","0.0004","90","","117.053","0.002","90","","651.15","0.06","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0317","0.0306","","","0.0803","0.0819","","","","","","1.063","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568415","7.9718","0.0003","9.2217","0.0003","11.1636","0.0004","100.875","0.001","90.02","0.001","110.526","0.001","752.8","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrobenzyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isochromene","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0417","0.0387","","","0.1058","0.1088","","","","","","1.066","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568416","8.6103","0.0007","7.9713","0.0005","27.483","0.002","90","","91.244","0.003","90","","1885.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-bis(trifluoromethyl)benzyl)-6,7-dimethoxyisochromane","","- C20 H18 F6 O3 -","- C20 H18 F6 O3 -","- C80 H72 F24 O12 -","4","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0511","0.0441","","","0.115","0.1214","","","","","","1.055","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568417","21.23","0.013","28.36","0.016","16.32","0.01","90","","105.11","0.007","90","","9486","10","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H121 N9 Ni2 O10 -","- C105 H117 N9 Ni2 O10 -","- C420 H468 N36 Ni8 O40 -","4","1","","Yamashita, Ken-Ichi; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Structurally well-defined conjugated <i>meso</i>-aminoporphyrin oligomers analogous to polyanilines.","Chemical science","2023","14","10","2735","2744","10.1039/d2sc06387e","","","0.71073","MoKα","","0.1819","0.1137","","","0.2902","0.352","","","","","","1.064","","","","has coordinates,has disorder","282280","2023-04-04","09:53:47",""
"1568418","23.1585","0.0007","9.2604","0.0003","23.5718","0.0007","90","","114.448","0.002","90","","4601.9","0.3","170","2","170.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H70 Fe N4 -","- C51 H70 Fe N4 -","- C204 H280 Fe4 N16 -","4","0.5","","Xiong, Jin; Liu, Qing; Lavina, Barbara; Hu, Michael Y.; Zhao, Jiyong; Alp, Esen E.; Deng, Liang; Ye, Shengfa; Guo, Yisong","Spin polarization assisted facile C-H activation by an <i>S</i> = 1 iron(iv)-bisimido complex: a comprehensive spectroscopic and theoretical investigation.","Chemical science","2023","14","11","2808","2820","10.1039/d2sc06273a","","","1.34139","GaKα","","0.0487","0.043","","","0.1169","0.1222","","","","","","1.093","","","","has coordinates","282299","2023-04-04","10:02:30",""
"1568419","14.5261","0.0017","4.3104","0.0005","20.361","0.002","90","","102.088","0.005","90","","1246.6","0.2","300.91","","300.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.0605","0.0392","","","0.1197","0.1443","","","","","","1.02","","","","has coordinates","282286","2023-04-04","09:55:56",""
"1568420","14.3805","0.0011","4.2807","0.0003","20.0178","0.0016","90","","101.319","0.003","90","","1208.3","0.16","100.91","","100.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.056","0.0512","","","0.1339","0.147","","","","","","1.112","","","","has coordinates","282286","2023-04-04","09:56:07",""
"1568421","9.9368","0.0002","17.0962","0.0003","17.1478","0.0003","90","","90","","90","","2913.09","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O5 -","- C31 H26 Cl3 N3 O5 -","- C124 H104 Cl12 N12 O20 -","4","1","","Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin","Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes","Chemical Science","2023","14","9","2330","2335","10.1039/D2SC07103G","","x-ray","1.54178","CuKα","","0.0187","0.0184","","","0.0464","0.0465","","","","","","1.056","","","","has coordinates","281391","2023-03-04","18:02:23",""
"1568422","7.4828","0.0003","18.3087","0.0007","18.4701","0.0007","90","","90","","90","","2530.41","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N3 O2 S -","- C27 H24 F3 N3 O2 S -","- C108 H96 F12 N12 O8 S4 -","4","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0491","0.037","","","0.1009","0.1096","","","","","","1.043","","","","has coordinates,has disorder","282283","2023-04-04","09:54:41",""
"1568423","11.1508","0.0004","6.3344","0.0002","15.0399","0.0005","90","","99.417","0.001","90","","1048.01","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 S -","- C23 H24 Cl N O4 S -","- C46 H48 Cl2 N2 O8 S2 -","2","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0426","0.0345","","","0.0818","0.0849","","","","","","1.074","","","","has coordinates","282283","2023-04-04","09:54:43",""
"1568424","9.0235","0.0003","10.1775","0.0004","11.8976","0.0005","81.443","0.002","73.982","0.002","76.298","0.002","1016.25","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 O4 Pd S2 -","- C20 H22 O4 Pd S2 -","- C40 H44 O8 Pd2 S4 -","2","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0347","0.0265","","","0.0915","0.1067","","","","","","0.883","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568425","10.1765","0.0004","28.3513","0.0011","9.7423","0.0004","90","","106.951","0.001","90","","2688.7","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 O4 P Pd S -","- C30 H29 O4 P Pd S -","- C120 H116 O16 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0585","0.044","","","0.0808","0.0852","","","","","","1.149","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568426","9.7129","0.0004","11.885","0.0004","24.9669","0.0009","90","","90","","90","","2882.12","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0173","0.0163","","","0.0389","0.0392","","","","","","1.086","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568427","9.6976","0.0005","11.8942","0.0007","24.9749","0.0015","90","","90","","90","","2880.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0164","0.0155","","","0.038","0.0385","","","","","","1.085","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568428","16.0038","0.0001","13.5032","0.0001","25.4153","0.0001","90","","97.519","0.001","90","","5445.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H83 Al N4 Si2 -","- C57 H83 Al N4 Si2 -","- C228 H332 Al4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.1056","0.1104","","","","","","1.012","","","","has coordinates","282290","2023-04-04","09:59:14",""
"1568429","21.4197","0.0001","13.5245","0.0001","19.6839","0.0001","90","","103.151","0.001","90","","5552.7","0.06","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H88 Al Cu N4 Si2 -","- C53 H88 Al Cu N4 Si2 -","- C212 H352 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0278","0.0273","","","0.0729","0.0734","","","","","","1.023","","","","has coordinates,has disorder","282290","2023-04-04","09:59:17",""
"1568430","12.225","0.0002","12.4368","0.0002","27.9562","0.0004","81.885","0.001","86.337","0.001","74.292","0.002","4049.28","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Al Cu N4 Si2 -","- C86 H122 Al Cu N4 Si2 -","- C172 H244 Al2 Cu2 N8 Si4 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0413","0.0358","","","0.0904","0.0947","","","","","","1.025","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568431","15.0696","0.0004","16.5798","0.0005","20.4317","0.0004","90","","91.457","0.002","90","","5103.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Al Cu N4 Si3 -","- C46 H80 Al Cu N4 Si3 -","- C184 H320 Al4 Cu4 N16 Si12 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.071","0.048","","","0.1087","0.1207","","","","","","1.018","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568432","16.2074","0.0003","12.7848","0.0002","24.4265","0.0005","90","","100.576","0.002","90","","4975.39","0.16","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C188 H320 Al4 Cu4 N16 Si8 -","- C188 H320 Al4 Cu4 N16 Si8 -","- C188 H320 Al4 Cu4 N16 Si8 -","1","0.25","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0537","0.0368","","","0.0853","0.0928","","","","","","1.03","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568433","15.0236","0.0001","21.9618","0.0001","21.1294","0.0002","90","","90","","90","","6971.55","0.09","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H104 Al Cu N4 Si2 -","- C75 H104 Al Cu N4 Si2 -","- C300 H416 Al4 Cu4 N16 Si8 -","4","0.5","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0424","0.0351","","","0.0917","0.0965","","","","","","1.024","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568434","13.2732","0.0002","17.1411","0.0003","34.2337","0.0006","97.978","0.001","98.341","0.001","96.908","0.002","7553","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C160 H220 Al2 Cu4 N6 Si4 -","- C160 H220 Al2 Cu4 N6 Si4 -","- C320 H440 Al4 Cu8 N12 Si8 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0612","0.0425","","","0.0943","0.1016","","","","","","1.05","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568435","20.8885","0.0002","13.8728","0.0001","19.6118","0.0002","90","","101.347","0.001","90","","5572.06","0.09","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H80 Al Cu N4 Si2 -","- C57 H80 Al Cu N4 Si2 -","- C228 H320 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.039","0.0371","","","0.0903","0.0921","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568436","12.40965","0.00005","23.21981","0.0001","25.09012","0.00011","90","","92.1704","0.0004","90","","7224.52","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 Al Cu N6 Si2 -","- C74 H112 Al Cu N6 Si2 -","- C296 H448 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0346","0.031","","","0.0829","0.0857","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568437","13.5126","0.0001","23.3252","0.0001","23.6673","0.0002","90","","105.075","0.001","90","","7202.84","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H114 Al Cu N6 Si2 -","- C74 H114 Al Cu N6 Si2 -","- C296 H456 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0495","0.0432","","","0.1129","0.1185","","","","","","1.022","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568438","12.6138","0.0003","20.7585","0.0004","22.1325","0.0004","90","","93.689","0.002","90","","5783.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H88 Al Cu N4 Si4 -","- C51 H88 Al Cu N4 Si4 -","- C204 H352 Al4 Cu4 N16 Si16 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0509","0.0348","","","0.0844","0.092","","","","","","1.039","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568439","10.1214","0.0002","22.1032","0.0005","16.8012","0.0004","90","","106.045","0.001","90","","3612.27","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Ga P -","- C40 H52 Ga P -","- C160 H208 Ga4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0416","0.0344","","","0.0847","0.0902","","","","","","1.028","","","","has coordinates","282291","2023-04-04","09:59:50",""
"1568440","10.6093","0.0002","12.7651","0.0002","20.7583","0.0003","80.862","0.001","81.858","0.001","65.926","0.001","2524.94","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H64 Ga P -","- C46 H64 Ga P -","- C92 H128 Ga2 P2 -","2","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0424","0.0391","","","0.1078","0.1109","","","","","","1.041","","","","has coordinates,has disorder","282291","2023-04-04","09:59:53",""
"1568441","11.9426","0.001","18.1472","0.0016","12.6846","0.001","90","","98.094","0.003","90","","2721.7","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O P -","- C31 H37 O P -","- C124 H148 O4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0357","0.0342","","","0.0893","0.0908","","","","","","1.039","","","","has coordinates","282291","2023-04-04","10:00:03",""
"1568442","9.4139","0.0004","9.7021","0.0004","10.4201","0.0004","63.457","0.001","80.694","0.002","85.381","0.001","840.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Br N P -","- C19 H19 Br N P -","- C38 H38 Br2 N2 P2 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1153","0.0496","","","0.0857","0.1048","","","","","","1.016","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568443","10.6424","0.0012","12.4166","0.0015","14.4706","0.0017","90","","93.167","0.004","90","","1909.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br P -","- C21 H22 Br P -","- C84 H88 Br4 P4 -","4","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1175","0.0504","","","0.0727","0.0874","","","","","","0.998","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568444","13.9907","0.0003","14.6428","0.0004","21.7567","0.0006","90","","90","","90","","4457.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Br N O P -","- C23 H29 Br N O P -","- C184 H232 Br8 N8 O8 P8 -","8","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.0807","0.0425","","","0.0821","0.0954","","","","","","1.036","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568445","10.3306","0.0009","10.6126","0.0009","13.3397","0.0011","82.341","0.003","72.934","0.003","82.482","0.003","1379.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30.5 Br N O0.25 P2 -","- C32 H30.5 Br N O0.25 P2 -","- C64 H61 Br2 N2 O0.5 P4 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1151","0.0528","","","0.1044","0.1276","","","","","","1.017","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568446","8.3434","0.0002","9.5869","0.0003","25.257","0.0006","90","","90","","90","","2020.24","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Liu, Xin-Lian; Lin, Han-Ze; Tan, Lu-Qi; Peng, Jin-Bao","Palladium- and Brønsted acid-catalyzed enantio-, site- and E/Z-selective addition of alkylidenecyclopropanes with imines","Chemical Science","2023","14","9","2348","2352","10.1039/D2SC05674G","","x-ray","1.54184","CuKα","","0.0387","0.0376","","","0.0931","0.0937","","","","","","1.071","","","","has coordinates","281386","2023-03-04","18:01:40",""
"1568447","11.1005","0.0004","11.3249","0.0004","18.9146","0.0004","103.931","0.002","93.575","0.002","116.835","0.004","2018.76","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 Fe2 N4 -","- C44 H56 Fe2 N4 -","- C88 H112 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","1.54184","CuKα","","0.0909","0.0708","","","0.2625","0.2948","","","","","","1.031","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568448","11.9085","0.0004","11.0443","0.0004","17.499","0.0007","90","","94.175","0.002","90","","2295.38","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.7749","Synchrotron","","0.0338","0.0291","","","0.0658","0.0678","","","","","","1.04","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568449","11.8009","0.0005","10.9639","0.0004","17.4087","0.0007","90","","94.329","0.004","90","","2245.98","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H62.15 D1.85 Fe2 N4 -","- C51 H62.15 D1.85 Fe2 N4 -","- C102 H124.3 D3.7 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0689","0.0642","","","0.1228","0.1261","","","","","","1.042","","","","has coordinates,has disorder","281385","2023-03-04","18:01:32",""
"1568450","11.8026","0.0003","10.9628","0.0003","17.4178","0.0005","90","","94.36","0.003","90","","2247.16","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0633","0.0568","","","0.1134","0.1175","","","","","","1.025","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568451","9.1643","0.0007","9.1814","0.0007","10.4783","0.0009","90","","115.381","0.006","90","","796.56","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2-methyl-1H-quinazolin-4-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","","Koleda, Olesja; Prenzel, Tobias; Winter, Johannes; Hirohata, Tomoki; de Jesús Gálvez-Vázquez, María; Schollmeyer, Dieter; Inagi, Shinsuke; Suna, Edgars; Waldvogel, Siegfried R.","Simple and scalable electrosynthesis of 1H-1-hydroxy-quinazolin-4-ones","Chemical Science","2023","14","10","2669","2675","10.1039/D3SC00266G","","","0.71073","MoKα","","0.0961","0.0645","","","0.1532","0.1769","","","","","","1.123","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568452","9.3198","0.0003","11.1833","0.0004","26.6506","0.0007","90","","99.812","0.001","90","","2737.06","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","1","","Tan, Guangying; Paulus, Fritz; Petti, Alessia; Wiethoff, Maxim-Aleksa; Lauer, Anna; Daniliuc, Constantin; Glorius, Frank","Metal-free photosensitized radical relay 1,4-carboimination across two distinct olefins","Chemical Science","2023","14","9","2447","2454","10.1039/D2SC06497A","","single crystal","0.71073","MoKα","","0.057","0.0423","","","0.0926","0.1006","","","","","","1.059","","","","has coordinates","281388","2023-03-04","18:01:57",""
"1568453","9.1685","0.0004","7.7161","0.0003","16.7661","0.0006","90","","99.439","0.004","90","","1170.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 F3 I3 N -","- C8 H2 F3 I3 N -","- C32 H8 F12 I12 N4 -","4","1","","Kumar, Lavanya; Leko, Katarina; Nemec, Vinko; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions","Chemical Science","2023","14","12","3140","3146","10.1039/D2SC06770F","","x-ray","0.71073","MoKα","","0.0484","0.0463","","","0.1135","0.1156","","","","","","1.159","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568454","14.3154","0.0003","26.4615","0.0006","6.2605","0.0002","90","","90","","90","","2371.52","0.11","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H28 B F4 N O2 -","- C25 H28 B F4 N O2 -","- C100 H112 B4 F16 N4 O8 -","4","1","","Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng","Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes","Chemical Science","2023","14","9","2342","2347","10.1039/D2SC06472C","","","1.54178","CuKα","","0.0399","0.0395","","","0.1032","0.1038","","","","","","1.066","","","","has coordinates,has disorder","281387","2023-03-04","18:01:48",""
"1568455","8.6133","0.0004","14.6051","0.0006","15.5136","0.0008","62.663","0.002","79.227","0.002","82.934","0.002","1701.53","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H26 Au F7 N3 O4 P S2 -","- C33 H26 Au F7 N3 O4 P S2 -","- C66 H52 Au2 F14 N6 O8 P2 S4 -","2","1","","Dhara, Ayan; Fadler, Rachel E.; Chen, Yusheng; Köttner, Laura A; Van Craen, David; Carta, Veronica; Flood, Amar H.","Orthogonal, modular anion-cation and cation-anion self-assembly using pre-programmed anion binding sites.","Chemical science","2023","14","10","2585","2595","10.1039/d2sc05121d","","","0.71073","MoKα","","0.0229","0.0213","","","0.0506","0.0514","","","","","","1.03","","","","has coordinates,has disorder","283150","2023-05-05","00:54:22",""
"1568456","8.7612","0.0011","13.2409","0.0016","17.624","0.002","93.211","0.006","98.646","0.006","97.221","0.006","1999.4","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-Th","","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","1","0.5","","Zhu, Weigang; Li, Guoping; Mukherjee, Subhrangsu; Powers-Riggs, Natalia E.; Jones, Leighton O.; Gann, Eliot; Kline, R. Joseph; Herzing, Andrew; Logsdon, Jenna L.; Flagg, Lucas; Stern, Charlotte L.; Young, Ryan M.; Kohlstedt, Kevin L.; Schatz, George C.; DeLongchamp, Dean M.; Wasielewski, Michael R.; Melkonyan, Ferdinand S.; Facchetti, Antonio; Marks, Tobin J.","Quantitative relationships between film morphology, charge carrier dynamics, and photovoltaic performance in bulk-heterojunction binary vs. ternary acceptor blends","Energy & Environmental Science","2023","16","3","1234","1250","10.1039/D2EE03883H","","","1.54178","CuKα","","0.041","0.0375","","","0.1002","0.1024","","","","","","1.05","","","","has coordinates","282340","2023-04-04","10:18:59",""
"1568457","35.828","0.002","18.4081","0.0009","6.6356","0.0003","90","","90","","90","","4376.3","0.4","150.15","","150.15","","","","","","","","","5","I b a m","-I 2 2c","72","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C19 H13 N3 O8 Pt -","- C19 H13 N3 O8 Pt -","- C152 H104 N24 O64 Pt8 -","8","0.5","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","1.54184","CuKα","","0.1065","0.0813","","","0.2449","0.275","","","","","","1.066","","","","has coordinates,has disorder","286130","2023-09-05","19:54:16",""
"1568458","6.8945","0.0002","15.5988","0.0004","14.7127","0.0005","90","","102.975","0.003","90","","1541.89","0.08","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C19 H13 N3 O Pt -","- C19 H13 N3 O Pt -","- C76 H52 N12 O4 Pt4 -","4","1","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","0.71073","MoKα","","0.0501","0.029","","","0.0402","0.0448","","","","","","1.037","","","","has coordinates","286130","2023-09-05","19:54:18",""
"1568459","7.273","0.0002","11.5993","0.0002","21.8397","0.0004","87.882","0.002","85.973","0.002","83.861","0.002","1826.54","0.07","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C41 H32 Cl2 N6 O4 Pt2 -","- C41 H32 Cl2 N6 O4 Pt2 -","- C82 H64 Cl4 N12 O8 Pt4 -","2","1","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","1.54184","CuKα","","0.0507","0.0479","","","0.1283","0.1325","","","","","","1.036","","","","has coordinates","286130","2023-09-05","19:54:20",""
"1568460","16.3158","0.0003","17.0494","0.0003","17.7725","0.0004","61.57","0.001","70.355","0.001","68.327","0.001","3961.72","0.14","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H90 Cl2 Ni5 S10 -","- C81 H90 Cl2 Ni5 S10 -","- C162 H180 Cl4 Ni10 S20 -","2","1","","Funaki, Sota; Kawawaki, Tokuhisa; Okada, Tomoshige; Takemae, Kana; Hossain, Sakiat; Niihori, Yoshiki; Naito, Takumi; Takagi, Makito; Shimazaki, Tomomi; Kikkawa, Soichi; Yamazoe, Seiji; Tachikawa, Masanori; Negishi, Yuichi","Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster.","Nanoscale","2023","15","11","5201","5208","10.1039/d2nr06952k","","x-ray","0.71073","MoKα","","0.037","0.0331","","","0.0726","0.0756","","","","","","1.019","","","","has coordinates","282342","2023-04-04","10:20:01",""
"1568461","3.9473","0.0002","11.3841","0.0005","32.7877","0.0016","90","","90","","90","","1473.36","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0521","0.0395","","","0.0931","0.1134","","","","","","1.118","","","","has coordinates","283372","2023-05-05","02:51:10",""
"1568462","9.4517","0.0003","23.2662","0.0004","10.4808","0.0007","90","","90","","90","","2304.78","0.17","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H27 O2 Rh S2 -","- C25 H27 O2 Rh S2 -","- C100 H108 O8 Rh4 S8 -","4","0.5","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0417","0.0325","","","0.0643","0.0674","","","","","","1.154","","","","has coordinates,has disorder","283372","2023-05-05","02:51:13",""
"1568463","9.9782","0.0004","12.4346","0.0005","17.8296","0.0007","73.003","0.003","80.029","0.003","78.029","0.003","2054.55","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H60 Cl2 O3 P2 Ru S2 -","- C37 H60 Cl2 O3 P2 Ru S2 -","- C74 H120 Cl4 O6 P4 Ru2 S4 -","2","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","x-ray","0.71073","MoKα","","0.0605","0.0477","","","0.1262","0.1334","","","","","","1.049","","","","has coordinates","283372","2023-05-05","02:51:14",""
"1568464","8.7932","0.0006","21.5764","0.0009","32.252","0.002","90","","95.172","0.005","90","","6094.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 B2 F20 O4 S4 -","- C65 H46 B2 F20 O4 S4 -","- C260 H184 B8 F80 O16 S16 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.1484","0.0515","","","0.0978","0.1244","","","","","","0.828","","","","has coordinates,has disorder","283372","2023-05-05","02:51:14",""
"1568465","15.233","0.0002","15.233","0.0002","31.8165","0.0008","90","","90","","120","","6393.7","0.2","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C105 Br19 Mn2 N6 Pb3 -","- C105 Br19 Mn2 N6 Pb3 -","- C210 Br38 Mn4 N12 Pb6 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.1584","0.1432","","","0.3811","0.3947","","","","","","2.829","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568466","15.1977","0.0002","15.1977","0.0002","31.6698","0.0005","90","","90","","120","","6334.78","0.15","149.98","0.1","149.98","0.1","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C60 Br19 N6 Pb3 Zn2 -","- C60 Br19 N6 Pb3 Zn2 -","- C120 Br38 N12 Pb6 Zn4 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.0659","0.0591","","","0.1717","0.1791","","","","","","1.064","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568467","20.4084","0.0009","8.4516","0.0004","18.5924","0.0008","90","","122.186","0.001","90","","2714.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb -","- C20 H44 Br4 N2 Pb -","- C80 H176 Br16 N8 Pb4 -","4","0.5","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","0.71073","MoKα","","0.0224","0.022","","","0.0598","0.06","","","","","","1.118","","","","has coordinates","282345","2023-04-04","10:21:06",""
"1568468","8.3546","0.0006","10.7094","0.0008","17.5246","0.0012","90","","97.648","0.001","90","","1554.03","0.19","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Al N2 -","- C16 H21 Al N2 -","- C64 H84 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0701","0.0461","","","0.1184","0.1302","","","","","","1.026","","","","has coordinates","281605","2023-03-04","18:46:44",""
"1568469","8.8305","0.0014","12.0231","0.0019","16.87","0.003","90","","90","","90","","1791.1","0.5","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Al N2 -","- C18 H25 Al N2 -","- C72 H100 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1579","0.0567","","","0.1001","0.1251","","","","","","1.002","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568470","8.6071","0.0014","16.636","0.003","15.272","0.003","90","","91.136","0.006","90","","2186.3","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Al N2 -","- C22 H33 Al N2 -","- C88 H132 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1409","0.0722","","","0.173","0.2165","","","","","","1.055","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568471","14.4175","0.0013","8.7391","0.0008","14.9864","0.0013","90","","110.192","0.001","90","","1772.2","0.3","298.15","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Al F5 N2 -","- C16 H16 Al F5 N2 -","- C64 H64 Al4 F20 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0835","0.0518","","","0.1396","0.1584","","","","","","1.038","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568472","8.0744","0.0004","12.6305","0.0008","18.8429","0.0011","90","","90","","90","","1921.67","0.19","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Al N2 -","- C19 H27 Al N2 -","- C76 H108 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0853","0.0504","","","0.1168","0.1332","","","","","","1.03","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568473","8.5573","0.0006","8.8128","0.0006","13.3517","0.0009","87.309","0.001","77.928","0.001","89.453","0.001","983.55","0.12","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Al F6 N2 -","- C18 H19 Al F6 N2 -","- C36 H38 Al2 F12 N4 -","2","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0801","0.0503","","","0.128","0.1431","","","","","","1.034","","","","has coordinates,has disorder","281605","2023-03-04","18:46:54",""
"1568474","5.177","0.0004","10.4037","0.0011","15.1011","0.0011","100.491","0.004","97.244","0.004","96.51","0.004","785.58","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N4 O4 S2 -","- C30 H42 N4 O4 S2 -","- C30 H42 N4 O4 S2 -","1","0.5","","Yang, Wei; Zhang, Dayong; Yu, Junsheng; Zhang, Qing","Carboxamide and carbamate substituted π-conjugated polymers: the effect of hydrogen bonding on photovoltaic properties","Polymer Chemistry","2023","14","7","839","847","10.1039/D2PY01329K","","","1.54178","CuKα","","0.1086","0.0978","","","0.3007","0.3232","","","","","","1.356","","","","has coordinates","281040","2023-02-20","13:17:37",""
"1568475","5.1062","0.0002","15.6416","0.0006","18.7651","0.0007","82.251","0.002","89.811","0.002","86.607","0.002","1482.45","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H82 N8 O4 S4 -","- C60 H82 N8 O4 S4 -","- C60 H82 N8 O4 S4 -","1","0.5","","Yang, Wei; Zhang, Dayong; Yu, Junsheng; Zhang, Qing","Carboxamide and carbamate substituted π-conjugated polymers: the effect of hydrogen bonding on photovoltaic properties","Polymer Chemistry","2023","14","7","839","847","10.1039/D2PY01329K","","","1.54178","CuKα","","0.1537","0.1062","","","0.2796","0.3196","","","","","","1.022","","","","has coordinates","281040","2023-02-20","13:17:38",""
"1568476","9.8279","0.0007","9.8279","0.0007","8.0179","0.0009","90","","90","","120","","670.68","0.1","100","2","99.97","0.12","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H30 B P -","- C36 H30 B P -","- C36 H30 B P -","1","0.0833333","","Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo","An easy-to-perform evaluation of steric properties of Lewis acids","Chemical Science","2023","14","9","2275","2288","10.1039/D3SC00037K","","x-ray","1.54184","CuKα","","0.0693","0.0536","","","0.1434","0.1562","","","","","","1.107","","","","has coordinates,has disorder","281389","2023-03-04","18:02:05",""
"1568477","10.4114","0.0014","8.5418","0.0011","17.017","0.002","90","","92.924","0.004","90","","1511.4","0.3","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 Pd -","- C17 H15 N5 Pd -","- C68 H60 N20 Pd4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0451","0.0274","","","0.0621","0.0682","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568478","14.758","0.004","17.469","0.005","20.212","0.006","101.902","0.007","102.431","0.007","113.691","0.007","4403","2","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H138 N10 O6 Pd2 Yb2 -","- C82 H106 N10 O2 Pd2 Yb2 -","- C164 H212 N20 O4 Pd4 Yb4 -","2","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.153","0.0674","","","0.1502","0.1898","","","","","","0.999","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568479","14.7945","0.0004","34.6792","0.0012","17.851","0.0005","90","","111.427","0.002","90","","8525.6","0.5","149.99","","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H114 N10 Pd2 Yb2 -","- C95 H114 N10 Pd2 Yb2 -","- C380 H456 N40 Pd8 Yb8 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0902","0.0515","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates,has disorder","282621","2023-04-13","12:20:30",""
"1568480","8.508","0.0009","16.1094","0.0016","21.445","0.002","90","","91.493","0.002","90","","2938.2","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Pd Yb -","- C32 H51 Pd Yb -","- C128 H204 Pd4 Yb4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0386","0.0275","","","0.0588","0.0645","","","","","","1.106","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568481","15.7166","0.0004","13.6208","0.0003","26.5397","0.0006","90","","91.637","0.001","90","","5679.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Yb2 -","- C64 H84 N2 Pd Yb2 -","- C256 H336 N8 Pd4 Yb8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0324","0.0294","","","0.0709","0.0725","","","","","","1.076","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568482","15.7006","0.0011","13.8198","0.0008","26.6978","0.0017","90","","91.602","0.003","90","","5790.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Sm2 -","- C64 H84 N2 Pd Sm2 -","- C256 H336 N8 Pd4 Sm8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0594","0.0378","","","0.0685","0.0739","","","","","","0.891","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568483","16.934","0.005","19.721","0.006","18.703","0.006","90","","90.809","0.004","90","","6245","3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","CDACuSbI","","- C12 H33 Cu I8 N4 O0.5 Sb -","- C12 H33 Cu I8 N4 O0.5 Sb -","- C96 H264 Cu8 I64 N32 O4 Sb8 -","8","2","","Li, Qian-Wen; Bi, Le-Yu; Lassoued, Mohamed Saber; Luo, Qian-Cheng; Yan, Rong; Ding, Xin-Kai; Gou, Gao-Yang; Zheng, Yan-Zhen","Two-dimensional semiconducting Cu(I)/Sb(III) bimetallic hybrid iodides with a double perovskite structure and photocurrent response.","Nanoscale","2023","15","11","5265","5273","10.1039/d2nr06996b","","","0.71073","MoKα","","0.0997","0.0441","","","0.0774","0.0939","","","","","","0.987","","","","has coordinates","282344","2023-04-04","10:20:42",""
"1568484","32.362","0.01","8.491","0.002","19.599","0.006","90","","125.168","0.003","90","","4402","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(CA)4CuSbI8H2O","","- C24 H58 Cu I8 N4 O Sb -","- C24 H58 Cu I8 N4 O Sb -","- C96 H232 Cu4 I32 N16 O4 Sb4 -","4","0.5","","Li, Qian-Wen; Bi, Le-Yu; Lassoued, Mohamed Saber; Luo, Qian-Cheng; Yan, Rong; Ding, Xin-Kai; Gou, Gao-Yang; Zheng, Yan-Zhen","Two-dimensional semiconducting Cu(I)/Sb(III) bimetallic hybrid iodides with a double perovskite structure and photocurrent response.","Nanoscale","2023","15","11","5265","5273","10.1039/d2nr06996b","","","0.71073","MoKα","","0.0928","0.0483","","","0.11","0.1274","","","","","","1.027","","","","has coordinates","282344","2023-04-04","10:20:49",""
"1568485","16.1038","0.0017","24.54","0.003","26.56","0.002","90","","95.069","0.004","90","","10455.1","1.9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C124 H102 O2 -","- C124 H102 O2 -","- C496 H408 O8 -","4","0.5","","Li, Shengtao; Li, Ranran; Zhang, Yi-Kang; Wang, Shutao; Ma, Bin; Zhang, Bin; An, Peng","BINOL-like atropisomeric chiral nanographene.","Chemical science","2023","14","12","3286","3292","10.1039/d2sc06244e","","","0.71073","MoKα","","0.1946","0.1053","","","0.3087","0.3512","","","","","","1.045","","","","has coordinates","282303","2023-04-04","10:04:12",""
"1568486","22.0386","0.0015","13.2446","0.0003","11.5475","0.0008","90","","137.586","0.013","90","","2273.4","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C96 H124 N4 O24 -","4","1","","Li, Longbo; Matsuo, Bianca; Levitre, Guillaume; McClain, Edward J.; Voight, Eric A.; Crane, Erika A.; Molander, Gary A.","Dearomative intermolecular [2 + 2] photocycloaddition for construction of C(sp<sup>3</sup>)-rich heterospirocycles on-DNA.","Chemical science","2023","14","10","2713","2720","10.1039/d3sc00144j","","x-ray","1.54184","CuKα","","0.0415","0.0392","","","0.1042","0.1069","","","","","","1.079","","","","has coordinates","282282","2023-04-04","09:54:25",""
"1568487","11.6897","0.0006","8.7462","0.0004","27.9426","0.0014","90","","97.984","0.003","90","","2829.2","0.2","297","2","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H25 Cl N4 O3 S -","- C31 H25 Cl N4 O3 S -","- C124 H100 Cl4 N16 O12 S4 -","4","2","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","","1.54178","CuKα","","0.0606","0.0455","","","0.1071","0.1176","","","","","","1.096","","","","has coordinates","282289","2023-04-04","09:57:27",""
"1568488","8.30066","0.00014","8.18447","0.00013","16.4485","0.0003","90","","104.387","0.0018","90","","1082.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0338","0.0327","","","0.0857","0.0865","","","","","","1.09","","","","has coordinates","282289","2023-04-04","09:57:32",""
"1568489","9.7606","0.0001","10.331","0.0001","21.9651","0.0003","90","","90","","90","","2214.89","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O2 -","- C27 H25 N3 O2 -","- C108 H100 N12 O8 -","4","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0344","0.0309","","","0.0739","0.0755","","","","","","1.04","","","","has coordinates","282289","2023-04-04","09:57:37",""
"1568490","12.7468","0.0003","13.2446","0.0003","5.6541","0.0001","90","","95.839","0.0016","90","","949.61","0.04","2","","2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0348","0.0331","","","0.0796","0.0805","","","","2.5","2.5","2.49","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568491","12.8159","0.0003","13.3648","0.0003","5.6774","0.0001","90","","95.999","0.002","90","","967.11","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0633","0.0628","","","0.1584","0.1601","","","","","","1.052","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568492","12.5261","0.0005","13.0853","0.001","5.5409","0.0017","90","","96.56","0.006","90","","902.3","0.3","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium nickel trithiocyanate","","- C6 Cs2 N6 Ni2 S6 -","- C6 Cs2 N6 Ni2 S6 -","- C12 Cs4 N12 Ni4 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.45678","neutron","","0.1483","0.1139","","","0.1172","0.1193","","","","4.55","4.55","3.72","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568493","12.7661","0.0003","13.2731","0.0004","5.6588","0.0002","90","","95.9037","0.0017","90","","953.77","0.05","50","","50","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0355","0.0347","","","0.0838","0.0848","","","","1.96","1.96","1.96","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568494","12.8136","0.0005","13.4916","0.0007","5.6692","0.0002","90","","96.346","0.002","90","","974.06","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0427","0.0386","","","0.0726","0.0761","","","","1.71","1.71","1.7","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568495","12.6103","0.0001","13.2395","0.0002","5.5786","0.0001","90","","96.445","0.001","90","","925.48","0.02","119.99","0.19","119.99","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium cobalt trithiocyanate","","- C6 Co2 Cs2 N6 S6 -","- C6 Co2 Cs2 N6 S6 -","- C12 Co4 Cs4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0192","0.0187","","","0.0476","0.0479","","","","","","1.043","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568496","12.7463","0.0003","13.2447","0.0003","5.654","0.0001","90","","95.8382","0.0016","90","","949.56","0.04","13","","13","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0351","0.035","","","0.0967","0.0968","","","","3.61","3.61","3.6","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568497","12.7469","0.0003","13.2457","0.0003","5.6542","0.0001","90","","95.8446","0.0016","90","","949.7","0.04","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0367","0.0365","","","0.1081","0.1084","","","","2.97","2.97","2.97","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568498","27.4526","0.0015","6.8462","0.0004","18.7535","0.0012","90","","90","","90","","3524.6","0.4","184","2","184","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 N3 O -","- C33 H34 N3 O -","- C132 H136 N12 O4 -","4","0.5","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0795","0.0558","","","0.1653","0.1828","","","","","","1.069","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568499","15.527","0.003","10.1852","0.0018","18.02","0.003","90","","108.352","0.007","90","","2704.8","0.8","184","2","184","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O -","- C33 H33 N3 O -","- C132 H132 N12 O4 -","4","1","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0693","0.0487","","","0.1076","0.1212","","","","","","1.045","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568500","8.0803","0.0008","17.2484","0.0018","16.5592","0.0014","90","","90.883","0.004","90","","2307.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N O4 S2 -","- C25 H22 N O4 S2 -","- C100 H88 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.114","0.072","","","0.1858","0.2432","","","","","","1.159","","","","has coordinates","282288","2023-04-04","09:56:43",""
"1568501","23.4887","0.0017","5.6869","0.0004","14.3647","0.001","90","","107.81","","90","","1826.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C76 H76 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.1097","0.0601","","","0.1327","0.1595","","","","","","1.008","","","","has coordinates","282288","2023-04-04","09:56:44",""
"1568502","14.5275","0.0002","8.9371","0.0001","31.1191","0.0005","90","","102.802","0.002","90","","3939.87","0.1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 N7 -","- C49 H43 N7 -","- C196 H172 N28 -","4","1","","Tripathi, Shivani; Halder, Sayan; Prusti, Banchhanidhi; Chakraborty, Chanchal; Chakravarty, Manab","Flexibility-driven 1D-structural preference in a bis-terpyridine-Fe(ii)-metallo-supramolecular polymer possessing potential tricolor electrochromism","Polymer Chemistry","2023","14","12","1359","1368","10.1039/D2PY01557A","","x-ray","1.54184","CuKα","","0.0558","0.0488","","","0.1338","0.1386","","","","","","1.1","","","","has coordinates","282346","2023-04-04","10:22:06",""
"1568503","13.2016","0.0016","27.457","0.004","18.236","0.002","90","","105.503","0.013","90","","6369.6","1.5","120","2","393.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C157 H181 N59 O91 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.2169","0.1233","","","0.2764","0.3306","","","","","","0.992","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568504","9.8603","0.0003","12.1228","0.0004","17.2505","0.0004","79.422","0.002","80.163","0.002","76.369","0.003","1952.25","0.1","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","1","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","x-ray","0.71073","MoKα","","0.1093","0.0729","","","0.2192","0.2514","","","","","","1.059","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568505","13.0369","0.0018","27.261","0.003","18.467","0.003","90","","105.569","0.015","90","","6322.3","1.6","119","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Co N12 O25 V6 Zn -","- C42 H39 Co N12 O23 V6 Zn -","- C168 H156 Co4 N48 O92 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.195","0.1281","","","0.3164","0.3634","","","","","","1.098","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568506","17.1948","0.0003","15.4967","0.0002","18.288","0.0004","90","","116.713","0.003","90","","4352.96","0.18","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 N16 O23 V6 -","- C72 H120 N16 O23 V6 -","- C144 H240 N32 O46 V12 -","2","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.0722","0.0492","","","0.1241","0.1391","","","","","","1.049","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568507","10.7675","0.0003","17.3155","0.0004","17.5438","0.0005","90","","90","","90","","3270.95","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 O2 U -","- C36 H53 O2 U -","- C144 H212 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0146","0.014","","","0.033","0.0332","","","","","","1.036","","","","has coordinates","281098","2023-02-23","07:53:33",""
"1568508","9.4109","0.0016","10.8091","0.0017","14.131","0.002","94.671","0.005","103.949","0.005","92.409","0.006","1387.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C59.95 H82 I0.03 O3.95 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","1","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0277","0.0225","","","0.043","0.0444","","","","","","1.097","","","","has coordinates,has disorder","281098","2023-02-23","07:53:43",""
"1568509","17.9293","0.0018","10.2778","0.001","19.647","0.002","90","","101.133","0.0017","90","","3552.3","0.6","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H96 O6 U2 -","- C86 H96 O6 U2 -","- C172 H192 O12 U4 -","2","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0579","0.0315","","","0.0536","0.0587","","","","","","0.968","","","","has coordinates","281098","2023-02-23","07:53:55",""
"1568510","13.266","0.004","16.193","0.005","15.544","0.005","90","","97.637","0.004","90","","3309.5","1.8","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 O2 U -","- C38 H52 O2 U -","- C152 H208 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0547","0.0333","","","0.0638","0.073","","","","","","1.067","","","","has coordinates","281098","2023-02-23","07:53:56",""
"1568511","10.5339","0.0009","26.165","0.002","21.8935","0.0018","90","","90.283","0.002","90","","6034.2","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 O5 U2 -","- C66 H94 O5 U2 -","- C264 H376 O20 U8 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0792","0.046","","","0.0865","0.0967","","","","","","1.052","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568512","56.6846","0.0017","56.6846","0.0017","10.2786","0.0003","90","","90","","120","","28601.9","1.5","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C70.5 H94 O6 S U2 -","- C60 H82 O6 S U2 -","- C1080 H1476 O108 S18 U36 -","18","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0592","0.0419","","","0.0972","0.1058","","","","","","1.019","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568513","43.0997","0.0015","14.4756","0.0006","20.4007","0.0007","90","","100.911","0.003","90","","12497.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H90 O7 U2 -","- C62 H82 O7 U2 -","- C496 H656 O56 U16 -","8","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.1423","0.1225","","","0.2819","0.2921","","","","","","1.18","","","","has coordinates,has disorder","281098","2023-02-23","07:53:59",""
"1568514","13.5817","0.0008","14.3505","0.0006","13.9019","0.0008","90","","116.465","0.004","90","","2425.6","0.2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H78 N2 O3 Sm -","- C55 H78 N2 O3 Sm -","- C110 H156 N4 O6 Sm2 -","2","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.079","0.0438","","","0.0888","0.1317","","","","","","1.239","","","","has coordinates,has disorder","281099","2023-02-23","07:57:44",""
"1568515","18.5124","0.0014","15.2519","0.0011","35.298","0.003","90","","90","","90","","9966.4","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H78 N2 O3 Yb -","- C55 H78 N2 O3 Yb -","- C440 H624 N16 O24 Yb8 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.1134","0.0647","","","0.133","0.1534","","","","","","1.078","","","","has coordinates,has disorder","281099","2023-02-23","07:57:52",""
"1568516","13.749","0.0009","14.0841","0.0006","26.9502","0.0017","90","","98.698","0.005","90","","5158.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Y -","- C55 H82 B N2 O3 Y -","- C220 H328 B4 N8 O12 Y4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0859","0.0526","","","0.1193","0.1378","","","","","","1.014","","","","has coordinates","281099","2023-02-23","07:57:56",""
"1568517","13.8154","0.0004","14.2166","0.0003","26.9732","0.0007","90","","99.004","0.002","90","","5232.5","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Sm -","- C55 H82 B N2 O3 Sm -","- C220 H328 B4 N8 O12 Sm4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0312","0.0242","","","0.0591","0.0617","","","","","","1.038","","","","has coordinates","281099","2023-02-23","07:58:04",""
"1568518","32.7745","0.0007","12.3366","0.0003","14.1237","0.0005","90","","90","","90","","5710.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C117 H164 N4 O6 P4 Sm2 -","- C117 H164 N4 O6 P4 Sm2 -","- C234 H328 N8 O12 P8 Sm4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0962","0.0545","","","0.1387","0.1729","","","","","","1.094","","","","has coordinates,has disorder","281099","2023-02-23","07:58:07",""
"1568519","32.1927","0.0009","12.2887","0.0004","14.1317","0.0006","90","","90","","90","","5590.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C114 H164 N4 O7 P4 Yb2 -","- C114 H164 N4 O7 P4 Yb2 -","- C228 H328 N8 O14 P8 Yb4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.07","0.0413","","","0.1106","0.1175","","","","","","0.918","","","","has coordinates,has disorder","281099","2023-02-23","07:58:09",""
"1568520","31.686","0.0019","23.6758","0.0008","16.4497","0.0009","90","","119.805","0.004","90","","10708.1","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Sm2 -","- C116 H156 K N4 O4 P3 Sm2 -","- C464 H624 K4 N16 O16 P12 Sm8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.124","0.0593","","","0.1232","0.1596","","","","","","1.032","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10",""
"1568521","31.3677","0.0014","23.7878","0.0015","16.3094","0.0007","90","","119.275","0.003","90","","10615.3","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 Dy2 K N4 O4 P3 -","- C116 H156 Dy2 K N4 O4 P3 -","- C464 H624 Dy8 K4 N16 O16 P12 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0719","0.0414","","","0.0964","0.1125","","","","","","1.027","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10",""
"1568522","13.797","0.0003","14.1608","0.0005","27.0491","0.0006","90","","98.959","0.002","90","","5220.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B Dy N2 O3 -","- C55 H82 B Dy N2 O3 -","- C220 H328 B4 Dy4 N8 O12 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0418","0.0267","","","0.0622","0.0665","","","","","","1.017","","","","has coordinates","281099","2023-02-23","07:58:11",""
"1568523","31.5819","0.0006","24.1585","0.0004","16.5122","0.0003","90","","119.726","0.001","90","","10940.5","0.4","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Y2 -","- C116 H156 K N4 O4 P3 Y2 -","- C464 H624 K4 N16 O16 P12 Y8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","1.34143","GaKα","","0.0867","0.0646","","","0.1946","0.2127","","","","","","1.056","","","","has coordinates,has disorder","281099","2023-02-23","07:58:11",""
"1568524","11.4539","0.0015","15.5189","0.0019","11.6854","0.001","90","","90","","90","","2077.1","0.4","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H24 Ag Cl N2 O4 -","- C22 H24 Ag Cl N2 O4 -","- C88 H96 Ag4 Cl4 N8 O16 -","4","0.5","","Fahrenhorst-Jones, Tyler; Marshall, David L.; Burns, Jed M.; Pierens, Gregory K.; Hormann, Robert E.; Fisher, Allison M.; Bernhardt, Paul V.; Blanksby, Stephen J.; Savage, G. Paul; Eaton, Philip E.; Williams, Craig M.","1-Azahomocubane.","Chemical science","2023","14","11","2821","2825","10.1039/d3sc00001j","","x-ray","1.54184","CuKα","","0.0591","0.0538","","","0.1552","0.1649","","","","","","1.062","","","","has coordinates,has disorder","282295","2023-04-04","10:01:31",""
"1568525","12.0681","0.0005","4.8252","0.0002","15.0066","0.0007","90","","94.654","0.004","90","","870.97","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromoisoquinoline","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C36 H32 Br4 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","0.71073","MoKα","","0.0618","0.0391","","","0.0875","0.0948","","","","","","1.037","","","","has coordinates","282293","2023-04-04","10:00:51",""
"1568526","9.8089","0.0003","8.7371","0.0002","18.3869","0.0005","90","","104.498","0.003","90","","1525.6","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(isoquinolin-1-yl)phenyl)(phenyl)methanone","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","1.54184","CuKα","","0.0803","0.0752","","","0.2394","0.2429","","","","","","1.143","","","","has coordinates","282293","2023-04-04","10:00:55",""
"1568527","16.1966","0.0005","16.5801","0.0005","16.2444","0.0005","90","","100.654","0.003","90","","4287.1","0.2","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 F3 Fe N5 O5 S -","- C13 H28 F3 Fe N5 O5 S -","- C104 H224 F24 Fe8 N40 O40 S8 -","8","2","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.1046","0.0689","","","0.2031","0.2304","","","","","","1.11","","","","has coordinates,has disorder","282296","2023-04-04","10:01:40",""
"1568528","11.791","0.002","14.711","0.003","15.692","0.003","90","","104.111","0.005","90","","2639.8","0.9","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 F6 Fe N6 O7 S2 -","- C16 H31 F6 Fe N6 O7 S2 -","- C64 H124 F24 Fe4 N24 O28 S8 -","4","1","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.115","0.0756","","","0.18","0.2012","","","","","","1.196","","","","has coordinates","282296","2023-04-04","10:01:40",""
"1568529","7.7248","0.0008","23.0566","0.0019","12.1391","0.0013","90","","103.515","0.009","90","","2102.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1345","","","","","","1.027","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568530","8.2408","0.0005","10.2565","0.0005","15.3407","0.0007","88.527","0.004","77.996","0.004","72.445","0.005","1208.25","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0765","0.0492","","","0.1219","0.1351","","","","","","1.073","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568531","10.811","0.003","8.0573","0.0019","24.254","0.005","90","","92.718","0.007","90","","2110.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Organic","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0962","0.0563","","","0.1282","0.1554","","","","","","1.028","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568532","9.2167","0.0004","13.7793","0.0006","23.2892","0.0007","78.74","0.003","88.981","0.003","86.659","0.003","2895.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58.03 Cl4.03 Cu6 N12 S6 -","- C44 H58.024 Cl4.024 Cu6 N12 S6 -","- C88 H116.048 Cl8.048 Cu12 N24 S12 -","2","1","","Wu, Haiming; Anumula, Rajini; Andrew, Gaya N.; Luo, Zhixun","A stable superatomic Cu<sub>6</sub>(SMPP)<sub>6</sub> nanocluster with dual emission.","Nanoscale","2023","15","8","4137","4142","10.1039/d2nr07223h","","x-ray","0.71073","MoKα","","0.1457","0.1189","","","0.3059","0.3213","","","","","","1.15","","","","has coordinates,has disorder","281123","2023-02-24","10:03:48",""
"1568533","11.6736","0.0002","18.459","0.0003","20.0226","0.0003","90","","93.092","0.001","90","","4308.25","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H64 La N3 O Si6 -","- C31 H64 La N3 O Si6 -","- C124 H256 La4 N12 O4 Si24 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0583","0.0619","","","","","","1.022","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568534","21.1647","0.0003","15.1053","0.0002","21.1116","0.0003","90","","90.8294","0.0013","90","","6748.65","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 La N3 O Si5 -","- C22 H50 La N3 O Si5 -","- C176 H400 La8 N24 O8 Si40 -","8","2","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0562","0.0372","","","0.0842","0.0934","","","","","","1.048","","","","has coordinates,has disorder","282300","2023-04-04","10:03:06",""
"1568535","27.6404","0.0007","15.2264","0.0003","24.752","0.0007","90","","123.939","0.004","90","","8642.5","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55 H140 B6 La2 N4 O8 Si8 -","- C55 H140 B6 La2 N4 O8 Si8 -","- C220 H560 B24 La8 N16 O32 Si32 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0673","0.0536","","","0.1334","0.1415","","","","","","1.039","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568536","8.2616","0.0003","9.3161","0.0004","10.9658","0.0004","99.275","0.001","93.184","0.001","96.722","0.001","824.85","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N5 O5 Pb -","- C18 H10 N5 O5 Pb -","- C36 H20 N10 O10 Pb2 -","2","1","","Kamal, Samrah; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","A bifunctionalised Pb-based MOF for iodine capture and dye removal","Dalton Transactions","2023","52","14","4501","4516","10.1039/D3DT00237C","","","0.71073","MoKα","","0.0262","0.0244","","","0.0641","0.0655","","","","","","1.0461","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1568537","13.678","0.003","7.1156","0.0014","9.883","0.002","90","","91.07","0.03","90","","961.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H10 N2 O10 Zn -","- C4 H10 N2 O10 Zn -","- C16 H40 N8 O40 Zn4 -","4","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.055","0.0468","","","0.1206","0.1251","","","","","","1.023","","","","has coordinates","284984","2023-07-05","11:06:30",""
"1568538","6.401","0.0019","7.613","0.002","22.401","0.006","90","","92.679","0.01","90","","1090.4","0.5","276","2","276","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1165","0.074","","","0.168","0.1873","","","","","","1.062","","","","has coordinates","282310","2023-04-04","10:06:17",""
"1568539","7.5785","0.0006","19.2356","0.0016","13.4588","0.0011","90","","92.817","0.002","90","","1959.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 S2 -","- C24 H18 N2 S2 -","- C96 H72 N8 S8 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1076","0.0731","","","0.15","0.1686","","","","","","1.178","","","","has coordinates","282310","2023-04-04","10:06:17",""
"1568540","18.2041","0.0015","12.7693","0.0013","19.5076","0.0018","90","","90","","90","","4534.6","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","ARW-II-297","ARW-II-297","","- C23 H30 O7 Si -","- C23 H30 O7 Si -","- C184 H240 O56 Si8 -","8","1","","Kerkovius, Jeff; Wong, Alice; Mak, Victor; Reisman, Sarah E.","A convergent fragment coupling strategy to access quaternary stereogenic centers","Chemical Science","2023","","","","","10.1039/D2SC07023E","","","0.71073","MoKα","","0.0621","0.0443","","","0.0997","0.1053","","","","","","1.09","","","","has coordinates","281164","2023-02-28","07:50:05",""
"1568541","16.454","0.0005","16.454","0.0005","9.7316","0.0006","90","","90","","120","","2281.7","0.17","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H0 La0.67 N O4 S -","- C9 La0.666667 N O4 S -","- C54 La4 N6 O24 S6 -","6","1","","Zhao, Xu; Sun, Lu; Zhai, Zhouxiao; Tian, Di; Wang, Ying; Zou, Xiaoqin; Min, Chungang; Zhuang, Changfu","An ultrastable La-MOF for catalytic hydrogen transfer of furfural: <i>in situ</i> activation of the surface.","Nanoscale","2023","15","14","6645","6654","10.1039/d2nr07151g","","","0.71073","MoKα","","0.0744","0.0744","","","0.2083","0.2083","","","","","","1.175","","","","has coordinates","283370","2023-05-05","02:50:25",""
"1568542","13.263","0.0013","24.954","0.002","5.6399","0.0005","90","","90","","90","","1866.6","0.3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C64 H72 Br8 N16 O16 -","8","1","","Ji, Peng; Meng, Xiang; Chen, Jing; Gao, Feng; Xu, Hang; Wang, Wei","Combining photoredox catalysis and hydrogen atom transfer for dearomative functionalization of electron rich heteroarenes.","Chemical science","2023","14","12","3332","3337","10.1039/d3sc00060e","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0473","","","","","","1.042","","","","has coordinates","282301","2023-04-04","10:03:18",""
"1568543","9.1898","0.0001","7.9984","0.0001","14.9186","0.0002","90","","94.829","0.001","90","","1092.68","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C50 H42 N2 O8 S2 -","2","1","","Zhou, Ji-Jia; Meng, Ya-Nan; Liu, Li-Gao; Liu, Yi-Xi; Xu, Zhou; Lu, Xin; Zhou, Bo; Ye, Long-Wu","Copper-catalyzed enantioselective diyne cyclization <i>via</i> C(sp<sup>2</sup>)-O bond cleavage.","Chemical science","2023","14","13","3493","3500","10.1039/d2sc06152j","","x-ray","1.54184","CuKα","","0.044","0.0419","","","0.1237","0.1248","","","","","","1.167","","","","has coordinates","282287","2023-04-04","09:56:26",""
"1568544","45.81","0.02","9.357","0.004","34.484","0.016","90","","129.632","0.005","90","","11384","9","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N14 O12 S2 Zn -","- C50 H56 N14 O12 S2 Zn -","- C400 H448 N112 O96 S16 Zn8 -","8","1","","Feng, Zhihui; Zhang, Dongxue; Guo, Hui; Su, Wenqing; Tian, Yupeng; Tian, Xiaohe","Lighting up RNA-specific multi-photon and super-resolution imaging using a novel zinc complex.","Nanoscale","2023","15","11","5486","5493","10.1039/d2nr05392f","","","0.71073","MoKα","","0.1602","0.0648","","","0.1442","0.1742","","","","","","0.915","","","","has coordinates,has disorder","282343","2023-04-04","10:20:22",""
"1568545","9.6319","0.0007","26.669","0.002","18.8824","0.0015","90","","94.412","0.003","90","","4836","0.6","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 O8 -","- C54 H36 O8 -","- C216 H144 O32 -","4","1","","Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu","Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties","Polymer Chemistry","2023","14","12","1396","1403","10.1039/D3PY00140G","","","1.54178","CuKα","","0.1221","0.0974","","","0.2934","0.3085","","","","","","1.118","","","","has coordinates","282347","2023-04-04","10:22:27",""
"1568546","9.3439","0.0011","17.753","0.002","18.6225","0.0018","83.662","0.005","76.429","0.005","87.119","0.005","2983.6","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 N4 O4 -","- C66 H64 N4 O4 -","- C132 H128 N8 O8 -","2","1","","Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu","Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties","Polymer Chemistry","2023","14","12","1396","1403","10.1039/D3PY00140G","","","1.54178","CuKα","","0.1568","0.1073","","","0.3326","0.3772","","","","","","1.337","","","","has coordinates,has disorder","282347","2023-04-04","10:22:39",""
"1568547","9.2183","0.0001","34.7939","0.0004","10.2564","0.0001","90","","91.784","0.001","90","","3288.05","0.06","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N O2 P S -","- C18 H13 Cl N O2 P S -","- C144 H104 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0489","0.0408","","","0.1036","0.1092","","","","","","1.05","","","","has coordinates","281227","2023-03-02","07:55:27",""
"1568548","15.6906","0.0003","14.9491","0.0003","18.9271","0.0004","90","","90","","90","","4439.55","0.15","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 Cl N O2 P S -","- C26 H19 Cl N O2 P S -","- C208 H152 Cl8 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0812","0.0476","","","0.1221","0.1413","","","","","","1.046","","","","has coordinates","281227","2023-03-02","07:55:31",""
"1568549","17.9194","0.0003","12.2042","0.0001","18.6576","0.0002","90","","90","","90","","4080.27","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0481","0.0383","","","0.0883","0.0932","","","","","","1.067","","","","has coordinates","281227","2023-03-02","07:55:34",""
"1568550","50.1288","0.0008","10.1911","0.0002","18.7459","0.0004","90","","90","","90","","9576.7","0.3","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H32 N O2 P S -","- C41 H32 N O2 P S -","- C492 H384 N12 O24 P12 S12 -","12","3","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0967","0.0845","","","0.2096","0.2178","","","","","","1.142","","","","has coordinates,has disorder","281227","2023-03-02","07:55:37",""
"1568551","8.8731","0.0003","10.5634","0.0003","12.9478","0.0004","106.562","0.002","99.86","0.002","107.702","0.003","1063.05","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O2 P S -","- C25 H22 N O2 P S -","- C50 H44 N2 O4 P2 S2 -","2","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0466","0.0376","","","0.0935","0.0991","","","","","","1.033","","","","has coordinates","281227","2023-03-02","07:55:47",""
"1568552","11.1666","0.0002","17.1521","0.0003","12.847","0.0002","90","","103.054","0.002","90","","2397.01","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N O2 P S -","- C29 H24 N O2 P S -","- C116 H96 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0569","0.041","","","0.099","0.1065","","","","","","1.049","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568553","15.6578","0.0004","11.5015","0.0002","15.1026","0.0004","90","","101.945","0.003","90","","2660.91","0.11","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N O2 P S -","- C33 H26 N O2 P S -","- C132 H104 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0991","0.0564","","","0.1058","0.1205","","","","","","1.046","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49",""
"1568554","8.0545","0.0002","27.2503","0.0006","18.9144","0.0005","90","","91.813","0.002","90","","4149.4","0.18","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H18.5 Cl N1.5 O2 P S -","- C23 H18.5 Cl N1.5 O2 P S -","- C184 H148 Cl8 N12 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0737","0.0467","","","0.0979","0.1029","","","","","","0.911","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568555","16.434","0.0002","15.6804","0.0002","22.1748","0.0003","90","","92.558","0.001","90","","5708.57","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Cl N O2 P S -","- C34 H25 Cl N O2 P S -","- C272 H200 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0715","0.0437","","","0.0998","0.1139","","","","","","1.026","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49",""
"1568556","7.73185","0.00008","5.91229","0.00007","19.8978","0.0002","90","","92.4788","0.001","90","","908.736","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong","Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.","Chemical science","2023","14","12","3346","3351","10.1039/d2sc06548g","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.0681","0.0682","","","","","","1.077","","","","has coordinates","282309","2023-04-04","10:06:06",""
"1568557","29.3549","0.0002","14.3817","0.0001","21.2892","0.0002","90","","106.304","0.001","90","","8626.3","0.12","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C344 H368 B12 Cu12 F48 N64 O16 -","8","1","","Kim, Heechan; Shin, Juhwan; Kim, Seyong; Lee, Dongwhan","Helical fluxionality: numerical frustration drives concerted low-barrier screw motions of a tricopper cluster.","Chemical science","2023","14","12","3265","3269","10.1039/d3sc00851g","","x-ray","1.54184","CuKα","","0.0581","0.0565","","","0.1584","0.1597","","","","","","1.055","","","","has coordinates,has disorder","282306","2023-04-04","10:04:54",""
"1568558","30.034","0.003","27.879","0.003","18.1905","0.0018","90","","97.624","0.002","90","","15097","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H158 Ag12 Au5 F12 O14 P13 S14 -","- C114 H158 Ag12 Au5 F12 O14 P13 S14 -","- C456 H632 Ag48 Au20 F48 O56 P52 S56 -","4","1","","Liao, Jian-Hong; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters.","Nanoscale","2023","15","13","6121","6125","10.1039/d3nr00509g","","","0.71073","MoKα","","0.2054","0.1084","","","0.249","0.3172","","","","","","1.104","","","","has coordinates","282341","2023-04-04","10:19:38",""
"1568559","15.878","0.003","17.651","0.003","27.489","0.005","89.453","0.004","84.379","0.005","70.43","0.006","7222","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H158 Ag10.75 Au4.25 O14 P11 Pt S14 -","- C114 H158 Ag10.75 Au4.25 O14 P11 Pt S14 -","- C228 H316 Ag21.5 Au8.5 O28 P22 Pt2 S28 -","2","1","","Liao, Jian-Hong; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters.","Nanoscale","2023","15","13","6121","6125","10.1039/d3nr00509g","","","0.71073","MoKα","","0.0529","0.0387","","","0.0863","0.0929","","","","","","1.024","","","","has coordinates,has disorder","282341","2023-04-04","10:19:44",""
"1568560","14.031","0.006","14.473","0.006","19.564","0.007","90","","90","","90","","3973","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 I N3 O5 Ru -","- C16 H24 I N3 O5 Ru -","- C128 H192 I8 N24 O40 Ru8 -","8","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0366","0.0339","","","0.0588","0.0595","","","","","","1.323","","","","has coordinates","282243","2023-04-04","09:26:22",""
"1568561","10.1596","0.0007","11.7047","0.0008","16.363","0.0011","90","","90","","90","","1945.8","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H28 Cl N3 O6 Ru -","- C16 H28 Cl N3 O6 Ru -","- C64 H112 Cl4 N12 O24 Ru4 -","4","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0247","0.0239","","","0.0525","0.0528","","","","","","1.142","","","","has coordinates","282243","2023-04-04","09:26:41",""
"1568562","15.4589","0.001","13.1592","0.0008","17.7332","0.0011","90","","98.356","0.002","90","","3569.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl N2 O3.5 Ru -","- C16 H28 Cl N2 O3.5 Ru -","- C128 H224 Cl8 N16 O28 Ru8 -","8","2","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0238","0.0195","","","0.0455","0.0468","","","","","","1.078","","","","has coordinates","282243","2023-04-04","09:26:50",""
"1568563","11.4044","0.0004","11.659","0.0004","18.3508","0.0006","77.642","0.001","77.549","0.001","83.582","0.001","2321.88","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C106 H112 B2 Cl8 N6 -","2","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.149","0.0969","","","0.2507","0.3011","","","","","","1.04","","","","has coordinates","282308","2023-04-04","10:05:44",""
"1568564","29.338","0.003","11.2565","0.0011","16.2958","0.0016","90","","90.366","0.003","90","","5381.5","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C212 H224 B4 Cl16 N12 -","4","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.1741","0.1221","","","0.3676","0.4253","","","","","","1.116","","","","has coordinates,has disorder","282308","2023-04-04","10:05:53",""
"1568565","27.1355","0.0006","29.0697","0.0006","33.4936","0.0007","67.428","0.002","80.522","0.002","62.942","0.002","21724.7","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C350 H336 N62 O71 Se2 -","- C347 H185 N62 O71 Se2 -","- C694 H370 N124 O142 Se4 -","2","1","","Menke, Friedericke S.; Wicher, Barbara; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","An abiotic, tetrameric, eight-helix bundle.","Chemical science","2023","14","14","3742","3751","10.1039/d3sc00267e","","","1.54184","CuKα","","0.1722","0.1553","","","0.4558","0.4739","","","","","","2.094","","","","has coordinates","283175","2023-05-05","01:08:38",""
"1568566","9.5281","0.0006","11.0226","0.0007","11.2386","0.0007","102.796","0.005","97.883","0.005","112.732","0.005","1028.54","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","1","0.5","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0557","0.0468","","","0.1072","0.1139","","","","","","1.194","","","","has coordinates","284223","2023-06-05","04:02:07",""
"1568567","12.8057","0.0007","14.5978","0.0009","17.7056","0.0014","90","","90","","90","","3309.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 B2 K2 O6 -","- C30 H44 B2 K2 O6 -","- C120 H176 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0355","0.0326","","","0.0833","0.0848","","","","","","1.03","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568568","12.793","0.0004","10.3041","0.0002","18.528","0.0005","90","","108.578","0.003","90","","2315.1","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B2 Cl2 S2 -","- C23 H26 B2 Cl2 S2 -","- C92 H104 B8 Cl8 S8 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0493","0.037","","","0.0962","0.1036","","","","","","1.018","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09",""
"1568569","8.4929","0.0003","9.7032","0.0003","16.0667","0.0006","85.041","0.003","82.312","0.003","84.756","0.003","1302.94","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B2 I Li O2 -","- C28 H34 B2 I Li O2 -","- C56 H68 B4 I2 Li2 O4 -","2","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0244","0.0226","","","0.0599","0.0611","","","","","","1.063","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09",""
"1568570","9.451","0.0003","27.0259","0.0012","18.235","0.0007","90","","102.177","0.003","90","","4552.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 B2 K2 O6 -","- C48 H64 B2 K2 O6 -","- C192 H256 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0731","0.05","","","0.1032","0.1114","","","","","","1.058","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568571","36.4809","0.0003","14.42217","0.00012","7.54283","0.00007","90","","90","","90","","3968.54","0.06","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H33 O3.5 -","- C23 H33 O3.5 -","- C184 H264 O28 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0409","0.0387","","","0.1024","0.1041","","","","","","1.045","","","","has coordinates","283190","2023-05-05","01:13:34",""
"1568572","7.46953","0.00017","17.2423","0.0004","25.6766","0.0006","90","","90","","90","","3306.94","0.13","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C168 H208 O24 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0461","0.0406","","","0.1035","0.1073","","","","","","1.059","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568573","9.6931","0.0004","25.8093","0.0008","7.4931","0.0003","90","","102.745","0.004","90","","1828.38","0.12","113.15","","113.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C92 H120 O8 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0613","0.0503","","","0.1148","0.1241","","","","","","1.031","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568574","13.3523","0.0001","7.5495","0.0001","16.8408","0.0001","90","","98.785","0.001","90","","1677.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0439","0.0404","","","0.1079","0.1106","","","","","","1.083","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568575","9.484","0.0003","13.8807","0.0003","14.0827","0.0003","90","","90","","90","","1853.91","0.08","113.15","","113.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0397","0.0356","","","0.089","0.0916","","","","","","1.044","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568576","13.6639","0.0013","9.0204","0.0008","14.8989","0.0019","90","","115.024","0.003","90","","1664","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S6 Zn -","- C10 H10 N2 S6 Zn -","- C40 H40 N8 S24 Zn4 -","4","0.5","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0652","0.0315","","","0.0573","0.0647","","","","","","1.004","","","","has coordinates","284985","2023-07-05","11:06:43",""
"1568577","8.1617","0.0009","9.4765","0.001","12.0105","0.0015","109.535","0.004","99.066","0.004","100.714","0.004","835.64","0.17","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 S6 Zn -","- C12 H8 N2 S6 Zn -","- C24 H16 N4 S12 Zn2 -","2","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0922","0.0667","","","0.1693","0.1863","","","","","","1.065","","","","has coordinates","284985","2023-07-05","11:06:44",""
"1568578","9.175","0.0013","9.797","0.002","11.3263","0.0017","83.744","0.007","75.751","0.005","62.164","0.004","872.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","11","","- C12 H14 N2 S6 Zn -","- C12 H14 N2 S6 Zn -","- C24 H28 N4 S12 Zn2 -","2","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0571","0.0549","","","0.1269","0.1285","","","","","","1.029","","","","has coordinates","284985","2023-07-05","11:06:44",""
"1568579","18.958","0.004","7.3171","0.0017","22.257","0.005","90","","101.81","0.007","90","","3022.1","1.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 S6 Zn -","- C10 H8 N2 S6 Zn -","- C80 H64 N16 S48 Zn8 -","8","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S<sub>6</sub><sup>2-</sup> relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.1132","0.0525","","","0.0984","0.1175","","","","","","1.008","","","","has coordinates","284985","2023-07-05","11:06:44",""
"1568580","8.916","0.0007","11.0941","0.001","12.5663","0.001","94.783","0.003","103.724","0.003","107.064","0.003","1138.58","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1098","0.0609","","","0.1266","0.1406","","","","","","1.002","","","","has coordinates","281625","2023-03-05","01:55:59",""
"1568581","17.4954","0.0015","23.7716","0.0018","26.188","0.002","90","","90","","90","","10891.4","1.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C504 H416 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0948","0.0581","","","0.1464","0.1617","","","","","","1.048","","","","has coordinates","281625","2023-03-05","01:56:10",""
"1568582","15.2564","0.001","16.0253","0.0011","23.0757","0.0015","90.355","0.003","93.137","0.003","98.235","0.003","5574.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H50 Cu F3 N2 O3 P2 S -","- C63 H50 Cu F3 N2 O3 P2 S -","- C252 H200 Cu4 F12 N8 O12 P8 S4 -","4","2","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1369","0.0788","","","0.2088","0.2374","","","","","","1.047","","","","has coordinates","281625","2023-03-05","01:56:14",""
"1568583","16.7053","0.0012","14.7608","0.0011","22.8229","0.0017","90","","95.361","0.002","90","","5603.1","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H51 Cl3 Cu N3 O3 P2 -","- C63 H51 Cl3 Cu N3 O3 P2 -","- C252 H204 Cl12 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1452","0.0728","","","0.1987","0.2296","","","","","","1.093","","","","has coordinates","281625","2023-03-05","01:56:14",""
"1568584","17.979","0.003","24.99","0.004","27.167","0.004","90","","90","","90","","12206","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H59 Cl3 Cu N3 O3 P2 -","- C67 H59 Cl3 Cu N3 O3 P2 -","- C536 H472 Cl24 Cu8 N24 O24 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1042","0.0638","","","0.1608","0.1818","","","","","","1.056","","","","has coordinates","281625","2023-03-05","01:56:16",""
"1568585","13.2253","0.0004","13.2253","0.0004","40.325","0.0019","90","","90","","90","","7053.2","0.4","296","2","296","2","","","","","","","","7","P 41","P 4w","76","","","","- C69 H61 Cl9 Cu N3 O3 P2 -","- C69 H61 Cl9 Cu N3 O3 P2 -","- C276 H244 Cl36 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0778","0.0611","","","0.1616","0.17","","","","","","0.997","","","","has coordinates","281625","2023-03-05","01:56:17",""
"1568586","6.3088","0.0001","6.3088","0.0001","12.3067","0.0004","90","","90","","120","","424.195","0.017","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le","Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone","Crystals","2023","13","2","287","","10.3390/cryst13020287","","","0.71073","MoKα","","0.0449","0.0415","","","0.0847","0.0885","","","","","","1.257","","","","has coordinates","281626","2023-03-05","03:27:49",""
"1568587","8.0553","0.0003","3.7295","0.0002","7.3674","0.0003","90","","90","","90","","221.333","0.017","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0134","0.012","","","0.0257","0.0264","","","","","","1.0159","","","","has coordinates","281627","2023-03-05","03:29:23",""
"1568588","8.0405","0.0004","3.7238","0.0002","7.3585","0.0004","90","","90","","90","","220.32","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0133","0.0133","","","0.0329","0.0329","","","","","","1.0526","","","","has coordinates","281627","2023-03-05","03:29:33",""
"1568589","6.5628","0.0004","7.033","0.0004","8.7326","0.0006","90","","96.723","0.006","90","","400.29","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0186","0.0175","","","0.0396","0.04","","","","","","0.9955","","","","has coordinates","281627","2023-03-05","03:29:45",""
"1568590","6.5579","0.0002","7.0244","0.0003","8.7291","0.0003","90","","96.702","0.004","90","","399.36","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0295","0.0276","","","0.0824","0.0843","","","","","","1.0438","","","","has coordinates","281627","2023-03-05","03:29:53",""
"1568591","5.8633","0.0004","6.8363","0.0006","16.0587","0.0016","79.338","0.011","81.318","0.009","82.834","0.006","622.21","0.1","293.15","","293.15","","","","","","","","Synthesis","4","P -1","-P 1","2","Calcium sebacate","Calcium decanedioate monohydrate","","- C10 H18 Ca O5 -","- C10 H18 Ca O5 -","- C20 H36 Ca2 O10 -","2","1","","Lopresti, Mattia; Milanesio, Marco; Palin, Luca","The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data","Crystals","2023","13","2","261","","10.3390/cryst13020261","powder diffraction","x-ray","1.54175","CuKα","","3.851","","","","","","","","14.065","","","","","","","has coordinates","281628","2023-03-05","03:31:03",""
"1568592","21.211","0.0017","3.7625","0.0003","13.9555","0.0011","90","","107.653","0.003","90","","1061.29","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C48 H40 N8 O16 -","8","1","","Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V.","Solubility and Crystallization Studies of Picolinic Acid","Crystals","2023","13","3","392","","10.3390/cryst13030392","","","0.71073","MoKα","","0.0835","0.0632","","","0.1481","0.1565","","","","","","1.095","","","","has coordinates","281629","2023-03-05","03:31:48",""
"1568593","17.8167","0.0003","17.9076","0.0003","19.7519","0.0004","116.936","0.002","116.807","0.002","90.012","0.001","4846","0.2","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","1","1","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1486","0.1443","","","0.3181","0.3202","","","","","","1.091","","","","has coordinates,has disorder","281630","2023-03-05","07:50:36",""
"1568594","23.806","0.001","23.806","0.001","22.831","0.001","90","","90","","90","","12938.9","1","200.15","","200.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H168 Cl14 Mo6 O140 -","- C144 H168 Cl14 Mo6 O138 -","- C288 H336 Cl28 Mo12 O276 -","2","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","","0.71073","MoKα","","0.0811","0.0749","","","0.2134","0.2199","","","","","","1.038","","","","has coordinates","281630","2023-03-05","07:50:39",""
"1568595","35.7254","0.0005","35.7254","0.0005","34.3472","0.0012","90","","90","","90","","43837.5","1.8","130","2","130","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C192 H224 Cl42 O189.6 W18 -","- C192 H224 Cl42 O189.6 W18 -","- C768 H896 Cl168 O758.4 W72 -","4","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1326","0.0657","","","0.1563","0.1922","","","","","","1.026","","","","has coordinates,has disorder","281630","2023-03-05","07:50:42",""
"1568596","15.632","0.001","25.5634","0.0015","12.2766","0.0008","90","","90","","90","","4905.8","0.5","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H36 Br2 Mo5 N18 O2 Se5 -","- C27 H28 Br2 Mo5 N18 O2 Se5 -","- C108 H112 Br8 Mo20 N72 O8 Se20 -","4","0.5","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0462","0.0331","","","0.0814","0.0852","","","","","","1.064","","","","has coordinates,has disorder","281631","2023-03-05","14:52:02",""
"1568597","15.6443","0.0004","15.6443","0.0004","11.3058","0.0002","90","","90","","90","","2767.03","0.11","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C39 H48 Br Mo5 N26 Se5 -","- C39 H44 Br Mo5 N26 Se5 -","- C78 H88 Br2 Mo10 N52 Se10 -","2","0.25","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0233","0.0197","","","0.0493","0.0506","","","","","","1.053","","","","has coordinates","281632","2023-03-05","14:52:37",""
"1568598","13.3722","0.0015","13.3488","0.0018","21.585","0.003","92.345","0.006","90.153","0.008","120.34","0.03","3321.3","1.3","303","2","303","2","","","","","","","Buca della Vena mine, Italy","4","P 1","P 1","1","","","bohuslavite","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","1","1","","Mauro, Daniela; Biagioni, Cristian","New Crystal-Structure Data on Bohuslavite, Fe3+4(PO4)3(SO4)(OH)(H2O)10·nH2O","Minerals","2023","13","2","286","","10.3390/min13020286","","","0.71073","MoKα","","0.1968","0.1498","","","0.4013","0.4527","","","","","","1.089","","","","has coordinates","281633","2023-03-05","20:51:18",""
"1568599","20.845","0.0009","4.6353","0.0002","22.7163","0.0011","90","","107.329","0.005","90","","2095.29","0.17","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 N5 -","- C12 H9 N5 -","- C96 H72 N40 -","8","1","","Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A.","3-(5-Phenyl-2H-tetrazol-2-yl)pyridine","Molbank","2023","2023","1","M1598","","10.3390/M1598","","x-ray","1.54184","CuKα","","0.0433","0.0386","","","0.0966","0.0996","","","","","","1.064","","","","has coordinates","281634","2023-03-05","21:04:46",""
"1568600","10.5007","0.0005","10.5738","0.0006","11.029","0.0005","102.277","0.004","91.709","0.004","117.108","0.005","1053.76","0.11","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Mn N2 O4 S2 -","- C22 H16 Mn N2 O4 S2 -","- C44 H32 Mn2 N4 O8 S4 -","2","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.0884","0.0936","","","","","","1.046","","","","has coordinates","281637","2023-03-05","23:20:05",""
"1568601","10.88","0.005","25.477","0.001","12.919","0.004","90","","109.29","0.02","90","","3380","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H40 Mn3 N4 O12 S6 -","- C62 H40 Mn3 N4 O12 S6 -","- C124 H80 Mn6 N8 O24 S12 -","2","0.5","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","","0.745","synchrotron","","0.0606","0.0502","","","0.1459","0.153","","","","","","1.061","","","","has coordinates,has disorder","281638","2023-03-05","23:20:27",""
"1568602","16.206","0.003","11.501","0.004","22.561","0.003","90","","107.876","0.006","90","","4002","1.7","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34.5 H26.5 Mn2 N3.5 O9.5 S4 -","- C34.5 H26.5 Mn2 N3.5 O9.5 S4 -","- C138 H106 Mn8 N14 O38 S16 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","","0.79313","synchrotron","","0.0568","0.0516","","","0.1493","0.1533","","","","","","1.028","","","","has coordinates,has disorder","281639","2023-03-05","23:20:53",""
"1568603","14.9591","0.0005","17.085","0.0006","17.8936","0.0007","90","","104.678","0.004","90","","4423.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Mn2 N4 O10 S4 -","- C38 H34 Mn2 N4 O10 S4 -","- C152 H136 Mn8 N16 O40 S16 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0506","0.0409","","","0.1194","0.1245","","","","","","1.047","","","","has coordinates,has disorder","281640","2023-03-05","23:21:20",""
"1568604","16.4304","0.0005","25.1354","0.0009","18.4058","0.0005","90","","94.705","0.003","90","","7575.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H71 Mn3 N9 O17 S6 -","- C69 H71 Mn3 N9 O17 S6 -","- C276 H284 Mn12 N36 O68 S24 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0467","0.0323","","","0.0787","0.084","","","","","","1.046","","","","has coordinates,has disorder","281641","2023-03-05","23:21:45",""
"1568605","10.9298","0.0004","25.5452","0.0011","13.0284","0.0005","90","","111.044","0.004","90","","3395","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Mn3 N8 O16 S6 -","- C62 H56 Mn3 N8 O16 S6 -","- C124 H112 Mn6 N16 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0482","0.0395","","","0.1109","0.116","","","","","","1.041","","","","has coordinates,has disorder","281642","2023-03-05","23:22:19",""
"1568606","3.9619","0.0004","24.465","0.002","12.6409","0.0013","90","","96.409","0.009","90","","1217.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","","Ye, Dongnai; Liu, Lei; Zhang, Yujie; Qiu, Jiabin; Tan, Zhirong; Xing, Yuqin; Liu, Shiyong","Tunable Donor–Acceptor Linear Conjugated Polymers Involving Cyanostyrylthiophene Linkages for Visible-Light-Driven Hydrogen Production","Molecules","2023","28","5","2203","","10.3390/molecules28052203","","","0.71073","MoKα","","0.1821","0.1027","","","0.2535","0.2997","","","","","","1.067","","","","has coordinates","281643","2023-03-05","23:22:42",""
"1568607","8.78","0.0018","8.92","0.0018","11.62","0.002","84.56","0.03","81.25","0.03","76.39","0.03","872.6","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C20 H21 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","2","","Mathew, Shintu; Zhang, Kenneth; Zhou, Xian; Münch, Gerald; Bodkin, Francis; Li, Feng; Raju, Ritesh","Myrtinols A–F: New Anti-Inflammatory Peltogynoid Flavonoid Derivatives from the Leaves of Australian Indigenous Plant Backhousia myrtifolia","Molecules","2023","28","5","2160","","10.3390/molecules28052160","","","0.71073","MoKα","","0.0387","0.0383","","","0.1031","0.1045","","","","","","1.048","","","","has coordinates","281644","2023-03-05","23:23:11",""
"1568608","9.8772","0.0004","9.1364","0.0003","20.2948","0.0007","90","","103.341","0.0017","90","","1782.02","0.11","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Fe N8 O4 -","- C44 H32 Fe N8 O4 -","- C88 H64 Fe2 N16 O8 -","2","0.5","","Li, Qing; Xu, Bo-Wei; Zou, Yi-Ming; Niu, Ru-Jie; Chen, Jin-Xiang; Zhang, Wen-Hua; Young, David James.","Nanoscale Two-Dimensional FeII- and CoII-Based Metal–Organic Frameworks of Porphyrin Ligand for the Photodynamic Therapy of Breast Cancer","Molecules","2023","28","5","2125","","10.3390/molecules28052125","","","1.34138","GaKα","","0.0716","0.0533","","","0.1627","0.1834","","","","","","1.048","","","","has coordinates","281645","2023-03-05","23:23:35",""
"1568609","10.2162","0.0002","15.0449","0.0003","19.1173","0.0003","90","","90.438","0.001","90","","2938.28","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H49 B10 N O2 -","- C23 H49 B10 N O2 -","- C92 H196 B40 N4 O8 -","4","1","","Klyukin, Ilya N.; Kolbunova, Anastasia V.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Synthesis of Disubstituted Carboxonium Derivatives of <i>Closo</i>-Decaborate Anion [2,6-B<sub>10</sub>H<sub>8</sub>O<sub>2</sub>CC<sub>6</sub>H<sub>5</sub>]<sup>-</sup>: Theoretical and Experimental Study.","Molecules (Basel, Switzerland)","2023","28","4","1757","","10.3390/molecules28041757","","","1.54178","CuKα","","0.1295","0.0966","","","0.2187","0.2385","","","","","","1.086","","","","has coordinates","281646","2023-03-05","23:24:43",""
"1568610","33.7993","0.001","33.7993","0.001","7.9398","0.0005","90","","90","","90","","9070.4","0.7","298.15","","298.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C112 H70 N8 O59 Y8 -","- C112 H70 N8 O59 Y8 -","- C224 H140 N16 O118 Y16 -","2","0.25","","Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming","A 12-Connected [Y<sub>4</sub>((<i>μ</i><sub>3</sub>-OH)<sub>4</sub>]<sup>8+</sup> Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F<sup>-</sup> in H<sub>2</sub>O.","Molecules (Basel, Switzerland)","2023","28","4","1893","","10.3390/molecules28041893","","x-ray","0.71073","MoKα","","0.1419","0.1209","","","0.3069","0.3291","","","","","","1.053","","","","has coordinates,has disorder","281647","2023-03-05","23:25:10",""
"1568611","8.3118","0.0007","8.452","0.0005","12.0667","0.0008","80.772","0.005","79.03","0.006","72.149","0.006","787.41","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Br Cl F2 O3 -","- C18 H8 Br Cl F2 O3 -","- C36 H16 Br2 Cl2 F4 O6 -","2","1","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0519","0.0421","","","0.103","0.1114","","","","","","1.0351","","","","has coordinates","283169","2023-05-05","01:06:05",""
"1568612","10.6752","0.0002","11.971","0.0004","12.2865","0.0004","90","","90","","90","","1570.13","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9.714 H9.143 Br1.143 O1.143 -","- C9.71429 H9.14286 Br1.14286 O1.14286 -","- C68 H64 Br8 O8 -","7","1.75","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0674","0.0715","","","","","","1.0319","","","","has coordinates","283169","2023-05-05","01:06:06",""
"1568613","10.4129","0.0001","10.4129","0.0001","10.4129","0.0001","90","","90","","90","","1129.06","0.019","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl12 Cs4 Mo2 Na2 -","- Cl12 Cs4 Mo2 Na2 -","- Cl24 Cs8 Mo4 Na4 -","2","0.0104167","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0161","0.0136","","","0.0371","0.0382","","","","","","1.225","","","","has coordinates","283187","2023-05-05","01:12:30",""
"1568614","7.3359","0.0002","7.3359","0.0002","6.8017","0.0002","90","","90","","120","","316.997","0.015","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","1","0.0833333","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0369","0.0368","","","0.0964","0.0964","","","","","","1.373","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568615","7.636","0.002","7.671","0.002","9.789","0.003","80.191","0.012","88.082","0.012","89.402","0.012","564.7","0.3","460","2","460","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0643","0.0412","","","0.1038","0.1144","","","","","","1.067","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568616","7.6668","0.0015","7.7072","0.0014","9.449","0.0014","102.229","0.008","91.183","0.006","90.127","0.006","545.54","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0396","","","0.118","0.1188","","","","","","1.187","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568617","16.0647","0.0009","7.3477","0.0004","16.1264","0.0008","90","","103.599","0.002","90","","1850.17","0.17","300","2","300","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C4 H24 Cl7 Mo N4 -","- C4 H24 Cl7 Mo N4 -","- C16 H96 Cl28 Mo4 N16 -","4","1","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0251","","","0.0496","0.054","","","","","","1.037","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568618","11.6629","0.0009","10.2338","0.0005","20.6113","0.0012","90","","105.744","0.007","90","","2367.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","W(u-CF)(AuCl)(CO)2(Tp*)","","- C18 H22 Au B Cl F N6 O2 W -","- C18 H22 Au B Cl F N6 O2 W -","- C72 H88 Au4 B4 Cl4 F4 N24 O8 W4 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0497","0.0359","","","0.0671","0.0734","","","","","","1.015","","","","has coordinates","283172","2023-05-05","01:06:50",""
"1568619","7.9256","0.0003","13.8329","0.0007","19.194","0.0009","90","","96.493","0.004","90","","2090.82","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B F Mo N6 O2 -","- C18 H22 B F Mo N6 O2 -","- C72 H88 B4 F4 Mo4 N24 O8 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0715","0.0632","","","0.1457","0.1489","","","","","","1.19","","","","has coordinates","283172","2023-05-05","01:06:50",""
"1568620","10.2031","0.0002","11.8054","0.0003","16.122","0.0004","74.925","0.002","89.781","0.002","89.984","0.002","1875.08","0.08","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","1","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.124","0.1289","","","","","","1.043","","","","has coordinates","283183","2023-05-05","01:11:03",""
"1568621","9.6748","0.0003","10.1293","0.0004","17.5132","0.0006","97.089","0.003","94.219","0.003","117.91","0.003","1488.08","0.1","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 B Br2 Cl3 -","- C37 H22 B Br2 Cl3 -","- C74 H44 B2 Br4 Cl6 -","2","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0704","0.0621","","","0.1779","0.1916","","","","","","1.07","","","","has coordinates","283183","2023-05-05","01:11:03",""
"1568622","9.3498","0.0008","11.4321","0.001","15.5813","0.0014","69.242","0.002","84.549","0.002","77.162","0.002","1518.2","0.2","131","2","131","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0567","0.055","","","0.1395","0.141","","","","","","1.043","","","","has coordinates","282285","2023-04-04","09:55:42",""
"1568623","9.7065","0.001","10.4206","0.0011","16.6116","0.0017","73.769","0.004","73.502","0.004","79.487","0.004","1537.1","0.3","138","2","138","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.069","0.0637","","","0.1782","0.1815","","","","","","1.089","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42",""
"1568624","32.041","0.003","12.9784","0.0011","16.7286","0.0014","90","","117.642","0.002","90","","6162.5","0.9","135","2","135","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 B2 N6 -","- C66 H88 B2 N6 -","- C264 H352 B8 N24 -","4","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0674","0.0644","","","0.1693","0.1724","","","","","","1.063","","","","has coordinates","282285","2023-04-04","09:55:42",""
"1568625","24.71","0.0012","21.2756","0.001","24.7191","0.0012","90","","98.219","0.002","90","","12861.9","1.1","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Al2 B2 F72 N6 O8 -","- C108 H96 Al2 B2 F72 N6 O8 -","- C432 H384 Al8 B8 F288 N24 O32 -","4","1","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.1491","0.1444","","","0.3288","0.3316","","","","","","1.028","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42",""
"1568626","41.7016","0.0013","15.1215","0.0005","19.8592","0.0005","90","","90","","90","","12523","0.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H20 Co O5 P2 -","- C27 H20 Co O5 P2 -","- C432 H320 Co16 O80 P32 -","16","1","","Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias","An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors","Catalysis Science & Technology","2023","13","8","2475","2479","10.1039/D3CY00066D","","","1.54178","CuKα","","0.0551","0.0502","","","0.1279","0.1317","","","","","","1.018","","","","has coordinates,has disorder","283006","2023-05-04","23:54:29",""
"1568627","13.3238","0.0006","20.1104","0.0007","16.9292","0.0007","90","","96.463","0.004","90","","4507.3","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(±)-3a","[2.2]Triphenylenophane","","- C58 H46 N2 O6 S2 -","- C58 H46 N2 O6 S2 -","- C232 H184 N8 O24 S8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes <i>via</i> intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1235","0.0633","","","0.1511","0.181","","","","","","0.975","","","","has coordinates","283181","2023-05-05","01:10:30",""
"1568628","12.9227","0.0004","24.0368","0.0007","17.132","0.0005","90","","97.506","0.003","90","","5275.9","0.3","210","","210","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-3e","[2.2][5]Helicenophane","","- C70 H52 O2 -","- C70 H52 O2 -","- C280 H208 O8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes <i>via</i> intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1502","0.0765","","","0.1708","0.1958","","","","","","0.986","","","","has coordinates,has disorder","283181","2023-05-05","01:10:40",""
"1568629","8.9688","0.0003","15.8749","0.0006","16.3925","0.0005","90","","90","","90","","2333.94","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 Pd -","- C26 H32 N4 Pd -","- C104 H128 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0403","0.0396","","","0.0931","0.094","","","","","","1.379","","","","has coordinates","283174","2023-05-05","01:08:18",""
"1568630","17.1932","0.0005","11.4548","0.0003","8.6473","0.0003","90","","90","","90","","1703.04","0.09","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C30 H38 Cl2 N6 O8 Pd -","- C30 H38 Cl2 N6 O8 Pd -","- C60 H76 Cl4 N12 O16 Pd2 -","2","0.5","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0314","0.0267","","","0.061","0.0634","","","","","","1.049","","","","has coordinates","283174","2023-05-05","01:08:19",""
"1568631","14.0733","0.0011","18.7386","0.0015","15.869","0.0012","90","","109.564","0.005","90","","3943.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 Cl3 Li N4 O11 Pd -","- C34 H51 Cl3 Li N4 O11 Pd -","- C136 H204 Cl12 Li4 N16 O44 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.1178","0.0578","","","0.1236","0.1533","","","","","","1.011","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568632","11.34","0.001","12.2808","0.001","20.326","0.002","90","","90","","90","","2830.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N5 O4 Pd -","- C28 H35 Cl N5 O4 Pd -","- C112 H140 Cl4 N20 O16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.029","0.0249","","","0.0508","0.0524","","","","","","1.018","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568633","8.7777","0.0002","30.6361","0.0006","9.7205","0.0002","90","","113.69","","90","","2393.71","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 Pd -","- C26 H33 Cl N4 Pd -","- C104 H132 Cl4 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0185","0.0178","","","0.0431","0.0435","","","","","","1.1","","","","has coordinates","283174","2023-05-05","01:08:19",""
"1568634","13.3548","0.0001","14.7155","0.0001","11.9066","0.0001","90","","105.491","0.001","90","","2254.91","0.03","123.2","0.3","123.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Br2 Fe P5 -","- C16 H27 Br2 Fe P5 -","- C64 H108 Br8 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.39222","CuKβ","","0.0491","0.048","","","0.1321","0.1335","","","","","","1.053","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568635","9.1712","0.0001","14.2201","0.0001","14.903","0.0002","90","","90","","90","","1943.58","0.04","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Fe P5 -","- C15 H25 Fe P5 -","- C60 H100 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568636","9.4353","0.0002","13.7981","0.0003","15.3668","0.0004","69.087","0.002","77.735","0.002","89.91","0.002","1820.09","0.08","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 Fe P5 -","- C14 H23 Fe P5 -","- C56 H92 Fe4 P20 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0362","0.0355","","","0.0971","0.0978","","","","","","1.058","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568637","8.4755","0.0001","8.8421","0.0001","22.8473","0.0003","90","","90","","90","","1712.2","0.04","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0274","0.0272","","","0.0737","0.0739","","","","","","1.036","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568638","9.293","0.0003","14.8439","0.0005","14.4562","0.0005","90","","90","","90","","1994.15","0.12","122.99","0.1","122.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe P5 -","- C16 H27 Fe P5 -","- C64 H108 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0468","0.0462","","","0.1091","0.1093","","","","","","1.2","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568639","16.7779","0.0001","10.4268","0.0001","11.693","0.0001","90","","101.778","0.001","90","","2002.5","0.03","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 P S -","- C10 H13 P S -","- C80 H104 P8 S8 -","8","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0746","0.0751","","","","","","1.049","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568640","19.03","0.0005","6.1666","0.0002","10.2233","0.0002","90","","97.346","0.002","90","","1189.86","0.06","122.97","0.11","122.97","0.11","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H17 P S -","- C12 H17 P S -","- C48 H68 P4 S4 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0654","0.0599","","","0.1648","0.1704","","","","","","1.057","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568641","16.0552","0.0008","10.9392","0.0005","6.204","0.0003","90","","90","","90","","1089.61","0.09","122.98","0.1","122.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 P S -","- C11 H15 P S -","- C44 H60 P4 S4 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0539","0.0514","","","0.1439","0.1467","","","","","","1.108","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568642","12.9259","0.0001","9.9976","0.0001","19.7326","0.0001","90","","94.216","0.001","90","","2543.1","0.03","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 P S -","- C13 H19 P S -","- C104 H152 P8 S8 -","8","4","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1013","0.1018","","","","","","1.027","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568643","11.6774","0.0001","11.6774","0.0001","18.9131","0.0002","90","","90","","90","","2579.02","0.04","100.01","0.12","100.01","0.12","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C8 H18 Cl2 P2 Pt -","- C8 H18 Cl2 P2 Pt -","- C64 H144 Cl16 P16 Pt8 -","8","0.5","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","0.71073","MoKα","","0.02","0.0195","","","0.0495","0.0499","","","","","","1.081","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568644","9.724","0.0001","22.5867","0.0001","10.3002","0.0001","90","","106.207","0.001","90","","2172.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N2 P3 -","- C51 H57 N2 P3 -","- C102 H114 N4 P6 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","","","0.0354","0.0343","","","0.0878","0.0889","","","","","","1.047","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568645","11.5146","0.0002","13.8208","0.0002","16.3726","0.0003","76.35","0.001","86.705","0.001","79.973","0.001","2492.92","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C106 H118 I2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0254","0.0235","","","0.0606","0.0615","","","","","","1.089","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568646","10.7834","0.0002","14.9584","0.0003","19.8288","0.0003","96.372","0.002","103.56","0.001","100.505","0.002","3017.36","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H64 Br2 N2 O P3 Rh -","- C59 H64 Br2 N2 O P3 Rh -","- C118 H128 Br4 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0862","0.0776","","","0.2247","0.2356","","","","","","1.082","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568647","11.62871","0.00011","14.7063","0.00014","22.76166","0.00016","81.2531","0.0007","77.8491","0.0007","73.0988","0.0008","3623.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Li N2 O P2 -","- C43 H43 Li N2 O P2 -","- C172 H172 Li4 N8 O4 P8 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0475","0.0444","","","0.118","0.1206","","","","","","1.027","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568648","11.4287","0.0001","25.4664","0.0003","39.3056","0.0007","90","","110.858","0.002","90","","10690.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 I N2 O P3 Rh -","- C54 H61 I N2 O P3 Rh -","- C432 H488 I8 N16 O8 P24 Rh8 -","8","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0711","0.0546","","","0.1455","0.1559","","","","","","1.065","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568649","11.6926","0.0001","14.4062","0.0002","16.2053","0.0002","105.002","0.001","95.705","0.001","98.036","0.001","2584.42","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cl N2 O P3 Rh -","- C55 H65 Cl N2 O P3 Rh -","- C110 H130 Cl2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0421","0.0319","","","0.0798","0.0844","","","","","","1.035","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568650","12.2238","0.0002","33.5168","0.0004","12.3138","0.0001","90","","105.065","0.001","90","","4871.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H65 N2 P4 Rh -","- C54 H65 N2 P4 Rh -","- C216 H260 N8 P16 Rh4 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0358","0.032","","","0.0762","0.0778","","","","","","1.063","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568651","13.4359","0.0002","14.5922","0.0002","28.2841","0.0004","83.805","0.001","82.158","0.001","65.89","0.002","5005.91","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H120 N4 O3 P6 Rh2 -","- C108 H120 N4 O3 P6 Rh2 -","- C216 H240 N8 O6 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0468","0.0443","","","0.1194","0.1216","","","","","","1.023","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568652","43.4288","0.0005","43.4288","0.0005","13.10301","0.00016","90","","90","","120","","21402.1","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C954 H1062 I18 N36 O18 P54 Rh18 -","18","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0573","0.0506","","","0.1252","0.1292","","","","","","1.11","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568653","17.9895","0.0001","19.0756","0.0001","19.2191","0.0001","89.783","0.001","67.234","0.001","62.295","0.001","5257.42","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C215 H236 I4 N8 O4 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0381","0.0367","","","0.0889","0.0899","","","","","","1.037","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568654","6.173","0.004","7.53","0.004","17.45","0.01","99.942","0.015","93.614","0.016","95.649","0.016","792.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F6 N O S -","- C15 H11 F6 N O S -","- C30 H22 F12 N2 O2 S2 -","2","1","","Yang, Yi; Saffon-Merceron, Nathalie; Vantourout, Julien C.; Tlili, Anis","Novel N(SCF<sub>3</sub>)(CF<sub>3</sub>)-amines: synthesis, scalability and stability.","Chemical science","2023","14","14","3893","3898","10.1039/d2sc06542h","","","0.71073","MoKα","","0.1681","0.0713","","","0.1597","0.2145","","","","","","1.012","","","","has coordinates,has disorder","283171","2023-05-05","01:06:30",""
"1568655","4.0571","0.0002","32.9255","0.0013","42.2251","0.0016","110.788","0.002","91.124","0.002","91.507","0.002","5269","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","compound 12O-AzNO2-PhO12","","- C40 H59 N O4 -","- C40 H59 N O4 -","- C240 H354 N6 O24 -","6","3","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1483","0.0883","","","0.1921","0.2094","","","","","","1.033","","","","has coordinates","283513","2023-05-05","03:38:05",""
"1568656","63.421","0.005","5.4344","0.0004","22.0542","0.0015","90","","107.341","0.004","90","","7255.6","0.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","compound 12O-AzCN-PhS12","","- C41 H59 N O S -","- C41 H59 N O S -","- C328 H472 N8 O8 S8 -","8","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","1.54178","CuKα","","0.0594","0.0465","","","0.1177","0.1234","","","","","","1.035","","","","has coordinates","283513","2023-05-05","03:38:07",""
"1568657","36.366","0.002","14.446","0.0008","6.8454","0.0004","90","","90.421","0.004","90","","3596.1","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 12S-AzCN-PhO12","","- C41 H59 N O S -","- C41 H59 N O S -","- C164 H236 N4 O4 S4 -","4","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1143","0.0609","","","0.1203","0.1338","","","","","","1.028","","","","has coordinates","283513","2023-05-05","03:38:07",""
"1568658","11.338","0.0006","10.7346","0.0005","14.5503","0.001","90","","109.43","0.005","90","","1670.05","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Meloxicam hydrochloride or 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazolium-2-yl)-2<i>H</i>-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride","2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride","","- C14 H14 Cl N3 O4 S2 -","- C14 H14 Cl N3 O4 S2 -","- C56 H56 Cl4 N12 O16 S8 -","4","1","BX4023","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","Meloxicam hydrochloride","IUCrData","2023","8","3","x230202","","10.1107/S241431462300202X","","x-ray","0.56083","AgKα","","0.0721","0.0324","","","0.0652","0.0736","","","","","","0.832","","","","has coordinates","281868","2023-03-14","03:25:59",""
"1568659","8.4129","0.0001","22.9217","0.0004","8.6719","0.0001","90","","117.417","0.001","90","","1484.44","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","VM4058","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","IUCrData","2023","8","3","x230208","","10.1107/S2414314623002080","","","1.54178","CuKα","","0.0322","0.0299","","","0.0783","0.0801","","","","","","1.042","","","","has coordinates","281869","2023-03-14","03:26:28",""
"1568660","8.9864","0.0004","15.1402","0.0011","24.1044","0.0011","90","","95.057","0.004","90","","3266.8","0.3","109","3","109","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0648","0.0465","","","0.092","0.1014","","","","","","1.042","","","","has coordinates","283164","2023-05-05","01:04:36",""
"1568661","14.8247","0.0004","11.5912","0.0003","15.542","0.0004","90","","97.987","0.003","90","","2644.77","0.12","112.15","0.1","112.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C144 H120 N8 O8 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0643","0.0446","","","0.098","0.1104","","","","","","1.032","","","","has coordinates","283164","2023-05-05","01:04:37",""
"1568662","11.5164","0.0005","17.905","0.0005","31.034","0.001","77.629","0.002","80.917","0.003","84.108","0.003","6156.5","0.4","169.99","0.11","169.99","0.11","","","","","","","","3","P -1","-P 1","2","","DYX-7","","- C147 H123 Cl9 -","- C147 H123 Cl9 -","- C294 H246 Cl18 -","2","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.2019","0.1631","","","0.4168","0.444","","","","","","1.536","","","","has coordinates,has disorder","287329","2023-11-06","07:08:39",""
"1568663","11.53234","0.00011","17.8477","0.00019","30.031","0.0003","90","","91.5252","0.0009","90","","6178.96","0.11","170","0.1","170","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C84.7 H68.52 -","- C84.698 H68.512 -","- C338.792 H274.048 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","","1.54184","CuKα","","0.0647","0.0601","","","0.1527","0.159","","","","","","1.069","","","","has coordinates,has disorder","287329","2023-11-06","07:08:44",""
"1568664","31.90908","0.00014","31.90908","0.00014","37.2706","0.00018","90","","90","","120","","32864.4","0.3","169.99","0.12","169.99","0.12","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H57 Cl5 -","- C73 H57 Cl5 -","- C1314 H1026 Cl90 -","18","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0671","0.0643","","","0.1845","0.1871","","","","","","1.049","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568665","12.6634","0.0006","19.4621","0.0006","22.141","0.0006","101.227","0.002","95.079","0.003","100.078","0.003","5227.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C72 H56 -","- C72 H56 -","- C288 H224 -","4","2","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.1265","0.0953","","","0.2567","0.2838","","","","","","1.043","","","","has coordinates,has disorder","287329","2023-11-06","07:08:45",""
"1568666","19.4705","0.0002","18.0286","0.0001","26.3919","0.0003","90","","100.346","0.001","90","","9113.61","0.15","172.99","0.1","172.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C132 H54 -","- C132 H54 -","- C528 H216 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0914","0.0769","","","0.2206","0.2338","","","","","","1.078","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568667","9.6072","0.0004","10.0198","0.0004","10.2726","0.0004","81.79","0.003","67.85","0.004","63.025","0.004","815.76","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","1","0.5","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.0514","0.034","","","0.0494","0.0538","","","","","","1.0975","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568668","7.3365","0.0002","12.5616","0.0004","15.3464","0.0004","107.814","0.003","93.035","0.002","97.768","0.002","1327.45","0.07","120.01","0.1","120","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 B2 Br4 Cl2 N O -","- C23 H23 B2 Br4 Cl2 N O -","- C46 H46 B4 Br8 Cl4 N2 O2 -","2","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0444","0.0286","","","0.0551","0.0593","","","","","","1.048","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42",""
"1568669","15.7521","0.0004","6.9607","0.0001","12.136","0.0002","90","","90.573","0.002","90","","1330.59","0.04","120.01","0.11","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B Br2 N -","- C12 H18 B Br2 N -","- C48 H72 B4 Br8 N4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0344","0.0236","","","0.0486","0.0512","","","","","","1.048","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568670","17.5337","0.0011","9.019","0.0003","18.6811","0.0008","90","","117.156","0.006","90","","2628.5","0.3","120.01","0.13","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H24 B2 Br4 Cl N O -","- C24.5 H24 B2 Br4 Cl N O -","- C98 H96 B8 Br16 Cl4 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0913","0.0497","","","0.0987","0.1156","","","","","","1.012","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42",""
"1568671","11.9253","0.0005","13.1059","0.0008","16.0617","0.0006","86.088","0.004","72.721","0.003","77.089","0.004","2336.4","0.2","120.1","0.5","120.1","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B Cl3 N O -","- C25 H27 B Cl3 N O -","- C100 H108 B4 Cl12 N4 O4 -","4","2","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.08","0.0479","","","0.0953","0.1004","","","","","","0.961","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568672","9.8358","0.0001","11.6082","0.0001","22.5888","0.0002","90","","90","","90","","2579.1","0.04","119.99","0.17","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 B2 Br2 N O -","- C30 H31 B2 Br2 N O -","- C120 H124 B8 Br8 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0312","0.0257","","","0.0559","0.0578","","","","","","1.051","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568673","7.75558","0.0001","9.02843","0.0001","15.5656","0.0002","90","","90","","90","","1089.91","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol","","- C12 H13 F3 O2 -","- C12 H13 F3 O2 -","- C48 H52 F12 O8 -","4","1","TK4089","Radan, Kristian; Cotman, Andrej Emanuel; Lozinšek, Matic","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","IUCrData","2023","8","3","x230217","","10.1107/S2414314623002171","","x-ray","1.54184","CuKα","","0.0291","0.0288","","","0.0725","0.0727","","","","","","1.064","","","","has coordinates","281914","2023-03-16","03:37:12",""
"1568674","8.4703","0.0002","13.2994","0.0003","24.425","0.0007","90","","90","","90","","2751.47","0.12","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N4 Si -","- C29 H38 N4 Si -","- C116 H152 N16 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.0566","0.0476","","","0.1161","0.1237","","","","","","1.048","","","","has coordinates","283186","2023-05-05","01:12:09",""
"1568675","10.8497","0.0008","15.4899","0.0012","20.3611","0.0014","90","","97.135","0.002","90","","3395.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl3 N3 O Si -","- C30 H44 Cl3 N3 O Si -","- C120 H176 Cl12 N12 O4 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.1143","0.0718","","","0.1771","0.2144","","","","","","1.034","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568676","22.2241","0.0009","9.0072","0.0003","30.4536","0.0011","90","","90","","90","","6096.1","0.4","272","2","272","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl6 N2 Si -","- C25 H36 Cl6 N2 Si -","- C200 H288 Cl48 N16 Si8 -","8","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","1.54178","CuKα","","0.0912","0.0568","","","0.1454","0.1648","","","","","","1.05","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568680","18.1535","0.0009","11.2621","0.0005","20.3773","0.001","90","","90","","90","","4166.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Yang, Qingjing; Zhou, Jian; Wang, Jun Joelle","Enantioselective copper-catalyzed hydrophosphination of alkenyl isoquinolines.","Chemical science","2023","14","16","4413","4417","10.1039/d2sc06950d","","x-ray","0.71073","MoKα","","0.064","0.0414","","","0.0988","0.1101","","","","","","1.025","","","","has coordinates","283167","2023-05-05","01:05:37",""
"1568681","22.579","0.008","22.754","0.008","24.113","0.008","108.799","0.005","106.39","0.005","104.441","0.005","10431","6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C326 H425 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","1","0.5","","Hu, Xiangquan; Han, Meirong; Wang, Leicheng; Shao, Li; Peeyush, Yadav; Du, Jialei; Kelley, Steven P.; Dalgarno, Scott J.; Atwood, David A.; Feng, Sisi; Atwood, Jerry L.","A copper-seamed coordination nanocapsule as a semiconductor photocatalyst for molecular oxygen activation.","Chemical science","2023","14","17","4532","4537","10.1039/d3sc00318c","","","0.71073","MoKα","","0.2263","0.1196","","","0.3193","0.3859","","","","","","1.132","","","","has coordinates,has disorder","284206","2023-06-05","03:53:10",""
"1568682","18.0163","0.0003","17.0386","0.0003","22.7773","0.0004","90","","106.062","0.002","90","","6719.1","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O Y -","- C76 H108 N2 O Y -","- C304 H432 N8 O4 Y4 -","4","0.5","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54184","CuKα","","0.0446","0.0417","","","0.113","0.115","","","","","","1.033","","","","has coordinates,has disorder","283168","2023-05-05","01:05:54",""
"1568683","13.82162","0.00015","28.6809","0.0003","17.115","0.0002","90","","106.366","0.0013","90","","6509.78","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H100 N3 Y -","- C73 H100 N3 Y -","- C292 H400 N12 Y4 -","4","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","","1.54184","CuKα","","0.0508","0.0411","","","0.091","0.0951","","","","","","1.035","","","","has coordinates","283168","2023-05-05","01:05:55",""
"1568684","39.603","0.0005","16.4949","0.0002","25.0473","0.0003","90","","91.017","0.001","90","","16359.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H125 Cl N2 Y -","- C84 H125 Cl N2 Y -","- C672 H1000 Cl8 N16 Y8 -","8","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54178","CuKα","","0.0765","0.0598","","","0.1564","0.1727","","","","","","1.032","","","","has coordinates,has disorder","283168","2023-05-05","01:05:55",""
"1568685","5.17882","0.00011","9.5846","0.0002","23.5161","0.0006","90","","90","","90","","1167.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2S-azido 3S-Boc-amino butyrolactone","tert-butyl (4-azido-5-oxotetrahydrofuran-3-yl)carbamate","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C36 H56 N16 O16 -","4","1","","Lichstrahl, Michael S.; Kahlert, Lukas; Li, Rongfeng; Zandi, Trevor A.; Yang, Jerry; Townsend, Craig A.","Synthesis of functionalized 2,3-diaminopropionates and their potential for directed monobactam biosynthesis.","Chemical science","2023","14","14","3923","3931","10.1039/d2sc06893a","","","1.54178","CuKα","","0.0296","0.0288","","","0.077","0.0782","","","","","","1.041","","","","has coordinates,has disorder","283176","2023-05-05","01:08:46",""
"1568686","12.7225","0.0008","15.8452","0.001","18.7186","0.0013","104.805","0.006","97.924","0.005","96.664","0.005","3568","0.4","100.03","0.16","100.03","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C76.46 H92.69 Cl N7.23 O11 -","- C76.458 H92.687 Cl N7.229 O11 -","- C152.916 H185.374 Cl2 N14.458 O22 -","2","1","","Wang, Hu; Jones, Leighton O.; Zhao, Tian; Hwang, Inhong; Lynch, Vincent M.; Khashab, Niveen M.; Schatz, George C.; Page, Zachariah A.; Sessler, Jonathan L.","Fluorescent copolymer aggregate sensor for lithium chloride.","Chemical science","2023","14","15","4120","4125","10.1039/d2sc05342j","","x-ray","1.54184","CuKα","","0.0846","0.0589","","","0.1769","0.1919","","","","","","1.042","","","","has coordinates,has disorder","283185","2023-05-05","01:11:50",""
"1568687","14.2116","0.0014","19.3311","0.0019","9.9202","0.0009","90","","90","","90","","2725.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27.5 H35 N O2 Si -","- C27.5 H35 N O2 Si -","- C110 H140 N4 O8 Si4 -","4","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0722","0.0542","","","0.1481","0.1602","","","","","","1.025","","","","has coordinates","283182","2023-05-05","01:10:54",""
"1568688","9.521","0.003","12.367","0.003","11.509","0.003","90","","112.719","0.006","90","","1250","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O2 Si -","- C30 H29 N O2 Si -","- C60 H58 N2 O4 Si2 -","2","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.082","0.0598","","","0.1253","0.1305","","","","","","0.908","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568689","9.572","0.003","12.507","0.005","17.419","0.006","108.613","0.001","90.26","0.007","92.416","0.001","1974.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 F N O2 Si -","- C21 H26 F N O2 Si -","- C84 H104 F4 N4 O8 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.1466","0.0828","","","0.2023","0.2222","","","","","","1.045","","","","has coordinates,has disorder","283182","2023-05-05","01:10:55",""
"1568690","9.145","0.002","19.109","0.005","15.052","0.004","90","","98.006","0.006","90","","2604.7","1.1","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H28 F3 N O4 S Si -","- C26 H28 F3 N O4 S Si -","- C104 H112 F12 N4 O16 S4 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0645","0.0493","","","0.1167","0.1225","","","","","","0.989","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568691","12.8073","0.0011","12.8073","0.0011","11.5663","0.0014","90","","90","","120","","1643","0.3","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0425","0.0356","","","0.0827","0.0889","","","","","","1.14","","","","has coordinates,has disorder","283166","2023-05-05","01:05:22",""
"1568692","12.7237","0.0004","12.7237","0.0004","11.3427","0.0005","90","","90","","120","","1590.28","0.1","100.15","","100.15","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6TbCl3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0317","0.0311","","","0.0776","0.0782","","","","","","1.042","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568693","12.7944","0.0003","21.4986","0.0005","12.9783","0.0003","90","","114.454","0.001","90","","3249.6","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C120 H120 Cl24 Gd4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0234","0.0232","","","0.0584","0.0586","","","","","","1.117","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568694","12.8107","0.0018","12.8107","0.0018","11.571","0.002","90","","90","","120","","1644.6","0.4","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6Ti3Tb","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0413","0.0338","","","0.083","0.09","","","","","","1.103","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568695","12.7286","0.0004","12.7286","0.0004","11.3424","0.0005","90","","90","","120","","1591.46","0.1","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.0735","0.0742","","","","","","1.037","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568696","12.7966","0.0008","21.465","0.0013","12.975","0.0007","90","","114.419","0.002","90","","3245.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6TbTi3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C120 H120 Cl24 Tb4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0384","0.036","","","0.0929","0.095","","","","","","1.052","","","","has coordinates","283166","2023-05-05","01:05:23",""
"1568697","8.2666","0.0003","5.6858","0.0002","15.5021","0.0007","90","","91.087","0.004","90","","728.5","0.05","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","APHTZ","5-(4-aminophenyl)-1H-tetrazole","","- C7 H7 N5 -","- C7 H7 N5 -","- C28 H28 N20 -","4","2","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0434","0.0328","","","0.0807","0.0851","","","","","","1.038","","","","has coordinates","284983","2023-07-05","11:06:13",""
"1568698","8.0914","0.0018","5.9622","0.0013","14.789","0.004","90","","92.037","0.005","90","","713","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FPHTZ","5-(4-fluorophenyl)-1H-tetrazole","","- C7 H5 F N4 -","- C7 H5 F N4 -","- C28 H20 F4 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0411","0.0376","","","0.1043","0.1082","","","","","","1.069","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568699","9.457","0.003","11.427","0.003","7.298","0.002","90","","107.987","0.006","90","","750.1","0.4","295","","295","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","CPHTZ","5-(4-chlorophenyl)-1H-tetrazole","","- C7 H5 Cl N4 -","- C7 H5 Cl N4 -","- C28 H20 Cl4 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0447","0.0399","","","0.1119","0.1168","","","","","","1.074","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568700","9.7712","0.0005","9.0593","0.0004","17.7198","0.001","90","","90","","90","","1568.56","0.14","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","MPHTZ","5-p-tolyl-1H-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C64 H64 N32 -","8","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71073","MoKα","","0.0524","0.0411","","","0.1334","0.1413","","","","","","1.092","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568701","4.0674","0.0003","16.0311","0.0008","10.1239","0.0005","90","","90","","90","","660.13","0.07","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","DM-BIM","2-Bromo-4,5-dimethyl-1H-imidazole","","- C5 H7 Br N2 -","- C5 H7 Br N2 -","- C20 H28 Br4 N8 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0382","0.0272","","","0.0716","0.0753","","","","","","1.073","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568702","10.3316","0.0019","9.7732","0.0016","9.7411","0.0018","90","","116.898","0.003","90","","877.2","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TFPHTZ","5-(4-trifluoromethylphenyl)-1H-tetrazole","","- C8 H5 F3 N4 -","- C8 H5 F3 N4 -","- C32 H20 F12 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0487","0.0452","","","0.1277","0.132","","","","","","1.062","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568703","9.8121","0.0007","15.2562","0.0014","4.5459","0.0004","90","","90","","90","","680.5","0.1","296","","296","","","","","","","","","3","A m a 2","A 2 -2a","40","PHTZ","5-phenyl-1H-tetrazole","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0354","0.0297","","","0.0709","0.0732","","","","","","1.049","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568704","9.4276","0.0015","15.165","0.002","14.397","0.002","90","","98.778","0.008","90","","2034.2","0.5","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Cai, Linxiang; Wang, Ying; Chen, Yayu; Chen, Hanhua; Yang, Tao; Zhang, Shuren; Guo, Zijian; Wang, Xiaoyong","Manganese(ii) complexes stimulate antitumor immunity <i>via</i> aggravating DNA damage and activating the cGAS-STING pathway.","Chemical science","2023","14","16","4375","4389","10.1039/d2sc06036a","","","1.34139","GaKα","","0.0932","0.0662","","","0.1771","0.2172","","","","","","1.037","","","","has coordinates","283165","2023-05-05","01:04:50",""
"1568705","19.3515","0.0014","10.4522","0.0008","11.307","0.0009","90","","90","","90","","2287","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H18 Cl4 N4 Ni O2 -","- C21 H18 Cl4 N4 Ni O2 -","- C84 H72 Cl16 N16 Ni4 O8 -","4","1","","Bansal, Sadhna; Gonnade, Rajesh G.; Punji, Benudhar","Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst","Catalysis Science & Technology","2023","13","9","2705","2713","10.1039/D3CY00090G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0575","0.061","","","","","","1.071","","","","has coordinates","284161","2023-06-05","03:21:05",""
"1568706","10.1118","0.0012","10.1118","0.0012","18.832","0.003","90","","90","","120","","1667.6","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1232","0.0609","","","0.0892","0.1075","","","","","","1.009","","","","has coordinates","283184","2023-05-05","01:11:20",""
"1568707","18.2429","0.0014","18.2429","0.0014","7.8233","0.0007","90","","90","","120","","2254.8","0.3","250","2","250","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0933","0.0504","","","0.1213","0.1384","","","","","","1.04","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568708","7.9614","0.0008","12.0601","0.0012","13.2291","0.0013","90.645","0.004","93.67","0.003","90.906","0.004","1267.3","0.2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C52 H56 Fe2 N4 O12 -","2","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.7288","synchrotron","","0.0403","0.0326","","","0.0871","0.0914","","","","","","1.057","","","","has coordinates","283184","2023-05-05","01:11:30",""
"1568709","18.092","0.001","18.092","0.001","7.801","0.0004","90","","90","","120","","2211.3","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0765","0.0525","","","0.1132","0.1232","","","","","","1.037","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568710","10.248","0.002","10.248","0.002","19.033","0.004","90","","90","","120","","1731.1","0.6","250","2","250","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1867","0.0707","","","0.1051","0.1394","","","","","","1.012","","","","has coordinates","283184","2023-05-05","01:11:30",""
"1568711","12.4528","0.0003","9.0066","0.0003","20.1003","0.0006","90","","90.462","0.002","90","","2254.32","0.11","90","0.3","90","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B N2 -","- C27 H31 B N2 -","- C108 H124 B4 N8 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0567","0.0445","","","0.1127","0.1194","","","","","","1.097","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568712","12.1599","0.0003","8.1094","0.0003","23.5966","0.0007","90","","101.497","0.003","90","","2280.16","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0592","0.0469","","","0.1203","0.1274","","","","","","1.072","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568713","8.1627","0.0002","22.1971","0.0006","12.637","0.0004","90","","90.613","0.002","90","","2289.55","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0564","0.0443","","","0.1143","0.1213","","","","","","1.066","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568714","9.551","0.0002","11.2401","0.0004","13.605","0.0003","75.998","0.002","84.321","0.002","80.055","0.002","1393.36","0.07","100","0.6","100","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 B N -","- C37 H36 B N -","- C74 H72 B2 N2 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0578","0.0462","","","0.1184","0.1247","","","","","","1.101","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568715","8.5734","0.0003","14.764","0.0005","15.258","0.0006","68.839","0.004","87.111","0.003","78.724","0.003","1765.9","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H41 B Cl3 D N2 -","- C40 H41 B Cl3 D N2 -","- C80 H82 B2 Cl6 D2 N4 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","","0.71073","MoKα","","0.1305","0.1117","","","0.3332","0.3422","","","","","","1.077","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568716","11.6462","0.0005","8.726","0.0004","16.7421","0.0008","90","","108.62","0.002","90","","1612.35","0.13","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 P2 Si -","- C40 H34 P2 Si -","- C80 H68 P4 Si2 -","2","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0355","0.0316","","","0.0751","0.0778","","","","","","1.035","","","","has coordinates","284209","2023-06-05","03:54:36",""
"1568717","9.9943","0.0014","20.42","0.003","20.447","0.003","90","","90","","90","","4172.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 Cl6 P2 Pd Si -","- C42 H38 Cl6 P2 Pd Si -","- C168 H152 Cl24 P8 Pd4 Si4 -","4","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0251","0.0238","","","0.0522","0.0528","","","","","","1.054","","","","has coordinates","284209","2023-06-05","03:54:38",""
"1568718","13.7107","0.0002","16.2983","0.0003","21.2715","0.0003","94.494","0.001","95.456","0.001","112.361","0.002","4342.02","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C104 H84 O8 -","- C104 H84 O8 -","- C208 H168 O16 -","2","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1037","0.0913","","","0.22","0.2275","","","","","","1.104","","","","has coordinates","283163","2023-05-05","01:04:25",""
"1568719","15.8108","0.001","27.4612","0.0019","18.3586","0.0011","90","","104.885","0.007","90","","7703.5","0.9","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C99 H60 -","- C96 H60 -","- C384 H240 -","4","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1494","0.0874","","","0.2233","0.2625","","","","","","0.925","","","","has coordinates","283163","2023-05-05","01:04:26",""
"1568720","6.94728","0.00004","13.79687","0.00007","22.55057","0.00013","90","","90","","90","","2161.49","0.02","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zhu, Bing-Ke; Xu, Hui; Xiao, Lu; Chang, Xin; Wei, Liang; Teng, Huailong; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Enantio- and diastereodivergent synthesis of fused indolizines enabled by synergistic Cu/Ir catalysis.","Chemical science","2023","14","15","4134","4142","10.1039/d3sc00118k","","x-ray","1.54184","CuKα","","0.0268","0.0263","","","0.0668","0.0673","","","","","","1.03","","","","has coordinates","283180","2023-05-05","01:10:17",""
"1568721","14.2806","0.0003","18.2744","0.0006","22.8464","0.0006","80.353","0.003","75.399","0.002","80.671","0.002","5643","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C109.83 H87.66 Au6 Cl3.66 F12 P8 Sb2 -","- C109.831 H87.662 Au6 Cl3.662 F12 P8 Sb2 -","- C219.662 H175.324 Au12 Cl7.324 F24 P16 Sb4 -","2","1","","Singh, Kundan K.; Bhattacharyya, Ayan; Havenridge, Shana; Ghabin, Mohamed; Ausmann, Hagan; Siegler, Maxime A.; Aikens, Christine M.; Das, Anindita","A first glance into mixed phosphine-stibine moieties as protecting ligands for gold clusters.","Nanoscale","2023","15","15","6934","6940","10.1039/d2nr05497c","","","0.71073","MoKα","","0.0536","0.0379","","","0.0912","0.1","","","","","","1.021","","","","has coordinates,has disorder","283371","2023-05-05","02:50:49",""
"1568722","14.62","0.003","14.79","0.003","18.86","0.004","70.46","0.03","74.2","0.03","71.85","0.03","3587.1","1.5","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H45 F28 N13 O4 -","- C70 H45 F28 N13 O4 -","- C140 H90 F56 N26 O8 -","2","1","","Taylor, Chloe M.; Breadmore, Michael; Kilah, Nathan Laird","Colorimetric Determination of Perfluorocarboxylic Acids using Porphyrin Hosts and Mobile Phone Photographs","Sensors & Diagnostics","2023","","","","","10.1039/D3SD00035D","","x-ray","0.71073","Synchrotron","","0.0587","0.0467","","","0.1274","0.1379","","","","","","1.083","","","","has coordinates,has disorder","282108","2023-03-29","01:46:22",""
"1568723","6.4445","0.0015","11.458","0.003","13.656","0.003","80.205","0.007","85.649","0.007","82.844","0.007","984.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C36 H54 B2 N4 O8 S2 -","2","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.1182","0.0892","","","0.2382","0.2708","","","","","","1.022","","","","has coordinates,has disorder","284163","2023-06-05","03:21:40",""
"1568724","12.029","0.003","14.49","0.004","11.877","0.003","90","","95.143","0.007","90","","2061.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C72 H108 B4 N8 O16 S4 -","4","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.117","0.0875","","","0.2466","0.2773","","","","","","1.041","","","","has coordinates,has disorder","284163","2023-06-05","03:21:41",""
"1568725","20.718","0.002","9.01","0.0011","21.438","0.002","90","","92.285","0.003","90","","3998.6","0.7","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H80 Br4 N4 Ni2 -","- C86 H80 Br4 N4 Ni2 -","- C172 H160 Br8 N8 Ni4 -","2","0.5","","Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu","Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization","Polymer Chemistry","2023","14","17","2107","2116","10.1039/D3PY00146F","","","0.71073","MoKα","","0.2689","0.1063","","","0.2299","0.283","","","","","","0.851","","","","has coordinates,has disorder","283511","2023-05-05","03:36:41",""
"1568726","11.2154","0.0016","11.8439","0.0018","14.4771","0.0019","73.502","0.011","80.941","0.011","78.858","0.012","1798.3","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H41 Cl N2 Pd -","- C43 H41 Cl N2 Pd -","- C86 H82 Cl2 N4 Pd2 -","2","1","","Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu","Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization","Polymer Chemistry","2023","14","17","2107","2116","10.1039/D3PY00146F","","x-ray","1.54186","CuKα","","0.0937","0.0765","","","0.2127","0.2369","","","","","","1.116","","","","has coordinates","283511","2023-05-05","03:37:05",""
"1568727","9.5248","0.0004","27.3332","0.0015","17.6167","0.0012","90","","91.785","0.005","90","","4584.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H69 B2 K O2 -","- C50 H69 B2 K O2 -","- C200 H276 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1024","0.0611","","","0.1471","0.1685","","","","","","1.013","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568728","9.8879","0.0012","14.446","0.002","16.292","0.003","115.332","0.015","91.157","0.011","102.693","0.011","2034.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 B Cl Si -","- C46.003 H58.009 B Cl Si -","- C92.006 H116.018 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1227","0.0705","","","0.1721","0.2006","","","","","","1.034","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568729","14.9715","0.0005","21.0575","0.0004","17.4635","0.0005","90","","114.563","0.004","90","","5007.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B2 K O2 -","- C54 H77 B2 K O2 -","- C216 H308 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0668","0.0554","","","0.1404","0.1481","","","","","","1.05","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568730","17.759","0.0009","21.4676","0.0011","28.6119","0.0016","90","","104.031","0.006","90","","10582.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H160 B4 K2 O7 -","- C110 H160 B4 K2 O7 -","- C440 H640 B16 K8 O28 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1141","0.0815","","","0.2193","0.248","","","","","","1.02","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568731","11.9232","0.0008","19.4217","0.0013","25.512","0.002","90","","91.836","0.008","90","","5904.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H93 B2 Li O4 -","- C62 H93 B2 Li O4 -","- C248 H372 B8 Li4 O16 -","4","2","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1579","0.0616","","","0.1093","0.1214","","","","","","0.749","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568732","11.9435","0.0008","24.517","0.002","15.0825","0.0012","90","","103.854","0.008","90","","4288","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 B Cl Si -","- C46 H60 B Cl Si -","- C184 H240 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1199","0.0582","","","0.1051","0.1271","","","","","","0.956","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568733","14.8477","0.0007","14.9915","0.0007","22.6511","0.0012","90","","100.094","0.004","90","","4963.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B Cl O2.5 Si -","- C52 H75 B Cl O2.5 Si -","- C208 H300 B4 Cl4 O10 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0935","0.071","","","0.1709","0.1906","","","","","","1.163","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568734","14.9707","0.0012","21.1115","0.0013","17.2101","0.0016","90","","113.427","0.01","90","","4990.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B2 K O2 -","- C54 H75 B2 K O2 -","- C216 H300 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0893","0.0548","","","0.1293","0.147","","","","","","0.985","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568735","9.8384","0.0007","14.6699","0.0011","17.434","0.0013","92.485","0.006","98.376","0.006","102.215","0.006","2425.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H69 B Cl Si -","- C55 H69 B Cl Si -","- C110 H138 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1526","0.0749","","","0.1536","0.189","","","","","","1.014","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568736","9.6488","0.0004","12.5511","0.0005","27.859","0.001","90","","96.072","0.004","90","","3354.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B Cl Si -","- C38 H44 B Cl Si -","- C152 H176 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0798","0.048","","","0.1078","0.1222","","","","","","1.012","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568737","17.8","0.0007","14.6788","0.0005","19.2967","0.0007","90","","96.263","0.003","90","","5011.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B O3 Si -","- C54 H77 B O3 Si -","- C216 H308 B4 O12 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1217","0.0647","","","0.1659","0.1806","","","","","","0.863","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568738","20.34","0.005","11.791","0.003","22.744","0.006","90","","90","","90","","5455","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H39 B Si2 -","- C27 H39 B Si2 -","- C216 H312 B8 Si16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.1064","0.114","","","","","","1.073","","","","has coordinates","284214","2023-06-05","03:57:31",""
"1568739","11.975","0.002","14.7","0.003","14.916","0.003","90.82","0.003","103.725","0.003","90.717","0.003","2550.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H166 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","1","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0691","0.0576","","","0.152","0.1608","","","","","","1.084","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568740","23.592","0.003","15.0926","0.0017","22.907","0.003","90","","118.969","0.002","90","","7135.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Cl2 Si3 -","- C34 H45 B Cl2 Si3 -","- C272 H360 B8 Cl16 Si24 -","8","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0425","0.0372","","","0.0939","0.0979","","","","","","1.031","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568741","8.7268","0.0004","11.9752","0.0005","16.8842","0.0008","72.238","0.002","79.568","0.002","73.411","0.002","1601.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 B Si2 -","- C34 H45 B Si2 -","- C68 H90 B2 Si4 -","2","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0437","0.0419","","","0.1174","0.1191","","","","","","1.056","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568742","12.085","0.002","21.926","0.004","22.008","0.004","76.903","0.003","74.67","0.003","83.086","0.003","5466.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H81 B Cl2 Si3 -","- C52 H81 B Cl2 Si3 -","- C208 H324 B4 Cl8 Si12 -","4","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0743","0.0478","","","0.1028","0.1143","","","","","","1.001","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568743","17.122","0.0014","15.7803","0.0013","20.5144","0.0017","90","","91.669","0.001","90","","5540.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 B Cl3 N2 Si3 -","- C53 H72 B Cl3 N2 Si3 -","- C212 H288 B4 Cl12 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0891","0.0968","","","","","","1.026","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568744","9.8784","0.0009","21.109","0.002","26.089","0.002","90","","93.79","0.002","90","","5428.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H81 B Cl2 N2 Si3 -","- C53 H81 B Cl2 N2 Si3 -","- C212 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0698","0.0456","","","0.098","0.1095","","","","","","1.028","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568745","10.726","0.003","30.19","0.009","24.137","0.008","90","","98.286","0.005","90","","7734","4","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H117 B Cl2 N2 Si3 -","- C79 H117 B Cl2 N2 Si3 -","- C316 H468 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.1046","0.0643","","","0.1678","0.1888","","","","","","1.026","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568746","11.9105","0.0007","20.2221","0.0009","14.3115","0.0007","90","","103.638","0.004","90","","3349.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Si3 -","- C34 H45 B Si3 -","- C136 H180 B4 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0657","0.0484","","","0.127","0.1341","","","","","","1.092","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568747","17.1027","0.0009","15.8004","0.0008","20.5088","0.0011","90","","91.84","0.003","90","","5539.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B Cl2 N2 Si3 -","- C54 H75 B Cl2 N2 Si3 -","- C216 H300 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.046","0.0341","","","0.0881","0.0964","","","","","","1.021","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568748","15.9046","0.0013","16.4022","0.0014","23.053","0.002","90","","90","","90","","6013.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H81 B Cl2 N2 Si3 -","- C61 H81 B Cl2 N2 Si3 -","- C244 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0422","0.0346","","","0.0802","0.0843","","","","","","1.045","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568749","14.8214","0.0011","26.3082","0.0018","17.7522","0.0013","90","","110.179","0.001","90","","6497.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H101.5 B N2 O0.25 Si3 -","- C67 H101.5 B N2 O0.25 Si3 -","- C268 H406 B4 N8 O Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0821","0.0503","","","0.1099","0.1269","","","","","","1.039","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568750","25.6949","0.0011","25.6949","0.0011","41.525","0.003","90","","90","","120","","23743","2","159","2","159","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C324 H204 Ag16 Cl24 O24 P8 -","- C324 H204 Ag15.998 Cl24 O24 P8 -","- C972 H612 Ag47.994 Cl72 O72 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","x-ray","0.71073","MoKα","","0.1147","0.0904","","","0.2081","0.2232","","","","","","0.909","","","","has coordinates,has disorder","284286","2023-06-05","04:39:08",""
"1568751","23.193","0.0003","23.193","0.0003","42.6267","0.0005","90","","90","","120","","19857.6","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","[Ag16(AnCO2)12(Fu3P)8].(OH)2.6H2O","","","- C276 H176 Ag16 O56 P8 -","- C276 H176 Ag16 O56 P8 -","- C828 H528 Ag48 O168 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","1.54178","CuKα","","0.1169","0.0767","","","0.1853","0.2021","","","","","","1.051","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09",""
"1568752","31.0591","0.0002","31.0591","0.0002","31.0591","0.0002","90","","90","","90","","29961.7","0.3","193","2","193","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15As)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 As8 O26 -","- C324 H228 Ag16 As8 O26 -","- C1296 H912 Ag64 As32 O104 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0741","0.0454","","","0.1061","0.117","","","","","","1.051","","","","has coordinates","284286","2023-06-05","04:39:09",""
"1568753","30.8121","0.0005","30.8121","0.0005","30.8121","0.0005","90","","90","","90","","29252.6","0.8","154","2","154","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15P)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 O26 P8 -","- C324 H228 Ag16 O25.998 P8 -","- C1296 H912 Ag64 O103.992 P32 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0411","0.037","","","0.0942","0.0965","","","","","","1.131","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09",""
"1568754","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","284236","2023-06-05","04:07:59",""
"1568755","10.105","0.002","8.9547","0.0018","10.215","0.002","90","","110.038","0.01","90","","868.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C40 H42 N2 O8 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0446","0.0415","","","0.1027","0.1048","","","","","","1.074","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568756","34.102","0.005","14.485","0.002","6.6087","0.0011","90","","94.96","0.01","90","","3252.3","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16.19 H20.19 Cl1.59 O5.5 -","- C16.1895 H20.1894 Cl1.5685 O5.5 -","- C129.516 H161.515 Cl12.548 O44 -","8","2","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0969","0.084","","","0.2207","0.2291","","","","","","1.065","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568757","6.7649","0.0005","10.9273","0.0009","14.4629","0.0014","90","","103.394","0.005","90","","1040.05","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4 Si -","- C24 H30 O4 Si -","- C48 H60 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0893","0.088","","","0.2288","0.2312","","","","","","1.071","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568758","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568759","6.3347","0.0003","12.3768","0.0005","30.9537","0.0013","90","","90","","90","","2426.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O4 Si -","- C25 H38 O4 Si -","- C100 H152 O16 Si4 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0341","0.0315","","","0.0776","0.0795","","","","","","1.045","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568760","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568761","7.267","0.003","9.667","0.003","15.436","0.004","90","","99.237","0.016","90","","1070.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4.16 Si -","- C24 H30 O4.166 Si -","- C48 H60 O8.332 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0494","0.0392","","","0.0861","0.0897","","","","","","1.024","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568762","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568763","27.6163","0.0005","45.0146","0.0005","28.506","0.0004","90","","112.072","0.002","90","","32839.8","1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C599 H792 F48 N40 O139 P8 -","- C599 H792 F48 N40 O139 P8 -","- C1198 H1584 F96 N80 O278 P16 -","2","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.1605","0.1342","","","0.4","0.4258","","","","","","1.726","","","","has coordinates,has disorder","284235","2023-06-05","04:07:42",""
"1568764","41.464","0.002","37.476","0.002","43.38","0.002","90","","99.771","0.005","90","","66431","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C448 H312 F42 N40 O126 P7 -","- C448 H312 F42 N40 O126 P7 -","- C1792 H1248 F168 N160 O504 P28 -","4","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.2999","0.221","","","0.5107","0.5612","","","","","","1.81","","","","has coordinates","284235","2023-06-05","04:07:43",""
"1568765","12.8925","0.0004","7.8461","0.0002","15.2747","0.0005","90","","100.851","0.003","90","","1517.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 4-phenyl-2-(pyrrolidin-1-yl)thiophene-3-carboxylate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.041","0.0369","","","0.098","0.1026","","","","","","1.06","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568766","8.8717","0.0004","8.9788","0.0004","10.5747","0.0004","100.966","0.004","100.107","0.004","93.879","0.004","809.68","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","ethyl 5-(4-nitrophenyl)-3-phenylisothiazole-4-carboxylate","","- C9 H7 N O2 S0.5 -","- C9 H7 N O2 S0.5 -","- C36 H28 N4 O8 S2 -","4","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.0482","0.0386","","","0.0845","0.0905","","","","","","1.071","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568767","11.0494","0.0002","10.37004","0.00019","26.5033","0.0005","90","","100.257","0.0019","90","","2988.28","0.1","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 3-phenyl-5-(pyrrolidin-1-yl)isothiazole-4-carboxylate","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C128 H144 N16 O16 S8 -","8","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.1463","0.0927","","","0.1795","0.1954","","","","","","1.174","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568768","9.7409","0.0001","7.7066","0.0001","21.1913","0.0002","90","","91.38","0.001","90","","1590.35","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-(cyclopentanecarbonothioyl)-3-phenylbutanoate","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.1184","0.1224","","","","","","1.0802","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568769","16.619","0.003","16.619","0.003","31.843","0.01","90","","90","","90","","8795","4","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C28 H21 Cu F6 N8 O4 Ti -","- C28 H21 Cu F6 N8 O4 Ti -","- C224 H168 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1176","0.0726","","","0.1992","0.2299","","","","","","1.112","","","","has coordinates,has disorder","283194","2023-05-05","01:16:14",""
"1568770","16.567","0.002","16.567","0.002","31.995","0.009","90","","90","","90","","8782","3","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H22 Cu F6 N8 O4 Ti -","- C27 H22 Cu F6 N8 O4 Ti -","- C216 H176 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1373","0.0706","","","0.1679","0.1887","","","","","","1.072","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568771","16.5421","0.0004","16.5421","0.0004","31.7992","0.0014","90","","90","","90","","8701.6","0.5","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H28 Cu F6 N8 O8 Ti -","- C26 H28 Cu F6 N8 O8 Ti -","- C208 H224 Cu8 F48 N64 O64 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0927","0.0773","","","0.227","0.2419","","","","","","1.083","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568772","16.848","0.005","16.848","0.005","31.093","0.017","90","","90","","90","","8826","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Zr -","- C26 H20 Cu F6 N8 O4 Zr -","- C208 H160 Cu8 F48 N64 O32 Zr8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0957","0.0583","","","0.1196","0.1283","","","","","","1.041","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568773","16.748","0.01","16.748","0.01","32.24","0.05","90","","90","","90","","9043","16","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Ti -","- C26 H20 Cu F6 N8 O4 Ti -","- C208 H160 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1083","0.0604","","","0.1118","0.1211","","","","","","1.045","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568774","16.228","0.004","16.228","0.004","32.536","0.018","90","","90","","90","","8568","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Si -","- C26 H20 Cu F6 N8 O4 Si -","- C208 H160 Cu8 F48 N64 O32 Si8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1293","0.0804","","","0.1806","0.2001","","","","","","1.04","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568775","16.034","0.002","23.766","0.003","11.388","0.003","90","","108.155","0.002","90","","4123.5","1.3","150","","150.01","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C50 H106 Au6 Cl8 Ga4 P6 -","- C50 H106 Au6 Cl8 Ga4 P6 -","- C100 H212 Au12 Cl16 Ga8 P12 -","2","0.25","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0637","0.0391","","","0.0882","0.1025","","","","","","1.043","","","","has coordinates,has disorder","283146","2023-05-05","00:48:14",""
"1568776","13.0624","0.001","15.2056","0.0011","21.0776","0.0016","92.022","0.002","98.393","0.002","91.024","0.002","4137.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H126 Au7 Cl6 Ga3 P6 -","- C54 H126 Au7 Cl6 Ga3 P6 -","- C108 H252 Au14 Cl12 Ga6 P12 -","2","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0472","0.0313","","","0.0681","0.0786","","","","","","1.076","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568777","17.9369","0.0002","29.9431","0.0003","26.0812","0.0003","90","","99.9143","0.0012","90","","13798.7","0.3","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H207 Au13 Cl11 Ga6 P9 -","- C90 H207 Au13 Cl11 Ga6 P9 -","- C360 H828 Au52 Cl44 Ga24 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","1.54184","CuKα","","0.0745","0.0526","","","0.127","0.1436","","","","","","1.054","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568778","16.1624","0.0005","27.8938","0.0008","28.6686","0.001","90","","94.586","0.001","90","","12883.3","0.7","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H189 Au13 Cl10 Ga5 P9 -","- C81 H189 Au13 Cl10 Ga5 P9 -","- C324 H756 Au52 Cl40 Ga20 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0619","0.0338","","","0.0637","0.0771","","","","","","1.08","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568779","25.7587","0.0004","7.7074","0.0001","16.144","0.0003","90","","92.5083","0.0006","90","","3202.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F3 N2 O4 S -","- C14 H15 F3 N2 O4 S -","- C112 H120 F24 N16 O32 S8 -","8","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.039","0.0357","","","0.089","0.0912","","","","","","1.059","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568780","9.6916","0.0002","13.1235","0.0002","13.3856","0.0002","90","","97.0695","0.0007","90","","1689.54","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F3 O2 -","- C22 H15 F3 O2 -","- C88 H60 F12 O8 -","4","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.0355","0.0326","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568781","9.2422","0.0007","11.4334","0.0007","14.3847","0.0012","87.244","0.002","72.344","0.002","78.948","0.001","1421.48","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 F3 O2 -","- C17 H13 F3 O2 -","- C68 H52 F12 O8 -","4","2","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","1.54178","CuKα","","0.037","0.0362","","","0.0903","0.0909","","","","","","1.1","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568782","14.6426","0.0007","20.0946","0.0013","32.345","0.002","90","","90","","90","","9517.1","1","223","2","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H47 N9 O14 Zn -","- C51 H47 N9 O14 Zn -","- C408 H376 N72 O112 Zn8 -","8","1","","Pook, Niels-Patrick","Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations","Crystals","2023","13","4","569","","10.3390/cryst13040569","","","0.71073","MoKα","","0.1277","0.0536","","","0.0948","0.1162","","","","","","0.908","","","","has coordinates","282348","2023-04-04","13:04:38",""
"1568783","8.8038","0.0006","16.3659","0.0012","19.8889","0.0013","90","","91.557","0.001","90","","2864.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex1","","","- C22 H28 Cl Cu Ho N6 O10 -","- C22 H28 Cl Cu Ho N6 O10 -","- C88 H112 Cl4 Cu4 Ho4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1692","0.0901","","","0.1761","0.2156","","","","","","0.865","","","","has coordinates","282349","2023-04-04","13:05:19",""
"1568784","8.8191","0.0007","16.5598","0.0014","20.0787","0.0018","90","","91.748","0.002","90","","2931","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex2","","","- C22 H28 Cl Cu Gd N6 O10 -","- C22 H28 Cl Cu Gd N6 O10 -","- C88 H112 Cl4 Cu4 Gd4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1819","0.0822","","","0.1644","0.2086","","","","","","0.788","","","","has coordinates","282350","2023-04-04","13:05:48",""
"1568785","19.9823","0.0006","13.8784","0.0005","29.3863","0.0009","90","","90","","90","","8149.5","0.5","120","","120","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C220 H196 Cl12 Dy4 N24 O24 S16 Se80 -","4","0.5","","Wan, Qingyun; Wakizaka, Masanori; Zhang, Haitao; Shen, Yongbing; Funakoshi, Nobuto; Che, Chi-Ming; Takaishi, Shinya; Yamashita, Masahiro","A New Organic Conductor of Tetramethyltetraselenafulvalene (TMTSF) with a Magnetic Dy(III) Complex","Magnetochemistry","2023","9","3","77","","10.3390/magnetochemistry9030077","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.087","0.0964","","","","","","1.029","","","","has coordinates","282352","2023-04-04","21:09:59",""
"1568786","10.85569","0.00008","25.04851","0.00019","12.39611","0.00009","90","","99.6153","0.0007","90","","3323.38","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H86 N8 O13 -","- C68 H86 N8 O13 -","- C136 H172 N16 O26 -","2","1","","Ibukun, Olamilekan Joseph; Gumtya, Milan; Singh, Surajit; Shit, Ananda; Haldar, Debasish","Effect of the spacer on the structure and self-assembly of FF peptide mimetics.","Soft matter","2023","19","17","3215","3221","10.1039/d3sm00339f","","","1.54184","CuKα","","0.0272","0.0269","","","0.0677","0.0679","","","","","","1.033","","","","has coordinates","283512","2023-05-05","03:37:44",""
"1568787","7.8478","0.0006","4.8691","0.0003","42.509","0.003","90","","92.142","0.006","90","","1623.2","0.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N2 O4 -","- C36 H50 N2 O4 -","- C72 H100 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.71073","MoKα","","0.0847","0.0492","","","0.1045","0.1192","","","","","","1.019","","","","has coordinates","282366","2023-04-05","02:11:32",""
"1568788","7.873","0.0002","4.84356","0.00013","33.0246","0.0009","90","","95.025","0.003","90","","1254.5","0.06","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O4 -","- C28 H34 N2 O4 -","- C56 H68 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.71073","MoKα","","0.0565","0.0463","","","0.1128","0.1182","","","","","","1.096","","","","has coordinates","282367","2023-04-05","02:12:06",""
"1568789","7.8486","0.0005","4.8383","0.0005","37.741","0.002","90","","95.026","0.006","90","","1427.66","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O4 -","- C32 H42 N2 O4 -","- C64 H84 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.56087","AgKα","","0.0659","0.0439","","","0.1064","0.1189","","","","","","1.044","","","","has coordinates","282368","2023-04-05","02:12:41",""
"1568790","11.6071","0.0016","16.655","0.002","11.7541","0.0019","90","","113.396","0.003","90","","2085.4","0.5","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl F6 N2 O4 P Ru -","- C42 H48 Cl F6 N2 O4 P Ru -","- C84 H96 Cl2 F12 N4 O8 P2 Ru2 -","2","1","","Kacsir, István; Sipos, Adrienn; Major, Evelin; Bajusz, Nikolett; Bényei, Attila; Buglyó, Péter; Somsák, László; Kardos, Gábor; Bai, Péter; Bokor, Éva","Half-Sandwich Type Platinum-Group Metal Complexes of C-Glucosaminyl Azines: Synthesis and Antineoplastic and Antimicrobial Activities","Molecules","2023","28","7","3058","","10.3390/molecules28073058","","x-ray","0.71073","MoKα","","0.1504","0.0826","","","0.1483","0.1847","","","","","","1.065","","","","has coordinates","282369","2023-04-05","02:13:14",""
"1568791","14.3522","0.0012","18.7197","0.0016","7.4273","0.0006","90","","92.155","0.003","90","","1994.1","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","","Surov, Artem O.; Ramazanova, Anna G.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Virtual Screening, Structural Analysis, and Formation Thermodynamics of Carbamazepine Cocrystals.","Pharmaceutics","2023","15","3","836","","10.3390/pharmaceutics15030836","","","0.71073","MoKα","","0.0634","0.0414","","","0.1033","0.1168","","","","","","1.017","","","","has coordinates","282370","2023-04-05","05:06:44",""
"1568792","4.93312","","5.7245","","4.95368","","90","","90.0857","","90","","139.89","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","light wolframite","","","- Fe O4 W -","- Fe O4 W -","- Fe2 O8 W2 -","2","0.5","","Patil, Amitkumar R.; Dongale, Tukaram D.; Namade, Lahu D.; Mohite, Santosh V.; Kim, Y.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.","Sprayed FeWO4 thin film-based memristive device with negative differential resistance effect for non-volatile memory and synaptic learning applications","Journal of Colloid and Interface Science","2023","642","","540","","10.1016/j.jcis.2023.03.189","","","","","","","","","","","","","","","","","","","","","has coordinates","282391","2023-04-05","08:37:11",""
"1568793","57.933","0.007","57.933","0.007","57.933","0.007","90","","90","","90","","194437","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C522 H496 N72 Ni52 O264 -","- C522 H496 N72 Ni52 O264 -","- C4176 H3968 N576 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.71073","MoKα","","0.0484","0.0408","","","0.1171","0.1209","","","","","","1.053","","","","has coordinates","282412","2023-04-05","11:40:08",""
"1568794","58.6","0.007","58.6","0.007","58.6","0.007","90","","90","","90","","201230","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C540 H544 N60 Ni52 O264 -","- C540 H544 N60 Ni52 O264 -","- C4320 H4352 N480 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.7","synchrotron","","0.0639","0.05","","","0.1555","0.165","","","","","","1.025","","","","has coordinates,has disorder","282412","2023-04-05","11:40:09",""
"1568795","58.069","0.007","58.069","0.007","58.069","0.007","90","","90","","90","","195809","4","100","2","100","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C504 H442 Br18 N72 Ni52 O264 -","- C504 H442 Br18 N72 Ni52 O264 -","- C4032 H3536 Br144 N576 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.71073","MoKα","","0.0653","0.0592","","","0.1607","0.1646","","","","","","1.026","","","","has coordinates","282412","2023-04-05","11:40:09",""
"1568796","58.38","0.007","58.38","0.007","58.38","0.007","90","","90","","90","","198972","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C522 H496 Co52 N72 O264 -","- C522 H496 Co52 N72 O264 -","- C4176 H3968 Co416 N576 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.7","synchrotron","","0.0457","0.0413","","","0.1144","0.1171","","","","","","1.067","","","","has coordinates,has disorder","282412","2023-04-05","11:40:09",""
"1568797","10.874","0.0008","7.0136","0.0006","12.2891","0.0012","90","","92.313","0.005","90","","936.48","0.14","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxy-3-nitrophenyl)acetamide","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","HB4429","Hines III, James E.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.; Uppu, Rao M.","N-(4-Methoxy-3-nitrophenyl)acetamide","IUCrData","2023","8","4","","","10.1107/S2414314623002985","","","1.54184","CuKα","","0.073","0.0588","","","0.1659","0.1762","","","","","","1.075","","","","has coordinates,has disorder","282413","2023-04-05","11:42:17",""
"1568798","22.2542","0.0005","13.9368","0.0004","11.6414","0.0003","90","","108.465","0.001","90","","3424.72","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Bi Br2 N3 Si2 -","- C30 H48 Bi Br2 N3 Si2 -","- C120 H192 Bi4 Br8 N12 Si8 -","4","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.1586","0.1511","","","0.386","0.4076","","","","","","1.842","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568799","9.6987","0.0008","11.0671","0.0009","13.5493","0.0012","109.747","0.003","92.089","0.003","104.352","0.003","1314.5","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","1","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0756","0.066","","","0.1736","0.184","","","","","","1.024","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568800","11.0336","0.0014","12.7111","0.0018","17.108","0.002","81.082","0.006","79.522","0.005","65.058","0.005","2131.1","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 Bi N3 O4 S2 -","- C45 H57 Bi N3 O4 S2 -","- C90 H114 Bi2 N6 O8 S4 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.072","0.0503","","","0.1146","0.1335","","","","","","1.115","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568801","33.0206","0.001","10.3986","0.0003","29.787","0.0009","90","","90","","90","","10227.9","0.5","150","2","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H75 Bi N5 O4 S2 -","- C49 H75 Bi N5 O4 S2 -","- C392 H600 Bi8 N40 O32 S16 -","8","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0376","0.0319","","","0.0695","0.0755","","","","","","1.102","","","","has coordinates,has disorder","283144","2023-05-05","00:45:47",""
"1568802","16.4085","0.0016","18.924","0.0019","19.8569","0.0019","83.424","0.004","89.804","0.004","66.363","0.004","5605.3","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C112 H132 Bi2 Br4 N8 O8 S4 -","- C100 H120 Bi2 Br4 N8 O8 S4 -","- C200 H240 Bi4 Br8 N16 O16 S8 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.0776","0.0528","","","0.1372","0.1674","","","","","","1.111","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568803","8.4705","0.0001","17.9094","0.0003","20.2338","0.0003","90","","90","","90","","3069.5","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Co(CCH)","","- C35 H44 Co N3 -","- C35 H44 Co N3 -","- C140 H176 Co4 N12 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0484","0.0364","","","0.0721","0.0769","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:27",""
"1568804","10.4302","0.0001","24.0268","0.0002","12.3185","0.0001","90","","93.201","0.001","90","","3082.25","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(NDipp)2(CMe)2(C5H3N)]Rh(CCH)","","- C35 H44 N3 Rh -","- C35 H44 N3 Rh -","- C140 H176 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0302","0.0292","","","0.0741","0.0748","","","","","","1.102","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568805","12.9433","0.0002","15.1992","0.0003","20.7647","0.0003","76.385","0.002","79.845","0.002","87.162","0.002","3907.87","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)2}[BArF4]","","- C75 H73 B Co F24 N5 -","- C75 H73 B Co F24 N5 -","- C150 H146 B2 Co2 F48 N10 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0609","0.0522","","","0.1383","0.147","","","","","","1.044","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568806","11.7885","0.0001","16.6101","0.0002","18.5455","0.0002","90","","99.763","0.001","90","","3578.77","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na(THF)[(NDipp)2(CMe)(CCH2)(C5H3N)]Co(CCH)","","- C39 H51 Co N3 Na O -","- C39 H51 Co N3 Na O -","- C156 H204 Co4 N12 Na4 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.034","0.0301","","","0.0806","0.0831","","","","","","1.037","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568807","8.4966","0.0001","17.9973","0.0002","20.3635","0.0002","90","","90","","90","","3113.9","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Rh(CP)","","- C34 H43 N3 P Rh -","- C34 H43 N3 P Rh -","- C136 H172 N12 P4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0225","0.0214","","","0.0562","0.0569","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568808","17.4943","0.0005","17.8665","0.0006","22.1081","0.0006","90","","104.528","0.003","90","","6689.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Co(CO)}[BArF4]","","- C66 H55 B Co F24 N3 O -","- C66 H55 B Co F24 N3 O -","- C264 H220 B4 Co4 F96 N12 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0924","0.0614","","","0.1531","0.166","","","","","","1.061","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568809","14.3644","0.0002","15.5532","0.0002","16.5724","0.0002","91.085","0.001","102.787","0.001","99.37","0.001","3556.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)}[BArF4]","","- C70 H64 B Co F24 N4 -","- C70 H64 B Co F24 N4 -","- C140 H128 B2 Co2 F48 N8 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0485","0.0458","","","0.1242","0.1266","","","","","","1.077","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568810","14.4106","0.0004","15.5555","0.0003","16.6974","0.0005","90.441","0.002","103.544","0.002","100.297","0.002","3575.45","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CNtBu)}[BArF4]","","- C70 H64 B F24 N4 Rh -","- C70 H64 B F24 N4 Rh -","- C140 H128 B2 F48 N8 Rh2 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0447","0.0417","","","0.1085","0.1117","","","","","","1.019","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568811","17.514","0.0001","17.7479","0.0001","22.3688","0.0001","90","","104.161","0.001","90","","6741.76","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CO)}[BArF4]","","- C66 H55 B F24 N3 O Rh -","- C66 H55 B F24 N3 O Rh -","- C264 H220 B4 F96 N12 O4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0459","0.0411","","","0.108","0.1128","","","","","","1.06","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568812","17.5964","0.0002","17.6516","0.0002","22.6324","0.0002","90","","104.783","0.001","90","","6797.04","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(C2H4)}[BArF4]","","- C67 H59 B F24 N3 Rh -","- C67 H59 B F24 N3 Rh -","- C268 H236 B4 F96 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0546","0.0477","","","0.1286","0.1366","","","","","","1.039","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568813","16.0874","0.0011","16.5041","0.001","17.143","0.0008","86.593","0.004","64.6","0.005","61.518","0.007","3553.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[(NDipp)2(CMe)2(C5H3N)]RhMe","","- C37.25 H51.5 N3 Rh -","- C37.25 H51.5 N3 Rh -","- C149 H206 N12 Rh4 -","4","2","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0742","0.0574","","","0.149","0.1693","","","","","","1.031","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568814","17.3674","0.0001","29.7047","0.0002","23.9524","0.0001","90","","90","","90","","12356.9","0.12","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","{(NDipp)2(CMe)2(C5H3N)}RhCl*1.333THF*0.666pent","","- C41.666 H61.666 Cl N3 O1.333 Rh -","- C41.6667 H61.6667 Cl N3 O1.33333 Rh -","- C500 H740 Cl12 N36 O16 Rh12 -","12","1.5","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0415","0.038","","","0.0981","0.102","","","","","","1.036","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568815","4.018","0.0002","7.9129","0.0003","12.2528","0.0005","84.363","0.003","87.988","0.004","84.405","0.004","385.71","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C20 H14 S2 -","1","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0403","0.0382","","","0.1016","0.1033","","","","","","1.059","","","","has coordinates","284926","2023-07-05","10:25:05",""
"1568816","4.0524","0.0002","8.0222","0.0003","13.5176","0.0007","75.943","0.004","84.88","0.004","83.356","0.004","422.57","0.04","102","4","102","4","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C22 H14 S2 -","1","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0904","0.0919","","","","","","1.103","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568817","7.397","0.0001","9.822","0.0001","18.7581","0.0003","94.62","0.001","98.47","0.001","110.871","0.001","1246.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O S -","- C14 H14 O S -","- C56 H56 O4 S4 -","4","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0833","0.0845","","","","","","1.048","","","","has coordinates,has disorder","284926","2023-07-05","10:25:06",""
"1568818","3.8055","0.0001","25.5128","0.001","5.95","0.0002","90","","93.327","0.003","90","","576.71","0.03","103","4","103","4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 -","- C16 H8 N2 -","- C32 H16 N4 -","2","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0586","0.0508","","","0.1408","0.1459","","","","","","1.107","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568819","7.3018","0.0003","8.2369","0.0003","19.0284","0.0007","90","","100.137","0.004","90","","1126.58","0.08","111","16","111","16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S2 -","- C28 H22 S2 -","- C56 H44 S4 -","2","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.072","0.069","","","0.1974","0.1995","","","","","","1.082","","","","has coordinates,has disorder","284926","2023-07-05","10:25:06",""
"1568820","16.2725","0.0002","5.9701","0.0001","23.8665","0.0003","90","","103.114","0.001","90","","2258.13","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0906","0.092","","","","","","1.07","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568821","7.8557","0.0003","9.7053","0.0003","38.6997","0.0009","90","","90","","90","","2950.54","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1097","0.1136","","","","","","1.057","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568822","7.8154","0.0001","6.0042","0.0001","24.4944","0.0004","90","","98.117","0.002","90","","1137.89","0.03","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","","1.54184","CuKα","","0.0371","0.0332","","","0.0859","0.0885","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568823","9.1799","0.0001","6.9065","0.0001","20.6965","0.0002","90","","90","","90","","1312.18","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N S -","- C17 H13 N S -","- C68 H52 N4 S4 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0836","0.0855","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568824","8.436","0.002","10.75","0.003","11.338","0.003","113.913","0.005","97.392","0.004","98.975","0.005","907.2","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","","- C15 H13 F3 I N O7 -","- C15 H13 F3 I N O7 -","- C30 H26 F6 I2 N2 O14 -","2","1","TK4090","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","IUCrData","2023","8","4","","","10.1107/S2414314623003000","","x-ray","0.71073","MoKα","","0.0925","0.0601","","","0.1307","0.1445","","","","","","1.042","","","","has coordinates","282499","2023-04-07","02:21:48",""
"1568825","10.7366","0.0003","9.5341","0.0004","22.6716","0.0007","90","","91.603","0.002","90","","2319.84","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","","- C28 H23 N O4 Si -","- C28 H23 N O4 Si -","- C112 H92 N4 O16 Si4 -","4","1","PK4039","Böhme, Uwe; Fels, Sabine","{N-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","IUCrData","2023","8","4","","","10.1107/S2414314623003061","","","0.71073","MoKα","","0.0432","0.0365","","","0.0892","0.0947","","","","","","1.07","","","","has coordinates","282500","2023-04-07","02:22:18",""
"1568826","19.3447","0.0015","19.3447","0.0015","10.3928","0.001","90","","90","","90","","3889.2","0.6","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H17 Li O2 -","- C8 H17 Li O2 -","- C128 H272 Li16 O32 -","16","1","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0649","0.0511","","","0.1476","0.1601","","","","","","1.033","","","","has coordinates,has disorder","284160","2023-06-05","03:20:35",""
"1568827","8.1843","0.0017","11.066","0.003","13.037","0.003","113.372","0.007","102.438","0.007","98.398","0.008","1022.5","0.4","100","","100","","","","","","","","THF","5","P -1","-P 1","2","","","","- C8 H17 Li O S -","- C8 H17 Li O S -","- C32 H68 Li4 O4 S4 -","4","2","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0772","0.0535","","","0.1133","0.1221","","","","","","1.062","","","","has coordinates,has disorder","284160","2023-06-05","03:20:39",""
"1568828","13.3846","0.0008","6.8793","0.0004","14.7878","0.0008","90","","103.033","0.003","90","","1326.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0881","0.09","","","","","","1.041","","","","has coordinates","284249","2023-06-05","04:14:43",""
"1568829","15.0119","0.0006","9.3425","0.0003","19.524","0.0008","90","","99.233","0.003","90","","2702.74","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N O6 -","- C32 H26 Cl N O6 -","- C128 H104 Cl4 N4 O24 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0875","0.0523","","","0.1228","0.1426","","","","","","1.023","","","","has coordinates,has disorder","284249","2023-06-05","04:14:46",""
"1568830","15.085","0.003","19.98","0.004","27.634","0.006","90","","96.34","0.03","90","","8278","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H162 Ag20 F30 N2 O24 S10 -","- C129 H162 Ag20 F30 N2 O24 S10 -","- C258 H324 Ag40 F60 N4 O48 S20 -","2","0.5","","Biswas, Sourav; Das, Anish Kumar; Sardar, Avirup; Manna, Surya Sekhar; Mondal, Pradip Kumar; Polentarutti, Maurizio; Pathak, Biswarup; Mandal, Sukhendu","Luminescent [CO<sub>2</sub>@Ag<sub>20</sub>(SAdm)<sub>10</sub>(CF<sub>3</sub>COO)<sub>10</sub>(DMA)<sub>2</sub>] nanocluster: synthetic strategy and its implication towards white light emission.","Nanoscale","2023","15","18","8377","8386","10.1039/d3nr01107k","","","0.6199","Synchrotron","","0.1625","0.1333","","","0.3906","0.4158","","","","","","1.517","","","","has coordinates,has disorder","284287","2023-06-05","04:39:40",""
"1568831","9.5629","0.0003","15.6651","0.0005","16.4537","0.0004","94.212","0.002","100.25","0.002","100.06","0.003","2374.26","0.12","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 Au N2 -","- C27 H31 Au N2 -","- C108 H124 Au4 N8 -","4","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0577","0.0485","","","0.1209","0.1298","","","","","","1.0687","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568832","16.0425","0.0001","12.1872","0.0001","20.8413","0.0002","90","","97.682","0.001","90","","4038.18","0.06","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0881","0.089","","","","","","1.0399","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568833","16.7868","0.0003","12.3101","0.0002","17.1432","0.0003","90","","103.35","0.002","90","","3446.87","0.11","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0497","0.0477","","","0.1317","0.134","","","","","","1.0204","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568834","10.9926","0.0002","16.4651","0.0003","18.3046","0.0003","90","","94.072","0.002","90","","3304.66","0.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Au Cl2 N2 -","- C34 H45 Au Cl2 N2 -","- C136 H180 Au4 Cl8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0498","0.0441","","","0.1163","0.1212","","","","","","1.0118","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568835","8.2965","0.0002","11.9629","0.0003","16.0732","0.0003","89.314","0.002","78.497","0.002","87.861","0.002","1562.12","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H39 Au N3 -","- C35 H39 Au N3 -","- C70 H78 Au2 N6 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0461","0.0444","","","0.1145","0.116","","","","","","1.0401","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568836","11.7863","0.0001","15.7956","0.0001","14.4268","0.0001","90","","94.919","0.001","90","","2675.97","0.03","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au N2 -","- C30 H37 Au N2 -","- C120 H148 Au4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0297","0.0271","","","0.067","0.0686","","","","","","1.031","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568837","16.69467","0.00019","12.23706","0.00011","16.78001","0.00016","90","","104.225","0.0011","90","","3322.94","0.06","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0376","0.0371","","","0.0958","0.0964","","","","","","1.0498","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568838","17.4227","0.0001","14.0371","0.0001","43.5602","0.0004","90","","90","","90","","10653.3","0.14","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Au N2 -","- C29 H35 Au N2 -","- C464 H560 Au16 N32 -","16","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0412","0.0351","","","0.0883","0.0924","","","","","","1.045","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568839","16.509","0.0003","12.9598","0.0002","16.9009","0.0002","90","","105.088","0.002","90","","3491.35","0.1","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0361","0.0345","","","0.0884","0.0898","","","","","","1.0288","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568840","13.0739","0.0001","14.95","0.0001","20.4687","0.0002","90","","104.803","0.001","90","","3867.92","0.06","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0301","0.0279","","","0.0737","0.0753","","","","","","1.03","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568841","9.6128","0.0005","10.8509","0.0003","17.3973","0.0004","88.55","0.002","79.264","0.003","67.884","0.004","1649.72","0.12","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0535","0.0501","","","0.1379","0.1418","","","","","","1.0264","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568842","16.3119","0.0002","13.8965","0.0001","16.6717","0.0002","90","","106.95","0.001","90","","3614.95","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0882","0.0887","","","","","","1.0411","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568843","18.47467","0.00018","10.43735","0.00009","17.53427","0.00017","90","","107.246","0.001","90","","3229.06","0.06","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.1","0.1045","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568844","16.4431","0.0001","13.9767","0.0001","16.9424","0.0001","90","","105.866","0.001","90","","3745.37","0.05","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0385","0.0378","","","0.0981","0.0991","","","","","","1.0385","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568845","11.32485","0.00005","13.6215","0.00007","23.47007","0.00011","90","","96.4045","0.0004","90","","3597.93","0.03","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0244","0.0234","","","0.0584","0.059","","","","","","1.0468","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568846","10.3982","0.0001","10.703","0.0001","17.5621","0.0002","74.354","0.001","81.135","0.001","79.723","0.001","1840.28","0.03","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0479","0.0456","","","0.1153","0.1174","","","","","","1.0062","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568847","18.3269","0.0002","10.2984","0.0001","17.2337","0.0001","90","","106.86","0.001","90","","3112.84","0.05","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0956","0.0977","","","","","","1.0305","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568848","10.7939","0.0001","15.2361","0.0001","13.1834","0.0001","90","","111.731","0.001","90","","2014.02","0.03","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C78 H86 Au2 F8 I4 N4 -","2","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.0992","0.101","","","","","","1.0208","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568849","16.66","0.0001","13.0052","0.0001","17.1537","0.0001","90","","104.197","0.001","90","","3603.12","0.04","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0233","0.0225","","","0.057","0.0575","","","","","","1.0512","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568850","9.7941","0.0004","10.9878","0.0004","17.6423","0.0003","88.379","0.002","78.949","0.003","67.222","0.004","1715.85","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0667","0.0608","","","0.1701","0.1768","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568851","13.0387","0.0003","14.9567","0.0002","20.4774","0.0004","90","","104.695","0.002","90","","3862.79","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0607","0.0514","","","0.1349","0.1426","","","","","","1.0198","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568852","11.4633","0.00005","13.75475","0.00006","23.61408","0.0001","90","","96.0965","0.0004","90","","3702.29","0.03","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0284","0.0261","","","0.0687","0.0702","","","","","","1.0238","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568853","10.3331","0.0002","10.6351","0.0002","17.2876","0.0003","74.096","0.001","80.819","0.001","78.995","0.001","1781.87","0.06","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0406","0.0399","","","0.1033","0.1041","","","","","","1.0407","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568854","15.9833","0.0002","12.141","0.0001","20.265","0.0002","90","","97.592","0.001","90","","3898.02","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.0801","0.0807","","","","","","1.0593","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568855","11.6468","0.0008","16.5589","0.0012","21.055","0.0017","90","","90","","90","","4060.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O8 S2 Si2 -","- C38 H46 N2 O8 S2 Si2 -","- C152 H184 N8 O32 S8 Si8 -","4","1","","Feng, Lili; Chen, Xiaofan; Guo, Ning; Zhou, Yuqiao; Lin, Lili; Cao, Weidi; Feng, Xiaoming","Visible-light-induced chemo-, diastereo- and enantioselective α-C(sp3)–H functionalization of alkyl silanes","Chemical Science","2023","14","17","4516","4522","10.1039/D3SC00919J","","","0.71073","MoKα","","0.0345","0.0328","","","0.0749","0.0759","","","","","","1.103","","","","has coordinates","283193","2023-05-05","01:15:13",""
"1568856","9.6431","0.0011","10.8092","0.0015","13.5182","0.0016","102.572","0.003","96.872","0.002","102.262","0.003","1323.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Al N2 O3 -","- C27 H35 Al N2 O3 -","- C54 H70 Al2 N4 O6 -","2","1","","Peng, Zengping; Ahmed, Hassan; Xu, Guangqiang; Guo, Xuanhua; Yang, Rulin; Sun, Hongguang; Wang, Qinggang","Exploring ligand substituent effects on stereoselective polymerization of racemic lactide using aluminium salen-type complexes","Polymer Chemistry","2023","14","18","2174","2180","10.1039/D3PY00228D","","","0.71073","MoKα","","0.1962","0.121","","","0.312","0.3414","","","","","","1.275","","","","has coordinates,has disorder","284345","2023-06-05","05:02:19",""
"1568857","9.6879","0.0008","11.1191","0.0011","14.2499","0.0013","102.047","0.003","103.197","0.003","96.808","0.002","1439.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Al N2 O3 -","- C29 H39 Al N2 O3 -","- C58 H78 Al2 N4 O6 -","2","1","","Peng, Zengping; Ahmed, Hassan; Xu, Guangqiang; Guo, Xuanhua; Yang, Rulin; Sun, Hongguang; Wang, Qinggang","Exploring ligand substituent effects on stereoselective polymerization of racemic lactide using aluminium salen-type complexes","Polymer Chemistry","2023","14","18","2174","2180","10.1039/D3PY00228D","","","0.71073","MoKα","","0.1655","0.1123","","","0.2835","0.3078","","","","","","1.08","","","","has coordinates,has disorder","284345","2023-06-05","05:02:21",""
"1568858","11.4014","0.0005","16.6771","0.0007","22.4823","0.0009","99.153","0.002","96.453","0.002","91.012","0.002","4190.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H96 Cl2 D6 O3 P4 Rh2 -","- C104 H96 Cl2 D6 O3 P4 Rh2 -","- C208 H192 Cl4 D12 O6 P8 Rh4 -","2","1","","Bush, Nancy G.; Assefa, Mikiyas K.; Bac, Selin; Mallikarjun Sharada, Shaama; Fieser, Megan E.","Controlling selectivity for dechlorination of poly(vinyl chloride) with (xantphos)RhCl.","Materials horizons","2023","10","6","2047","2052","10.1039/d2mh01293f","","","1.54178","CuKα","","0.0294","0.0276","","","0.0697","0.0711","","","","","","1.048","","","","has coordinates","284982","2023-07-05","11:05:49",""
"1568859","9.848","0.0004","11.6412","0.0005","14.0807","0.0006","71.591","0.004","74.372","0.004","75.139","0.004","1448.83","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 N3 O P Pd S -","- C32 H26 N3 O P Pd S -","- C64 H52 N6 O2 P2 Pd2 S2 -","2","1","","Clinton, Savarimuthu Selvan; Ramesh, Rengan; Malecki, Jan Grzegorz","Orthometallated Pd(ii) C^N^S pincer complex catalyzed sustainable synthesis of bis(indolyl)methanes via acceptorless dehydrogenative coupling of alcohols","Catalysis Science & Technology","2023","13","11","3358","3365","10.1039/D3CY00333G","","x-ray","0.71073","MoKα","","0.0653","0.0387","","","0.0761","0.0887","","","","","","1.044","","","","has coordinates","284827","2023-07-05","08:25:09",""
"1568860","12.4506","0.0006","12.976","0.0006","16.2431","0.0006","74.198","0.004","73.222","0.004","63.566","0.004","2217.94","0.19","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","1","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1163","0.1194","","","","","","1.036","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568861","12.38232","0.00018","28.8484","0.0003","21.8547","0.0002","90","","93.1984","0.0012","90","","7794.56","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H134 Ca Mg N4 -","- C90 H134 Ca Mg N4 -","- C360 H536 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.044","0.0362","","","0.0879","0.0928","","","","","","1.018","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568862","29.7787","0.0003","16.8207","0.0002","14.94992","0.00017","90","","90.0659","0.001","90","","7488.39","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Ca2 N4 -","- C84 H122 Ca2 N4 -","- C336 H488 Ca8 N16 -","4","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.089","0.0917","","","","","","1.041","","","","has coordinates","284239","2023-06-05","04:09:58",""
"1568863","21.5514","0.0003","13.0869","0.0002","29.0951","0.0004","90","","90","","90","","8206","0.2","100","0.3","100","0.3","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C94 H136 Ca Mg N4 -","- C94 H136 Ca Mg N4 -","- C376 H544 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1356","0.1425","","","","","","1.02","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568864","47.9193","0.0006","12.7914","0.0002","27.3845","0.0004","90","","98.7696","0.0012","90","","16589.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92.85 H135.3 Ca2 N4 -","- C92.8432 H135.301 Ca2 N4 -","- C742.746 H1082.41 Ca16 N32 -","8","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","","1.54184","CuKα","","0.0457","0.0392","","","0.0974","0.1023","","","","","","1.041","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568865","5.6498","0.0002","9.6522","0.0003","22.2488","0.0006","90","","92.285","0.002","90","","1212.33","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H11 F21 O -","- C21 H11 F21 O -","- C42 H22 F42 O2 -","2","1","","Balletti, Matteo; Wachsmuth, Tommy; Di Sabato, Antonio; Hartley, Will C.; Melchiorre, Paolo","Enantioselective catalytic remote perfluoroalkylation of α-branched enals driven by light.","Chemical science","2023","14","18","4923","4927","10.1039/d3sc01347b","","","1.54178","CuKα","","0.0476","0.0444","","","0.1162","0.1184","","","","","","1.07","","","","has coordinates","284237","2023-06-05","04:08:08",""
"1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","282654","2023-04-15","02:01:15",""
"1568867","7.9377","0.001","9.5122","0.0012","14.8507","0.0019","97.129","0.003","98.579","0.003","105.788","0.003","1050.8","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 B N2 O2 -","- C28 H19 B N2 O2 -","- C56 H38 B2 N4 O4 -","2","1","","Zhang, Xue; Sukhanov, Andrey A.; Liu, Xi; Taddei, Maria; Zhao, Jianzhang; Harriman, Anthony; Voronkova, Violeta K.; Wan, Yan; Dick, Bernhard; Di Donato, Mariangela","Origin of intersystem crossing in highly distorted organic molecules: a case study with red light-absorbing <i>N</i>,<i>N</i>,<i>O</i>,<i>O</i>-boron-chelated Bodipys.","Chemical science","2023","14","19","5014","5027","10.1039/d3sc00854a","","","0.71073","MoKα","","0.1459","0.0659","","","0.1116","0.1362","","","","","","1.025","","","","has coordinates","284215","2023-06-05","03:57:59",""
"1568868","9.974","0.005","13.582","0.006","14.781","0.007","94.4","0.006","104.251","0.005","106.946","0.005","1832.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 N4 Pt -","- C42 H50 N4 Pt -","- C84 H100 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent <i>trans</i>-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0284","0.0256","","","0.0686","0.0696","","","","","","1.136","","","","has coordinates","284233","2023-06-05","04:06:49",""
"1568869","9.2266","0.0016","9.97","0.0018","19.841","0.004","84.973","0.002","78.024","0.002","64.618","0.002","1613.1","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N4 Pt -","- C38 H42 N4 Pt -","- C76 H84 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent <i>trans</i>-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0439","0.0302","","","0.0544","0.0601","","","","","","1.044","","","","has coordinates","284233","2023-06-05","04:06:58",""
"1568870","20.5768","0.0007","16.8498","0.0004","22.4111","0.0008","90","","102.858","0.003","90","","7575.4","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl Fe Ga N4 P5 Si -","- C54 H79 Cl Fe Ga N4 P5 Si -","- C216 H316 Cl4 Fe4 Ga4 N16 P20 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0776","0.0633","","","0.1505","0.1587","","","","","","1.045","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568871","10.233","0.002","12.188","0.002","18.128","0.006","83.16","0.02","75.84","0.02","74.802","0.016","2111.9","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Cl Ga Ge N4 -","- C44 H64 Cl Ga Ge N4 -","- C88 H128 Cl2 Ga2 Ge2 N8 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1136","0.1192","","","","","","1.053","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568872","26.1402","0.0008","17.811","0.0004","27.9689","0.0006","90","","90","","90","","13021.8","0.6","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Cl Fe Ga N4 P5 Si -","- C60 H93 Cl Fe Ga N4 P5 Si -","- C480 H744 Cl8 Fe8 Ga8 N32 P40 Si8 -","8","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0638","0.0399","","","0.0934","0.1035","","","","","","1.022","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568873","13.5496","0.0007","15.458","0.0008","16.9929","0.0009","91.392","0.004","107.271","0.004","110.499","0.004","3150.6","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C114 H172 As10 Cl2 Fe2 Ga2 N8 Si2 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0567","0.0343","","","0.0761","0.0825","","","","","","1.028","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568874","15.3662","0.001","17.8212","0.0014","23.9686","0.0014","90","","106.448","0.005","90","","6295.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C228 H344 As20 Cl4 Fe4 Ga4 N16 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0463","0.0309","","","0.0602","0.0658","","","","","","1.052","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568875","37.8546","0.0006","16.4222","0.0002","19.9888","0.0004","90","","96.796","0.001","90","","12338.8","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C456 H632 As40 Cl8 D24 Fe8 Ga8 Ge8 N32 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0886","0.0599","","","0.1445","0.1671","","","","","","1.056","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568876","37.7246","0.0008","16.1228","0.0002","19.9295","0.0004","90","","96.801","0.002","90","","12036.3","0.4","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 Cl D3 Fe Ga N4 P5 Si -","- C57 H82 Cl Fe1.0003 Ga N4 P5.0015 Si -","- C456 H656 Cl8 Fe8.0024 Ga8 N32 P40.012 Si8 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.1118","0.0612","","","0.1182","0.1395","","","","","","1.055","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568877","20.8659","0.0013","11.4511","0.0009","8.7949","0.0005","90","","95.531","0.006","90","","2091.6","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O2 -","- C26 H24 N4 O2 -","- C104 H96 N16 O8 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0903","0.0719","","","0.1739","0.1899","","","","","","1.067","","","","has coordinates","284234","2023-06-05","04:07:08",""
"1568878","21.2739","0.0012","11.0135","0.0008","8.6873","0.0005","90","","95.211","0.005","90","","2027","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C104 H96 N16 O4 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0505","0.042","","","0.0975","0.1039","","","","","","1.05","","","","has coordinates","284234","2023-06-05","04:07:09",""
"1568879","10.744","0.002","6.4582","0.0012","26.975","0.005","90","","90.886","0.006","90","","1871.5","0.6","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)<sub>3</sub>-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.2476","0.1243","","","0.2455","0.2928","","","","","","1.068","","","","has coordinates","284212","2023-06-05","03:55:31",""
"1568880","11.0488","0.0006","6.4191","0.0003","14.6827","0.0007","90","","99.43","0.002","90","","1027.27","0.09","276","2","276","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 N S -","- C28 H21 N S -","- C56 H42 N2 S2 -","2","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)<sub>3</sub>-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.0561","0.0411","","","0.0881","0.0961","","","","","","1.04","","","","has coordinates","284212","2023-06-05","03:55:34",""
"1568881","12.782","0.003","7.6564","0.0015","32.715","0.007","90","","90","","90","","3201.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.087","0.0764","","","0.2052","0.2115","","","","","","1.187","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568882","29.6286","0.0006","29.6286","0.0006","7.6747","0.0003","90","","90","","120","","5834.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C306 H234 N18 O54 -","18","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.0799","0.0668","","","0.2022","0.2181","","","","","","1.063","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568883","18.6396","0.0018","9.9559","0.0007","7.3","0.0006","90","","96.583","0.007","90","","1345.8","0.2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","1.54184","CuKα","","0.0472","0.0397","","","0.1183","0.1275","","","","","","1.064","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568884","17.4083","0.0003","18.0287","0.0004","28.2153","0.0005","90","","90","","90","","8855.3","0.3","101","2","101.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Al O2 P -","- C50 H66 Al O2 P -","- C400 H528 Al8 O16 P8 -","8","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0367","0.0345","","","0.0912","0.0927","","","","","","1.03","","","","has coordinates","284343","2023-06-05","05:01:45",""
"1568885","18.8537","0.0003","15.5489","0.0002","18.2578","0.0003","90","","103.111","0.001","90","","5212.83","0.14","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 Al O2 P -","- C59 H78 Al O2 P -","- C236 H312 Al4 O8 P4 -","4","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0553","0.0533","","","0.1426","0.1442","","","","","","1.049","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46",""
"1568886","15.9438","0.0004","17.9944","0.0003","18.5158","0.0004","73.892","0.002","88.976","0.002","88.672","0.002","5101.9","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H152 Al2 O4 P2 -","- C116 H152 Al2 O4 P2 -","- C232 H304 Al4 O8 P4 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","x-ray","1.54184","CuKα","","0.0405","0.0378","","","0.0978","0.0996","","","","","","1.032","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46",""
"1568887","12.9446","0.0004","14.8659","0.0006","17.9817","0.0007","109.495","0.004","92.1","0.003","107.404","0.003","3076.5","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H82 Al O4 P -","- C60.5 H82 Al O4 P -","- C121 H164 Al2 O8 P2 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","x-ray","1.54184","CuKα","","0.1128","0.0969","","","0.2643","0.2786","","","","","","1.137","","","","has coordinates","284343","2023-06-05","05:01:46",""
"1568888","12.6448","0.0002","15.3492","0.0002","16.4061","0.0002","67.954","0.001","89.197","0.001","74.802","0.001","2835.47","0.07","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H82.5 Al O4 P -","- C63 H82.5 Al O4 P -","- C126 H165 Al2 O8 P2 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0351","0.0343","","","0.0904","0.0909","","","","","","1.023","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46",""
"1568889","9.374","0.002","8.2061","0.0018","10.172","0.002","90","","90.621","0.01","90","","782.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N4 O4 Zn -","- C12 H18 N4 O4 Zn -","- C24 H36 N8 O8 Zn2 -","2","1","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions","Catalysis Science & Technology","2023","13","11","3344","3350","10.1039/D3CY00401E","","","1.54178","CuKα","","0.0362","0.0346","","","0.0951","0.1005","","","","","","1.238","","","","has coordinates","284828","2023-07-05","08:26:03",""
"1568890","9.5447","0.0003","10.6072","0.0003","14.7411","0.0005","91.735","0.003","97.167","0.003","101.208","0.003","1450.24","0.08","232.99","0.1","232.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Li N2 O -","- C12 H25 Li N2 O -","- C48 H100 Li4 N8 O4 -","4","2","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO<sub>2</sub> hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.074","0.0663","","","0.2008","0.2093","","","","","","1.065","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568891","10.7527","0.0004","10.0218","0.0003","30.3983","0.0011","90","","90","","90","","3275.8","0.2","230","0.1","230","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 Rh -","- C16 H29 N2 Rh -","- C128 H232 N16 Rh8 -","8","1","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO<sub>2</sub> hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.0384","0.0364","","","0.1018","0.1038","","","","","","1.043","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568892","10.4362","0.0004","22.443","0.0008","18.2762","0.0007","90","","90","","90","","4280.6","0.3","230","0.1","230","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36.5 H31 Cl3 F6 N2 O9 S2 -","- C35.8285 H30.172 Cl1.657 F6 N2 O9 S2 -","- C143.314 H120.688 Cl6.628 F24 N8 O36 S8 -","4","1","","Pham, Quoc Hoang; Tague, Andrew J.; Richardson, Christopher; Gardiner, Michael G.; Pyne, Stephen G.; Hyland, Christopher J. T.","Palladium-catalysed enantio- and regioselective (3 + 2) cycloaddition reactions of sulfamidate imine-derived 1-azadienes towards spirocyclic cyclopentanes.","Chemical science","2023","14","18","4893","4900","10.1039/d3sc01510f","","x-ray","0.71073","MoKα","","0.0876","0.0636","","","0.1717","0.1937","","","","","","1.032","","","","has coordinates,has disorder","284232","2023-06-05","04:06:37",""
"1568893","8.6488","0.0007","5.6835","0.0004","17.6333","0.0014","90","","91.157","0.006","90","","866.6","0.12","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-imine","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0757","0.0553","","","0.1311","0.1454","","","","","","1.06","","","","has coordinates","283143","2023-05-05","00:44:38",""
"1568894","5.8251","0.0002","8.9229","0.0003","26.3669","0.0009","90","","90","","90","","1370.47","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-imine","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0298","0.0289","","","0.0687","0.0691","","","","","","1.105","","","","has coordinates","283143","2023-05-05","00:44:48",""
"1568895","12.3374","0.0003","6.0658","0.0002","12.5814","0.0004","90","","100.849","0.007","90","","924.72","0.05","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-aminonitrile","","","- C25 H20 N2 -","- C25 H20 N2 -","- C50 H40 N4 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0486","0.0364","","","0.0751","0.0786","","","","","","1.01","","","","has coordinates","283143","2023-05-05","00:44:52",""
"1568896","6.9356","0.0002","8.626","0.0003","25.4183","0.0008","90","","90","","90","","1520.69","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-aminonitrile","","","- C18.9 H15.9 N2 O -","- C18.898 H15.898 N2 O -","- C75.592 H63.592 N8 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.04","0.0387","","","0.0965","0.0974","","","","","","1.061","","","","has coordinates,has disorder","283143","2023-05-05","00:44:53",""
"1568897","12.5347","0.0016","13.5209","0.0017","13.0674","0.0017","90","","93.446","0.003","90","","2210.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Au Cl N2 -","- C19 H36 Au Cl N2 -","- C76 H144 Au4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","1.54178","CuKα","","0.0207","0.0205","","","0.0484","0.0485","","","","","","1.212","","","","has coordinates","284217","2023-06-05","03:58:51",""
"1568898","12.6916","0.0006","13.503","0.0007","13.0909","0.0006","90","","95.351","0.004","90","","2233.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Cl Cu N2 -","- C19 H36 Cl Cu N2 -","- C76 H144 Cl4 Cu4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.1333","0.0458","","","0.0884","0.1057","","","","","","0.824","","","","has coordinates","284217","2023-06-05","03:58:56",""
"1568899","12.9804","0.0003","13.4131","0.0003","13.1899","0.0003","90","","90.467","0.002","90","","2296.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Ag Cl N2 -","- C19 H36 Ag Cl N2 -","- C76 H144 Ag4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0419","0.0275","","","0.0676","0.071","","","","","","0.985","","","","has coordinates","284217","2023-06-05","03:59:09",""
"1568900","12.694","0.0003","14.2272","0.0003","15.3472","0.0004","90","","90","","90","","2771.71","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Cl3 N3 Pd -","- C24 H40 Cl3 N3 Pd -","- C96 H160 Cl12 N12 Pd4 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0237","0.0185","","","0.038","0.0389","","","","","","0.94","","","","has coordinates","284217","2023-06-05","03:59:11",""
"1568901","32.8739","0.001","10.3807","0.0003","12.109","0.0003","90","","90","","90","","4132.2","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H36 N2 Se -","- C19 H36 N2 Se -","- C152 H288 N16 Se8 -","8","2","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0783","0.0386","","","0.0792","0.0844","","","","","","0.839","","","","has coordinates","284217","2023-06-05","03:59:15",""
"1568902","9.4218","0.0005","12.996","0.0006","14.5646","0.0008","90.383","0.002","100.408","0.002","98.456","0.002","1733.95","0.16","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N2 O -","- C46 H40 N2 O -","- C92 H80 N4 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters <i>via</i> a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0988","0.0522","","","0.1229","0.1414","","","","","","1.022","","","","has coordinates","284210","2023-06-05","03:54:58",""
"1568903","8.8902","0.0014","12.895","0.002","14.568","0.002","67.108","0.005","72.348","0.006","76.144","0.006","1452","0.4","220","2","220","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N O -","- C41 H31 N O -","- C82 H62 N2 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters <i>via</i> a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0917","0.0516","","","0.1125","0.1307","","","","","","1.019","","","","has coordinates","284210","2023-06-05","03:54:58",""
"1568904","22.713","0.003","10.751","0.0012","16.371","0.002","90","","133.633","0.007","90","","2893.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines <i>via</i> carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.0541","0.0447","","","0.1487","0.1572","","","","","","1.301","","","","has coordinates","284905","2023-07-05","09:48:26",""
"1568905","13.4772","0.001","8.9459","0.0007","15.8469","0.0009","90","","94.187","0.002","90","","1905.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines <i>via</i> carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.1011","0.0623","","","0.1328","0.1557","","","","","","1.134","","","","has coordinates","284905","2023-07-05","09:48:27",""
"1568906","11.153","0.003","9.171","0.003","18.019","0.006","90","","90","","90","","1843.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.056","0.0449","","","0.1027","0.1086","","","","","","1.007","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568907","11.2274","0.0013","9.2607","0.0012","18.166","0.002","90","","90","","90","","1888.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1081","0.0581","","","0.1381","0.1653","","","","","","1.038","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568908","17.887","0.003","8.7802","0.0012","12.944","0.002","90","","108.215","0.005","90","","1931","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 N6 O4 -","- C15 H26 N6 O4 -","- C60 H104 N24 O16 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.0789","0.05","","","0.1228","0.1414","","","","","","1.029","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568909","17.885","0.005","18.47","0.005","10.697","0.003","90","","90","","90","","3533.6","1.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.2678","0.1183","","","0.3016","0.4135","","","","","","1.144","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568910","18.146","0.004","10.719","0.002","18.54","0.004","90","","94.9","0.03","90","","3593","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","2","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1039","0.0525","","","0.1133","0.1385","","","","","","1.032","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568911","9.941","0.003","14.577","0.005","18.928","0.006","88.09","0.007","77.833","0.007","74.266","0.006","2580","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H39 N7 O14.5 Y2 -","- C54 H37 N7 O15 Y2 -","- C108 H74 N14 O30 Y4 -","2","1","","Wang, Xinrui; Clavier, Gilles; Zhang, Yan; Batra, Kamal; Xiao, Nanan; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","A MOF/DNA luminescent sensing platform for detection of potential COVID-19 biomarkers and drugs.","Chemical science","2023","14","20","5386","5395","10.1039/d3sc00106g","","","0.71073","MoKα","","0.0872","0.0576","","","0.1526","0.1655","","","","","","1.047","","","","has coordinates,has disorder","284228","2023-06-05","04:03:57",""
"1568912","10.55","0.0009","10.051","0.0008","12.1412","0.001","90","","109.66","0.004","90","","1212.38","0.18","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 Fe N4 O2 -","- C29 H24 Fe N4 O2 -","- C58 H48 Fe2 N8 O4 -","2","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral <i>N</i>-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.0399","0.0299","","","0.0688","0.0706","","","","","","1.011","","","","has coordinates","284213","2023-06-05","03:55:58",""
"1568913","8.2557","0.0005","14.5568","0.0009","21.8087","0.0012","90","","90","","90","","2620.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C124 H104 N16 O12 S4 -","4","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral <i>N</i>-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.04","0.035","","","0.0842","0.0878","","","","","","1.104","","","","has coordinates","284213","2023-06-05","03:56:04",""
"1568914","15.3021","0.0005","14.6862","0.0004","29.0678","0.0009","90","","98.666","0.003","90","","6457.8","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1169","0.0768","","","0.1723","0.1841","","","","","","1.163","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568915","14.2291","0.0004","9.2419","0.0003","26.5165","0.0007","90","","96.382","0.003","90","","3465.41","0.18","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1517","0.0627","","","0.1736","0.2132","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568916","14.187","0.0004","9.2501","0.0003","26.1208","0.0007","90","","95.646","0.002","90","","3411.23","0.17","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1273","0.0642","","","0.1206","0.1394","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568917","14.226","0.0006","9.2521","0.0005","26.4803","0.001","90","","96.315","0.004","90","","3464.2","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1203","0.0561","","","0.1578","0.1897","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568918","15.3539","0.0004","14.7515","0.0003","29.2022","0.0008","90","","98.737","0.002","90","","6537.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1336","0.0782","","","0.1829","0.1998","","","","","","1.131","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568919","14.2236","0.0006","9.2423","0.0004","26.4876","0.0009","90","","96.355","0.004","90","","3460.6","0.2","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1248","0.0569","","","0.1587","0.194","","","","","","1.013","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568920","14.2313","0.0006","9.2571","0.0005","26.487","0.0009","90","","96.271","0.004","90","","3468.5","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1168","0.0545","","","0.1558","0.1863","","","","","","1.015","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568921","11.2185","0.0002","10.2204","0.0002","13.5244","0.0002","90","","106.427","0.001","90","","1487.38","0.05","116","","116","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H31 K O14 -","- C32 H31 K O14 -","- C64 H62 K2 O28 -","2","0.5","LQ5051","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0564","0.0537","","","0.1577","0.1613","","","","","","1.071","","","","has coordinates","282789","2023-04-21","01:46:24",""
"1568922","19.4072","0.0008","20.4384","0.0008","17.3645","0.0011","90","","104.006","0.005","90","","6682.9","0.6","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 K O13 -","- C34 H33 K O13 -","- C272 H264 K8 O104 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.1026","0.0798","","","0.1886","0.205","","","","","","1.025","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568923","19.6211","0.0003","20.3628","0.0003","17.2684","0.0003","90","","104.282","0.001","90","","6686.19","0.19","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 K O13 -","- C33 H31 K O13 -","- C264 H248 K8 O104 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0564","0.0554","","","0.1437","0.1465","","","","","","1.131","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568924","13.9343","0.0003","7.8657","0.0002","31.4425","0.0007","90","","90","","90","","3446.19","0.14","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 K O9 -","- C16 H19 K O9 -","- C128 H152 K8 O72 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0475","0.0454","","","0.1151","0.1165","","","","","","1.08","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568925","10.7741","0.0006","9.6357","0.0006","13.8452","0.0009","90","","107.103","0.002","90","","1373.79","0.15","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H13.5 Na0.5 O6 -","- C16 H13.5 Na0.5 O6 -","- C64 H54 Na2 O24 -","4","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.0573","0.0425","","","0.1103","0.1168","","","","","","1.074","","","","has coordinates","282789","2023-04-21","01:46:25",""
"1568926","10.8865","0.0005","10.9884","0.0006","16.1451","0.0008","81.871","0.004","74.681","0.005","68.049","0.005","1725.73","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Na O14 -","- C36 H39 Na O14 -","- C72 H78 Na2 O28 -","2","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.0845","0.0607","","","0.143","0.1648","","","","","","1.047","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568927","11.0666","0.0004","13.2714","0.0004","10.0412","0.0003","90","","94.43","0.001","90","","1470.34","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Na O7 -","- C16 H15 Na O7 -","- C64 H60 Na4 O28 -","4","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.062","0.0475","","","0.1158","0.1244","","","","","","1.043","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1568928","36.6848","0.0004","36.6848","0.0004","36.6848","0.0004","90","","90","","90","","49369.5","0.9","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C94 H100 Al8 N24 O38 -","- C94 H108 Al8 N24 O36 -","- C1128 H1296 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.07","0.0589","","","0.1402","0.1468","","","","","","1.051","","","","has coordinates,has disorder","284230","2023-06-05","04:04:45",""
"1568929","23.0719","0.0003","23.0719","0.0003","14.7983","0.0004","90","","90","","90","","7877.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H80 Al8 N32 O40 -","- C96 H88 Al8 N32 O40 -","- C192 H176 Al16 N64 O80 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.0842","0.0707","","","0.2046","0.2193","","","","","","0.988","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568930","22.85","0.0003","22.85","0.0003","14.9095","0.0004","90","","90","","90","","7784.6","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C124 H100 Al8 N32 O44 -","- C124 H108 Al8 N32 O44 -","- C248 H216 Al16 N64 O88 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.1055","0.0967","","","0.267","0.2804","","","","","","1.21","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568931","36.617","0.0003","36.617","0.0003","36.617","0.0003","90","","90","","90","","49096.2","0.7","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C88 H88 Al8 N24 O36 -","- C88 H96 Al8 N24 O36 -","- C1056 H1152 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1355","0.1392","","","","","","1.009","","","","has coordinates,has disorder","284230","2023-06-05","04:04:46",""
"1568932","27.159","0.0012","21.1739","0.0009","23.6358","0.001","90","","95.848","0.004","90","","13521.3","1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H76 Li14 Na O148 P5 W30 -","- Na O125.6 P5 W30 -","- Na4 O502.4 P20 W120 -","4","0.5","","Zhao, Tingting; Bell, Nicola L.; Chisholm, Greig; Kandasamy, Balamurugan; Long, De-Liang; Cronin, Leroy","Aqueous solutions of super reduced polyoxotungstates as electron storage systems.","Energy & environmental science","2023","16","6","2603","2610","10.1039/d3ee00569k","","","0.71073","MoKα","","0.0908","0.0809","","","0.2189","0.2268","","","","","","1.063","","","","has coordinates","284925","2023-07-05","10:21:54",""
"1568933","19.2935","0.0007","4.6933","0.0002","18.7498","0.0007","90","","116.106","0.002","90","","1524.59","0.11","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methyl-2-oxoquinoxalin-1-yl)-<i>N</i>-(4-methylphenyl)acetamide","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","VM4060","Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide","IUCrData","2023","8","4","","","10.1107/S2414314623003577","","","1.54178","CuKα","","0.0706","0.057","","","0.1475","0.1577","","","","","","1.041","","","","has coordinates,has disorder","282799","2023-04-22","01:43:05",""
"1568934","17.8815","0.0013","12.5896","0.001","20.3917","0.0016","90","","112.01","0.0016","90","","4256","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-2,2'-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[<i>c</i>]pyrrol-5-one]}bis[tricarbonyliron(0)]","","- C34 H48 Fe2 N2 O8 Si4 -","- C34 H48 Fe2 N2 O8 Si4 -","- C136 H192 Fe8 N8 O32 Si16 -","4","1","BH4073","Huerta-Zerón, Hilario D.; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","{μ-2,2′-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]","IUCrData","2023","8","4","","","10.1107/S2414314623003462","","","0.71073","MoKα","","0.07","0.038","","","0.083","0.0962","","","","","","1.001","","","","has coordinates","282800","2023-04-22","01:43:29",""
"1568935","6.3829","0.0007","12.6897","0.0008","15.9539","0.0017","90","","101.308","0.008","90","","1267.1","0.2","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(23<i>R</i>,23^1^<i>S</i>,25<i>S</i>)-23^1^,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","","- C29 H46 O3 -","- C29 H46 O3 -","- C58 H92 O6 -","2","1","BT4138","Guerrero-Luna, Gabriel; Hernández-Linares, María-Guadalupe; Cárdenas García, Maura; Bernès, Sylvain","(23R,231 S,25S)-231,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","IUCrData","2023","8","4","","","10.1107/S2414314623003449","","x-ray","0.56083","AgKα","","0.1039","0.0425","","","0.0656","0.0769","","","","","","0.702","","","","has coordinates","282801","2023-04-22","01:43:50",""
"1568936","10.0432","0.0005","12.7045","0.0006","14.3846","0.0007","81.305","0.004","84.313","0.004","82.068","0.004","1791.19","0.15","153","2","153","","","","","","","","","4","P -1","-P 1","2","","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","","- C12 H24 B N -","- C12 H24 B N -","- C72 H144 B6 N6 -","6","3","IM4018","Herbig, Marcus; Böhme, Uwe","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","IUCrData","2023","8","4","","","10.1107/S2414314623003322","","","0.71073","MoKα","","0.0572","0.0432","","","0.1035","0.1153","","","","","","1.043","","","","has coordinates,has disorder","282802","2023-04-22","01:44:15",""
"1568937","16.1752","0.0002","8.3402","0.0001","16.1713","0.0002","90","","112.533","0.001","90","","2015.04","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Mo N4 O4 -","- C18 H24 Mo N4 O4 -","- C72 H96 Mo4 N16 O16 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.0243","0.0238","","","0.0636","0.064","","","","","","1.054","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568938","29.705","0.006","9.751","0.002","14.098","0.003","90","","105.68","0.03","90","","3931.6","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mo N4 O4 -","- C18 H20 Mo N4 O4 -","- C144 H160 Mo8 N32 O32 -","8","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0297","0.028","","","0.072","0.073","","","","","","1.117","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568939","12.6201","0.0003","23.4471","0.0005","14.4084","0.0003","90","","96.396","0.002","90","","4236.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C89 H108 Mg2 Mo N4 O10 -","- C89 H108 Mg2 Mo N4 O10 -","- C178 H216 Mg4 Mo2 N8 O20 -","2","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0376","0.0321","","","0.0809","0.0839","","","","","","1.029","","","","has coordinates,has disorder","284219","2023-06-05","04:00:21",""
"1568940","12.5268","0.0003","15.3082","0.0004","17.5288","0.0004","83.714","0.002","89.854","0.002","65.992","0.003","3048.85","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.1008","0.0792","","","0.1998","0.2118","","","","","","1.121","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568941","12.471","0.003","23.565","0.005","29.107","0.006","90","","91.73","0.03","90","","8550","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Mg2 Mo N6 O9 -","- C88 H108 Mg2 Mo N6 O9 -","- C352 H432 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0426","0.0388","","","0.108","0.1113","","","","","","1.029","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568942","12.18","0.002","17.74","0.004","19.44","0.004","87.54","0.03","87.79","0.03","87.49","0.03","4189.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0513","0.0437","","","0.1115","0.1182","","","","","","1.046","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568943","13.04","0.003","48.66","0.01","13.39","0.003","90","","113.04","0.03","90","","7819","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H102 Mg2 Mo N6 O9 -","- C81 H102 Mg2 Mo N6 O9 -","- C324 H408 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0625","0.0451","","","0.1157","0.1256","","","","","","1.033","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568944","10.152","0.0001","12.5705","0.0002","23.1569","0.0003","102.344","0.001","99.85","0.001","97.607","0.001","2800.15","0.07","100","0.12","100","0.12","","","","","","","","8","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 O Os P3 -","- C64 H54 B Cl4 F4 O Os P3 -","- C128 H108 B2 Cl8 F8 O2 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1463","0.1489","","","","","","1.06","","","","has coordinates,has disorder","284244","2023-06-05","04:11:36",""
"1568945","10.1361","0.0002","12.2229","0.0002","22.8285","0.0004","93.994","0.001","94.966","0.002","95.826","0.002","2794.32","0.09","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 Os P3 -","- C64 H54 B Cl4 F4 Os P3 -","- C128 H108 B2 Cl8 F8 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0462","0.0434","","","0.1082","0.1097","","","","","","1.048","","","","has coordinates,has disorder","284244","2023-06-05","04:11:37",""
"1568946","12.7074","0.0001","15.8642","0.0001","19.7026","0.0001","108.227","0.001","96.231","0.001","98.117","0.001","3685.24","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H72 Cl8 O2 Os P4 -","- C83 H72 Cl8 O2 Os P4 -","- C166 H144 Cl16 O4 Os2 P8 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","0.71073","MoKα","","0.0315","0.0267","","","0.0629","0.0642","","","","","","1.064","","","","has coordinates","284244","2023-06-05","04:11:37",""
"1568947","10.9449","0.0002","13.156","0.0005","14.6317","0.0006","77.386","0.003","82.198","0.003","89.881","0.002","2036.12","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 I N O3 S -","- C21 H22 I N O3 S -","- C84 H88 I4 N4 O12 S4 -","4","2","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0819","0.0655","","","0.1814","0.1963","","","","","","1.059","","","","has coordinates","284222","2023-06-05","04:01:43",""
"1568948","10.3499","0.0002","11.4812","0.0002","11.8168","0.0002","83.79","0.002","76.551","0.002","65.058","0.002","1238.22","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O5 S -","- C27 H25 I N2 O5 S -","- C54 H50 I2 N4 O10 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.08","0.0807","","","","","","1.14","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43",""
"1568949","10.0403","0.0003","10.7542","0.0003","13.6818","0.0002","82.958","0.002","72.346","0.002","62.821","0.003","1252.07","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 I N O3 S -","- C27 H32 I N O3 S -","- C54 H64 I2 N2 O6 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0294","0.0288","","","0.0727","0.0732","","","","","","1.092","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43",""
"1568950","11.82272","0.00018","8.08217","0.0001","14.6182","0.0002","90","","111.144","0.0018","90","","1302.78","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0419","0.0401","","","0.1035","0.1052","","","","","","1.084","","","","has coordinates","284216","2023-06-05","03:58:15",""
"1568951","16.0584","0.0002","6.13979","0.00007","13.79498","0.00019","90","","107.514","0.0015","90","","1297.07","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0402","0.0376","","","0.0987","0.1011","","","","","","1.078","","","","has coordinates","284216","2023-06-05","03:58:22",""
"1568952","13.68696","0.00011","6.65657","0.00006","15.4851","0.00013","90","","101.535","0.0008","90","","1382.32","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0283","0.0278","","","0.0715","0.0719","","","","","","1.126","","","","has coordinates","284216","2023-06-05","03:58:24",""
"1568953","8.88043","0.00012","10.96832","0.00016","14.65499","0.00019","90","","101.387","0.0013","90","","1399.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0236","0.0227","","","0.0575","0.058","","","","","","1.062","","","","has coordinates","284216","2023-06-05","03:58:25",""
"1568954","14.04898","0.00014","6.21142","0.00006","15.50317","0.00018","90","","106.125","0.0012","90","","1299.65","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.039","0.0379","","","0.0959","0.0967","","","","","","1.088","","","","has coordinates","284216","2023-06-05","03:58:25",""
"1568955","6.79993","0.00004","15.8969","0.00008","18.74294","0.0001","90","","90","","90","","2026.07","0.019","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0812","0.0817","","","","","","1.046","","","","has coordinates","284224","2023-06-05","04:02:39",""
"1568956","10.764","0.0004","15.5751","0.0005","29.2364","0.0008","90","","90","","90","","4901.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 F6 N2 O4 -","- C62 H48 F6 N2 O4 -","- C248 H192 F24 N8 O16 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1159","0.1239","","","","","","1.109","","","","has coordinates,has disorder","284224","2023-06-05","04:02:50",""
"1568957","7.373","0.003","12.555","0.004","12.999","0.005","90","","95.859","0.012","90","","1197","0.8","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C11 H24 Cu10 I8 N4 O4.33 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","1","0.25","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.0968","0.0685","","","0.1756","0.2021","","","","","","1.045","","","","has coordinates","284242","2023-06-05","04:10:26",""
"1568958","7.155","0.007","7.155","0.007","12.562","0.018","92.42","0.03","92.42","0.03","118.1","","565.4","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C5 H8 Cu5 I4 N O3 S2 -","2","1","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.2766","0.1417","","","0.3482","0.4197","","","","","","1.14","","","","has coordinates,has disorder","284242","2023-06-05","04:10:27",""
"1568959","10.7293","0.0006","11.8938","0.0008","12.7361","0.0008","112.102","0.006","97.669","0.005","93.798","0.005","1480.33","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","1","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0859","0.0547","","","0.1344","0.1567","","","","","","1.025","","","","has coordinates","284229","2023-06-05","04:04:09",""
"1568960","10.631","0.0001","19.74","0.0002","18.5098","0.0002","90","","90.019","0.001","90","","3884.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H110 Cl6 N4 O25 V6 -","- C56 H110 Cl6 N4 O25 V6 -","- C112 H220 Cl12 N8 O50 V12 -","2","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0558","0.0418","","","0.0933","0.1057","","","","","","1.095","","","","has coordinates","284229","2023-06-05","04:04:09",""
"1568961","16.1374","0.0005","10.0281","0.0003","20.5528","0.0005","90","","112.651","0.0017","90","","3069.46","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","1","","Rivera, Edris; Paul, Indrajit; Fajardo, Jr, Javier; Garcia-Garibay, Miguel A","Quantum chain amplification in nanocrystalline Dewar benzenes by intramolecular sensitization.","Chemical science","2023","14","21","5802","5810","10.1039/d3sc01074k","","","1.54178","CuKα","","0.0797","0.0686","","","0.1538","0.1586","","","","","","1.137","","","","has coordinates,has disorder","284241","2023-06-05","04:10:18",""
"1568962","6.8379","0.0003","16.3952","0.0005","22.7541","0.0008","90","","90","","90","","2550.93","0.16","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O5 S -","- C31 H23 N O5 S -","- C124 H92 N4 O20 S4 -","4","1","","Liu, Li-Xia; Bai, Yu-Qing; Li, Xiang; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric allenylic alkylation: construction of multiple chiral thiochromanone derivatives.","Chemical science","2023","14","20","5477","5482","10.1039/d3sc01060k","","","0.71073","MoKα","","0.0415","0.0366","","","0.0887","0.0925","","","","","","1.025","","","","has coordinates","284221","2023-06-05","04:01:29",""
"1568963","33.855","0.002","8.1449","0.0005","17.6248","0.001","90","","96.65","0.005","90","","4827.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Cl0.12 N2 O0.12 S2 -","- C29 H26 N2 S2 -","- C232 H208 N16 S16 -","8","2","","Hu, Yang; Zhang, Lihui; Wang, Zhuang; Hu, Rongrong; Tang, Ben Zhong","Economical synthesis of functional aromatic polythioamides from KOH-assisted multicomponent polymerizations of sulfur, aromatic diamines and dialdehydes","Polymer Chemistry","2023","14","21","2617","2623","10.1039/D2PY01560A","","x-ray","1.54184","CuKα","","0.2085","0.1658","","","0.3803","0.4115","","","","","","1.376","","","","has coordinates","284981","2023-07-05","11:04:42",""
"1568964","8.3546","0.0004","12.4468","0.0005","15.4504","0.0006","85.54","0.002","79.66","0.002","76.997","0.002","1538.86","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","Bis{μ-1,1'-(<i>o</i>-xylylene)bis[4-(pyridin-2-yl)triazole]-κ<i>N</i>^3^:<i>N</i>^3'^}dipalladium(II) tetrakis(tetrafluoridoborate)–dimethylformamide–diethyl ether (1/2/1)","","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","1","0.5","","Pokharel, Uttam; Naquin, Aaron; Fronczek, Frank","Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole)","IUCrData","2023","8","4","","","10.1107/S2414314623003620","","","1.54184","CuKα","","0.0326","0.0289","","","0.0738","0.0759","","","","","","1.03","","","","has coordinates,has disorder","282851","2023-04-26","02:02:03",""
"1568965","9.5178","0.0017","10.1995","0.0019","14.589","0.002","81.516","0.006","83.142","0.006","72.351","0.007","1330.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","","- C32 H25 As N O3 Rh -","- C32 H25 As N O3 Rh -","- C64 H50 As2 N2 O6 Rh2 -","2","1","WM4184","Motente, Mokete A.; Venter, Johan; Brink, Alice","(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","IUCrData","2023","8","4","","","10.1107/S2414314623003553","","","0.71073","MoKα","","0.0355","0.0299","","","0.0707","0.0739","","","","","","1.067","","","","has coordinates","282852","2023-04-26","02:02:44",""
"1568966","35.08","0.0007","36.9265","0.0007","34.8114","0.0006","90","","90","","90","","45094","1.5","100","2","100.15","","","","","","","","","5","C c m e","-C 2ac 2ac","64","","","","- Cs10 Fe30 Mo84 O382 P -","- Cs10 Fe30 Mo83.9992 O382 P -","- Cs40 Fe120 Mo335.997 O1528 P4 -","4","0.25","","Tamai, Nanako; Ogiwara, Naoki; Hayashi, Eri; Kamata, Keigo; Misawa, Toshiyuki; Ito, Takeru; Kojima, Tatsuhiro; Segado, Mireia; Petrus, Enric; Bo, Carles; Uchida, Sayaka","A redox-active inorganic crown ether based on a polyoxometalate capsule.","Chemical science","2023","14","20","5453","5459","10.1039/d3sc01077e","","","0.4132","synchrotron","","0.0905","0.0701","","","0.1797","0.1939","","","","","","1.021","","","","has coordinates,has disorder","284226","2023-06-05","04:03:28",""
"1568967","20.883","0.0007","27.5133","0.0009","33.7675","0.0011","90","","97.309","0.002","90","","19243.8","1.1","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C1158 H672 -","- C1158 H672 -","- C1158 H672 -","1","0.25","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.34138","GaKα","","0.1055","0.0904","","","0.263","0.279","","","","","","1.039","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568968","15.9267","0.0003","20.9291","0.0004","22.0491","0.0005","90.828","0.002","108.688","0.002","93.047","0.002","6948.5","0.3","100","0.1","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C176 H107 Cl2 -","- C176 H107 Cl2 -","- C352 H214 Cl4 -","2","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1311","0.1178","","","0.341","0.3518","","","","","","1.028","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568969","20.6555","0.0002","38.6556","0.0005","25.2345","0.0003","90","","105.331","0.001","90","","19431.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C315 H110 -","- C315 H110 -","- C1260 H440 -","4","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1629","0.1416","","","0.4175","0.4408","","","","","","1.063","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568970","9.5099","0.0002","18.1304","0.0003","14.0225","0.0002","90","","105.611","0.002","90","","2328.55","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-allyl (2-benzhydryl-5-chloro-1-(2-oxooxazolidin-3-yl)pent-1-en-1-yl) carbonate","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C100 H104 Cl4 N4 O20 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","x-ray","1.54184","CuKα","","0.0393","0.0363","","","0.0899","0.0918","","","","","","1.057","","","","has coordinates","284246","2023-06-05","04:13:34",""
"1568971","9.783","0.0018","10.941","0.002","22.744","0.004","90","","90","","90","","2434.4","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(2-oxooxazolidin-3-yl)-2,3,3-triphenylprop-1-en-1-yl 4-fluorobenzoate","","- C31 H24 F N O4 -","- C31 H24 F N O4 -","- C124 H96 F4 N4 O16 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","","0.71073","MoKα","","0.092","0.0714","","","0.1716","0.198","","","","","","1.082","","","","has coordinates","284246","2023-06-05","04:13:35",""
"1568972","10.1202","0.0005","16.297","0.0008","10.7828","0.0005","90","","107.539","0.002","90","","1695.72","0.14","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H45 B Cl5 Ga N2 -","- C29 H45 B Cl5 Ga N2 -","- C58 H90 B2 Cl10 Ga2 N4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0476","0.0394","","","0.0932","0.0989","","","","","","1.028","","","","has coordinates","284892","2023-07-05","09:41:59",""
"1568973","10.6403","0.0013","16.18","0.002","10.8244","0.0012","90","","111.793","0.004","90","","1730.3","0.4","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H43 B Cl5 Ga N2 O2 -","- C29 H43 B Cl5 Ga N2 O2 -","- C58 H86 B2 Cl10 Ga2 N4 O4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0738","0.0711","","","0.1884","0.1899","","","","","","1.128","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1568974","10.613","0.004","11.052","0.004","18.616","0.007","76.655","0.013","88.743","0.012","66.846","0.013","1947.7","1.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H41 B Cl6 Ga2 N2 O -","- C28 H41 B Cl6 Ga2 N2 O -","- C56 H82 B2 Cl12 Ga4 N4 O2 -","2","1","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0741","0.053","","","0.1313","0.1423","","","","","","1.038","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1568975","11.2116","0.0009","17.2969","0.0013","19.8432","0.0015","64.903","0.002","89.935","0.002","74.563","0.002","3331.4","0.5","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H80 N6 O16 Ru4 -","- C64 H80 N6 O16 Ru4 -","- C128 H160 N12 O32 Ru8 -","2","1","","Cosio, Mario N.; Alharbi, Waad S.; Sur, Aishanee; Wang, Chen-Hao; Najafian, Ahmad; Cundari, Thomas R.; Powers, David C.","On the mechanism of intermolecular nitrogen-atom transfer from a lattice-isolated diruthenium nitride intermediate.","Faraday discussions","2023","244","0","154","168","10.1039/d2fd00167e","","","0.71073","MoKα","","0.1035","0.0842","","","0.1766","0.185","","","","","","1.25","","","","has coordinates","286133","2023-09-05","19:54:49",""
"1568976","22.0822","0.0004","22.0822","0.0004","6.1544","0.0002","90","","90","","120","","2598.97","0.11","293","2","293","2","","","","","","","","7","P 63 m c","P 6c -2c","186","Rb3K6Li2Mn4Ga12S27Cl1","","","- Cl Ga12 K6 Li2 Mn4 Rb3 S27 -","- Cl Ga12 K6 Li2.0001 Mn3.9999 Rb3 S27 -","- Cl2 Ga24 K12 Li4.0002 Mn7.9998 Rb6 S54 -","2","0.166667","","Pei, Shao-Min; Liu, Bin-Wen; Chen, Wen-Fa; Jiang, Xiao-Ming; Guo, Guo-Cong","Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a ""pore reconstruction"" strategy in a salt-inclusion chalcogenide.","Materials horizons","2023","10","8","2921","2926","10.1039/d3mh00389b","","","0.71073","MoKα","","0.0617","0.0573","","","0.1829","0.1883","","","","","","1.064","","","","has coordinates","285538","2023-08-05","09:39:00",""
"1568978","13.745","0.004","17.557","0.005","25.813","0.01","90","","90","","90","","6229","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 Bi3 F9 N4 O17 S3 -","- C52 H50 Bi3 F9 N4 O17 S3 -","- C208 H200 Bi12 F36 N16 O68 S12 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0263","0.0231","","","0.0541","0.0552","","","","","","1.028","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568979","17.7035","0.0014","24.613","0.002","14.9608","0.0012","90","","90","","90","","6519","0.9","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H27 Bi F3 N O6 S3 -","- C22 H27 Bi F3 N O6 S3 -","- C176 H216 Bi8 F24 N8 O48 S24 -","8","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0304","0.0218","","","0.0522","0.0558","","","","","","1.053","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568980","10.16","0.006","18.258","0.013","14.044","0.008","90","","109.56","0.03","90","","2455","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Bi F3 N O5 S -","- C23 H29 Bi F3 N O5 S -","- C92 H116 Bi4 F12 N4 O20 S4 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.03","0.0262","","","0.0674","0.0698","","","","","","0.898","","","","has coordinates","284218","2023-06-05","03:59:31",""
"1568981","3.99152","0.00002","5.8223","0.00003","5.86394","0.00003","90","","90","","90","","136.277","0.0012","","","300","","","","100","","","","","3","A m m 2","A 2 -2","38","RbNbO3 orthorhombic perovskite","","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb2 O6 Rb2 -","2","0.25","","Fukuda, M.; Yamaura, K.","Experimental studies on crystal structures and phase transitions in perovskite-type RbNbO3 : At 300 K","Journal of the Ceramic Society of Japan","2023","131","","126","129","10.2109/jcersj2.23012","","","","","","","","","","","","","","","","","","","","","has coordinates","286635","2023-10-03","02:58:47",""
"1568982","4.00874","0.00002","4.00874","0.00002","4.3152","0.00002","90","","90","","90","","69.3452","0.0006","","","540","","","","100","","","","","3","P 4 m m","P 4 -2","99","RbNbO3 tetragonal perovskite","","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb O3 Rb -","1","0.125","","Fukuda, M.; Yamaura, K.","Experimental studies on crystal structures and phase transitions in perovskite-type RbNbO3 : At 540 K","Journal of the Ceramic Society of Japan","2023","131","","126","129","10.2109/jcersj2.23012","","","","","","","","","","","","","","","","","","","","","has coordinates","286636","2023-10-03","03:00:44",""
"1568983","3.8141","0.0003","15.617","0.006","2.9664","0.0006","90","","90","","90","","176.69","0.08","","","298","","","","100","","","","","4","C m c m","-C 2c 2","63","K0.75Li0.25Ti1.75O4","","","- K0.75 Li0.25 O4 Ti1.75 -","- K0.742 Li0.25 O4 Ti1.75 -","- K1.484 Li0.5 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : K0.75Li0.25Ti1.75O4","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282927","2023-05-01","09:32:53",""
"1568984","3.783","0.0003","14.578","0.005","2.9723","0.0003","90","","90","","90","","163.92","0.06","","","473","","","","100","","","","","4","C m c m","-C 2c 2","63","Na0.75Li0.25Ti1.75O4 at 200 C","","","- Li0.25 Na0.75 O4 Ti1.75 -","- Li0.25 Na0.672 O4 Ti1.75 -","- Li0.5 Na1.344 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4 at 200 C","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282928","2023-05-01","09:33:42",""
"1568985","2.984","0.0001","3.7997","0.00001","11.4992","0.0002","90","","90","","90","","130.381","0.005","","","298","","","","100","","","","","5","P m m 2","P 2 -2","25","Na0.75Li0.25Ti1.75O4 2H2O","","","- H2 Li0.25 Na0.75 O6 Ti1.75 -","- Li0.25 Na0.627 O6 Ti1.75 -","- Li0.25 Na0.627 O6 Ti1.75 -","1","0.25","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4-2H2O","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282929","2023-05-01","09:34:51",""
"1568986","9.9704","0.0008","21.4506","0.001","9.7628","0.0005","90","","100.735","0.006","90","","2051.4","0.2","152.95","0.1","152.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O S -","- C25 H24 N2 O S -","- C100 H96 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0789","0.0677","","","0.178","0.1891","","","","","","1.049","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568987","8.7409","0.0002","13.9118","0.0003","15.9596","0.0004","90","","89.742","0.002","90","","1940.69","0.08","154","4","154","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0557","0.053","","","0.1416","0.1445","","","","","","1.025","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568988","5.5494","0.0008","12.9584","0.0018","13.437","0.002","90","","95.222","0.013","90","","962.3","0.2","153","0.1","153","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.093","0.0816","","","0.2222","0.2346","","","","","","1.087","","","","has coordinates,has disorder","284248","2023-06-05","04:14:29",""
"1568989","7.1543","0.0002","11.4783","0.0004","23.2717","0.0009","90","","90","","90","","1911.05","0.11","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0535","0.0493","","","0.1307","0.1355","","","","","","1.065","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568990","15.6601","0.0002","7.171","0.0001","12.7203","0.0001","90","","96.163","0.001","90","","1420.22","0.03","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0842","0.085","","","","","","1.068","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568991","12.1913","0.0002","22.6255","0.0003","13.0947","0.0002","90","","97.309","0.001","90","","3582.62","0.09","153","0.1","153","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N2 O S -","- C23 H12 N2 O S -","- C184 H96 N16 O8 S8 -","8","2","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0513","0.0446","","","0.1111","0.1164","","","","","","1.02","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568992","8.5323","0.0005","9.6457","0.0006","13.8826","0.0008","90","","84.748","0.003","90","","1137.74","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Te -","- C8 H22 Br8 N2 Te -","- C16 H44 Br16 N4 Te2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","0.71073","MoKα","","0.0633","0.0604","","","0.1728","0.1754","","","","","","1.065","","","","has coordinates","284890","2023-07-05","09:39:27",""
"1568993","17.227","0.0002","9.6868","0.0001","14.0647","0.0002","90","","90","","90","","2347.04","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C32 H88 Br32 N8 Sn4 -","4","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0417","0.0406","","","0.1103","0.1121","","","","","","1.054","","","","has coordinates,has disorder","284890","2023-07-05","09:39:39",""
"1568994","8.7336","0.0008","9.84","0.0008","13.8013","0.001","90","","90","","90","","1186.06","0.17","325","","325","","","","","","","","","5","P m 21 n","P -2ab -2","31","","","","- C8 H22 Br8 N2 Te -","- C7.5 H22 Br8 N2 Te -","- C15 H44 Br16 N4 Te2 -","2","0.5","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.34138","GaKα","","0.115","0.0823","","","0.245","0.2933","","","","","","0.993","","","","has coordinates,has disorder","284890","2023-07-05","09:39:42",""
"1568995","8.7521","0.0007","9.7104","0.0006","14.0201","0.0011","90","","94.43","0.008","90","","1187.96","0.15","350","2","350","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C16 H44 Br16 N4 Sn2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0885","0.0796","","","0.2463","0.2553","","","","","","1.066","","","","has coordinates,has disorder","284890","2023-07-05","09:39:53",""
"1568996","17.9138","0.0006","6.1604","0.0002","15.2956","0.0006","90","","106.418","0.004","90","","1619.14","0.1","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0626","0.0562","","","0.1412","0.1477","","","","","","1.041","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568997","6.55997","0.00012","14.3262","0.0003","17.4645","0.0004","90","","90","","90","","1641.3","0.06","149.95","0.1","149.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.058","0.0541","","","0.1472","0.1513","","","","","","1.043","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568998","6.1934","0.0002","13.5942","0.0004","20.6761","0.0006","90","","90","","90","","1740.81","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0615","0.0519","","","0.1406","0.1477","","","","","","1.103","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568999","6.0277","0.0001","10.7851","0.0002","25.2404","0.0004","90","","90","","90","","1640.86","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0814","0.0792","","","0.1914","0.1933","","","","","","1.068","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569000","15.3362","0.0003","6.9513","0.00012","16.3195","0.0003","90","","101.082","0.0018","90","","1707.32","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0421","0.0401","","","0.1058","0.1075","","","","","","1.06","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569001","25.3714","0.0005","6.05801","0.0001","23.3168","0.0005","90","","112.787","0.002","90","","3304.09","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H52 O4 -","- C38 H52 O4 -","- C152 H208 O16 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0474","0.0446","","","0.1146","0.1169","","","","","","1.069","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569002","9.5123","0.0001","11.7533","0.0002","16.8232","0.0002","109.487","0.001","90.441","0.001","100.671","0.001","1737.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1","P 1","1","","","","- C76 H104 O12 -","- C76 H104 O12 -","- C76 H104 O12 -","1","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0592","0.0558","","","0.1413","0.144","","","","","","1.026","","","","has coordinates,has disorder","284243","2023-06-05","04:11:18",""
"1569003","13.6165","0.0006","25.2859","0.001","13.6152","0.0005","90","","90","","90","","4687.8","0.3","173","","173","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C96 H208 Cl24 Cu16 N32 O48 P24 -","8","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0319","0.0271","","","0.062","0.0645","","","","","","1.032","","","","has coordinates","284227","2023-06-05","04:03:48",""
"1569004","13.8592","0.0005","13.8592","0.0005","13.1579","0.0007","90","","90","","90","","2527.34","0.19","193","","193","","","","","","","","","7","P 4/m","-P 4","83","","","","- C12 H20 Cu2 I3 N4 O6 P3 -","- C12 H20 Cu2 I3 N4 O6 P3 -","- C48 H80 Cu8 I12 N16 O24 P12 -","4","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.138","0.1364","","","0.3418","0.3424","","","","","","1.122","","","","has coordinates,has disorder","284227","2023-06-05","04:03:48",""
"1569005","13.669","0.0006","13.669","0.0006","51.32","0.003","90","","90","","90","","9588.7","0.8","173","","173","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C192 H416 Br48 Cu32 N64 O96 P48 -","16","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0402","0.0323","","","0.0797","0.084","","","","","","1.077","","","","has coordinates","284227","2023-06-05","04:03:48",""
"1569006","31.6991","0.0018","18.5153","0.0009","15.1604","0.0008","90","","94.55","0.002","90","","8869.9","0.8","120","2","120.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H62 Cl2 Ge N3 -","- C47 H62 Cl2 Ge N3 -","- C376 H496 Cl16 Ge8 N24 -","8","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","0.71073","MoKα","","0.0535","0.0428","","","0.1101","0.1172","","","","","","1.0575","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569007","12.7334","0.0007","13.204","0.003","14.396","0.0006","98.596","0.005","101.664","0.003","96.759","0.006","2316.3","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H72 Ge N3 -","- C51 H72 Ge N3 -","- C102 H144 Ge2 N6 -","2","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34138","GaKα","","0.0398","0.0383","","","0.0995","0.1008","","","","","","1.054","","","","has coordinates","284245","2023-06-05","04:13:14",""
"1569008","14.4571","0.0007","42.796","0.002","15.4362","0.0009","90","","94.595","0.003","90","","9519.8","0.8","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108.28 H157.32 Li6 N6 -","- C94 H124 Li6 N6 -","- C376 H496 Li24 N24 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","GaKα","","0.0975","0.0639","","","0.1761","0.1958","","","","","","1.048","","","","has coordinates","284245","2023-06-05","04:13:14",""
"1569009","14.292","0.008","14.502","0.008","15.149","0.009","70.44","0.02","79.46","0.02","67.63","0.02","2730","3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C114 H168 Ge2 K2 N6 O2 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.054","0.0481","","","0.1435","0.1502","","","","","","1.0533","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569010","14.1535","","14.2181","","15.1396","","79.781","","70.505","","68.035","","2658.68","","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H154 Ge2 K2 N6 O2 S2 -","- C94 H124 Ge2 K2 N6 S2 -","- C94 H124 Ge2 K2 N6 S2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0706","0.0591","","","0.1839","0.2003","","","","","","1.0354","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569011","11.0177","0.0007","21.7711","0.0013","24.2953","0.0016","90","","92.991","0.003","90","","5819.7","0.6","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Ge K N3 O3 -","- C59 H86 Ge K N3 O3 -","- C236 H344 Ge4 K4 N12 O12 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0589","0.0492","","","0.1344","0.1407","","","","","","1.0263","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569012","13.0586","0.0002","18.1083","0.0003","18.9686","0.0002","81.401","0.001","80.919","0.001","74.937","0.001","4249.3","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Dy2 K N6 O9 -","- C84 H128 Dy2 K N6 O9 -","- C168 H256 Dy4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0561","0.0513","","","0.1308","0.1338","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:54",""
"1569013","15.59","0.0002","13.659","0.0001","15.5654","0.0002","90","","116.337","0.001","90","","2970.51","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 Gd2 N4 -","- C68 H84 Gd2 N4 -","- C136 H168 Gd4 N8 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0246","0.024","","","0.061","0.0613","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:58",""
"1569014","10.5529","0.0006","11.023","0.0006","12.4361","0.0007","67.772","0.001","87.537","0.001","79.199","0.001","1314.78","0.13","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","1","0.5","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0205","0.0194","","","0.0464","0.0475","","","","","","1.074","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569015","27.9083","0.0018","13.6251","0.0002","15.5343","0.001","90","","149.942","0.018","90","","2958.7","1.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 N4 Tb2 -","- C68 H84 N4 Tb2 -","- C136 H168 N8 Tb4 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0258","0.0251","","","0.0617","0.062","","","","","","1.1","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569016","13.0078","0.0001","18.0377","0.0002","18.9498","0.0002","81.515","0.001","81.572","0.001","74.853","0.001","4217.51","0.08","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Gd2 K N6 O9 -","- C84 H128 Gd2 K N6 O9 -","- C168 H256 Gd4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0483","0.0402","","","0.1003","0.1047","","","","","","1.063","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569017","12.9981","0.0001","18.0236","0.0002","18.9237","0.0002","81.646","0.001","81.526","0.001","74.92","0.001","4207.27","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 K N6 O9 Tb2 -","- C84 H127 K N6 O9 Tb2 -","- C168 H254 K2 N12 O18 Tb4 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0698","0.0575","","","0.1417","0.1584","","","","","","1.117","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569018","16.0358","0.0004","6.2586","0.0002","36.1603","0.0012","90","","92.17","0.002","90","","3626.51","0.19","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H110 N6 O4 -","- C84 H110 N6 O4 -","- C168 H220 N12 O8 -","2","1","","Zhang, Shuqing; Hao, Aiyou; Xing, Pengyao","Solvent-resolved self-assemblies of cholesteryl-cyanostilbene conjugates with photo- and thermo-responsiveness.","Nanoscale","2023","15","21","9567","9576","10.1039/d3nr01056b","","x-ray","1.54184","CuKα","","0.1603","0.1032","","","0.2496","0.3157","","","","","","0.985","","","","has coordinates","284288","2023-06-05","04:39:54",""
"1569019","14.8421","0.0004","6.7381","0.0002","12.6407","0.0006","90","","120.534","0.002","90","","1088.86","0.07","305","","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Br2 N2 O6 -","- C5 H8 Br2 N2 O6 -","- C20 H32 Br8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0469","0.0408","","","0.0952","0.098","","","","","","1.132","","","","has coordinates","284900","2023-07-05","09:45:23",""
"1569020","6.737","0.0004","12.6197","0.0007","27.5521","0.0014","90","","90","","90","","2342.4","0.2","305","","305","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 I2 N6 O18 -","- C10 H15 I2 N6 O18 -","- C40 H60 I8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.084","0.0503","","","0.112","0.13","","","","","","0.976","","","","has coordinates","284900","2023-07-05","09:45:27",""
"1569021","12.074","0.004","6.959","0.003","22.562","0.009","90","","90.017","0.013","90","","1895.7","1.3","250","","250","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H16 Cl6 N2 O6 -","- C10 H16 Cl6 N2 O6 -","- C40 H64 Cl24 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0361","0.0296","","","0.0613","0.0645","","","","","","1.057","","","","has coordinates","284900","2023-07-05","09:45:27",""
"1569022","7.0321","0.0003","11.3862","0.0005","7.2912","0.0003","90","","118.747","0.002","90","","511.85","0.04","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Br3 N O3 -","- C5 H8 Br3 N O3 -","- C10 H16 Br6 N2 O6 -","2","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0881","0.0355","","","0.0577","0.0672","","","","","","1.013","","","","has coordinates","284900","2023-07-05","09:45:39",""
"1569023","12.5956","0.0011","6.6449","0.0006","27.335","0.002","90","","102.653","0.005","90","","2232.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 N6 O18 -","- C10 H16 Cl2 N6 O18 -","- C40 H64 Cl8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.086","0.0809","","","0.2314","0.2351","","","","","","1.094","","","","has coordinates","284900","2023-07-05","09:45:43",""
"1569024","7.5161","0.0002","11.0417","0.0003","14.1414","0.0003","90","","92.476","0.002","90","","1172.51","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O9 -","- C6 H11 N3 O9 -","- C24 H44 N12 O36 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0621","0.0463","","","0.1152","0.1297","","","","","","1.026","","","","has coordinates","284900","2023-07-05","09:45:47",""
"1569025","6.6728","0.0009","12.5692","0.0019","27.033","0.004","90","","90","","90","","2267.3","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Br2 N6 O18 -","- C10 H16 Br2 N6 O18 -","- C40 H64 Br8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0486","0.0336","","","0.0785","0.0854","","","","","","1.036","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569026","13.1616","0.0008","13.0126","0.0008","6.7544","0.0004","90","","98.802","0.005","90","","1143.18","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 I2 N2 O6 -","- C5 H8 I2 N2 O6 -","- C20 H32 I8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","x-ray","0.71073","MoKα","","0.0425","0.0288","","","0.0609","0.0706","","","","","","1.054","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569027","14.7924","0.0015","6.6138","0.0006","12.57","0.002","90","","121.68","0.004","90","","1046.5","0.2","296","","296","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Cl2 N2 O6 -","- C5 H8 Cl2 N2 O6 -","- C20 H32 Cl8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0279","0.0258","","","0.0618","0.0632","","","","","","1.065","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569028","6.9671","0.0002","12.3623","0.0005","26.6682","0.0012","90","","90","","90","","2296.92","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 I3 N O3 -","- C5 H8 I3 N O3 -","- C40 H64 I24 N8 O24 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0585","0.0376","","","0.0828","0.0931","","","","","","1.027","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569029","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Yuan, Amelia T.; Stillman, Martin J.","Arsenic binding to human metallothionein-3.","Chemical science","2023","14","21","5756","5767","10.1039/d3sc00400g","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284240","2023-06-05","04:10:09",""
"1569030","20.0701","0.0004","6.4604","0.0001","22.2814","0.0005","90","","107.245","0.002","90","","2759.15","0.1","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Gd K4 N7 O6 S7 -","- C7 H4 Gd K4 N7 O6 S7 -","- C28 H16 Gd4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0429","0.0439","","","","","","1.122","","","","has coordinates","283515","2023-05-05","10:40:31",""
"1569031","20.0808","0.0004","6.4405","0.0001","22.2609","0.0004","90","","107.379","0.002","90","","2747.58","0.09","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Dy K4 N7 O6 S7 -","- C7 H4 Dy K4 N7 O6 S7 -","- C28 H16 Dy4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0241","0.0187","","","0.041","0.0487","","","","","","1.16","","","","has coordinates","283516","2023-05-05","10:41:03",""
"1569032","20.0705","0.0005","6.4492","0.0001","22.255","0.0005","90","","107.304","0.003","90","","2750.28","0.11","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 K4 N7 O6 S7 Tb -","- C7 H4 K4 N7 O6 S7 Tb -","- C28 H16 K16 N28 O24 S28 Tb4 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0313","0.025","","","0.0615","0.0645","","","","","","1.072","","","","has coordinates","283517","2023-05-05","10:41:25",""
"1569033","16.1305","0.0005","8.6024","0.0003","7.3426","0.0002","90","","96.425","0.001","90","","1012.47","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co O6 -","- C10 H8 Co O6 -","- C40 H32 Co4 O24 -","4","0.5","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","","0.56086","AgKα","","0.0238","0.0225","","","0.0584","0.0589","","","","","","1.118","","","","has coordinates","283518","2023-05-05","10:42:05",""
"1569034","8.833","0.003","9.691","0.003","18.674","0.006","98.274","0.007","93.305","0.01","107.308","0.009","1501.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Mg2 N2 O14 -","- C26 H30 Mg2 N2 O14 -","- C52 H60 Mg4 N4 O28 -","2","1","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","x-ray","0.71073","MoKα","","0.1208","0.0744","","","0.1448","0.1659","","","","","","1.032","","","","has coordinates","283519","2023-05-05","10:42:35",""
"1569035","7.8725","0.0004","10.9122","0.0006","15.6053","0.0008","103.034","0.002","96.915","0.002","92.46","0.002","1293.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5,3',5'- tetrabromo-[4,4']bipyridine","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","2","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0551","0.0417","","","0.1003","0.1069","","","","","","1.038","","","","has coordinates","283520","2023-05-05","11:23:03",""
"1569036","18.3716","0.001","11.4111","0.0006","13.2287","0.0012","90","","132.282","0.002","90","","2051.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br4 Co N4 O8 -","- C12 H12 Br4 Co N4 O8 -","- C48 H48 Br16 Co4 N16 O32 -","4","0.5","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0433","0.0324","","","0.0758","0.079","","","","","","1.019","","","","has coordinates","283521","2023-05-05","11:23:27",""
"1569037","8.0769","0.0006","8.5225","0.0006","12.5476","0.0009","99.941","0.006","96.608","0.006","93.121","0.006","842.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N S3 -","- C15 H22 Br N S3 -","- C30 H44 Br2 N2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.047","0.0352","","","0.0687","0.0753","","","","","","1.047","","","","has coordinates","283522","2023-05-05","11:23:47",""
"1569038","8.5163","0.0009","9.5058","0.001","14.5582","0.0015","73.29","0.01","89.59","0.01","85.96","0.01","1125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O3 S3 -","- C16 H23 Cl3 N2 O3 S3 -","- C32 H46 Cl6 N4 O6 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0751","0.0489","","","0.1326","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283523","2023-05-05","11:24:16",""
"1569039","8.4811","0.0006","9.8093","0.0007","11.8739","0.0009","99.469","0.002","99.016","0.002","93.623","0.002","958.31","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N2 O S3 -","- C18 H23 Cl N2 O S3 -","- C36 H46 Cl2 N4 O2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0338","0.0295","","","0.0775","0.0793","","","","","","1.066","","","","has coordinates","283524","2023-05-05","11:24:38",""
"1569040","28.7667","0.001","31.0967","0.0011","22.7773","0.0008","90","","90","","90","","20375.4","1.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H21 I2 N3 O5 Zn -","- C23 H21 I2 N3 O5 Zn -","- C736 H672 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0862","0.0615","","","0.1406","0.1565","","","","","","1.031","","","","has coordinates,has disorder","283525","2023-05-05","15:42:39",""
"1569041","28.6666","0.0011","31.2803","0.0015","22.6871","0.0011","90","","90","","90","","20343.5","1.6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H19 I2 N3 O5 Zn -","- C23 H19 I2 N3 O5 Zn -","- C736 H608 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0543","0.0449","","","0.0951","0.0999","","","","","","1.048","","","","has coordinates,has disorder","283526","2023-05-05","15:43:25",""
"1569042","12.8452","0.0005","22.8123","0.0008","13.0509","0.0005","90","","115.75","0.002","90","","3444.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H14.5 Ag3 F18 N7 O1.25 -","- C29 H14.5 Ag3 F18 N7 O1.25 -","- C116 H58 Ag12 F72 N28 O5 -","4","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0512","0.0388","","","0.0888","0.0956","","","","","","1.032","","","","has coordinates,has disorder","283527","2023-05-05","15:43:53",""
"1569043","13.1222","0.0008","14.3897","0.001","20.6671","0.0014","90","","91.486","0.003","90","","3901.1","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C148 H72 Ag12 F72 N28 O4 -","4","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0462","0.0424","","","0.0955","0.0978","","","","","","1.151","","","","has coordinates,has disorder","283528","2023-05-05","15:44:26",""
"1569044","7.8326","0.0002","11.0556","0.0002","12.8446","0.0003","114.754","0.001","102.718","0.001","94.914","0.001","965.22","0.04","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","1","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0155","0.0153","","","0.0367","0.0368","","","","","","1.037","","","","has coordinates","283529","2023-05-05","15:44:41",""
"1569045","6.111","0.004","5.467","0.003","5.114","0.002","90","","114.68","0.07","90","","155.25","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C4 Cu2 O8 -","2","0.5","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","","0.71073","MoKα","","0.1757","0.1325","","","0.369","0.3923","","","","","","1.229","","","","has coordinates","283530","2023-05-05","19:59:28",""
"1569046","5.601","0.002","5.415","0.003","2.5553","0.0008","90","","90","","90","","77.5","0.06","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0905","0.0726","","","0.1854","0.2027","","","","","","1.135","","","","has coordinates,has disorder","283531","2023-05-05","19:59:45",""
"1569047","5.607","0.002","5.428","0.002","2.5579","0.0007","90","","90","","90","","77.85","0.05","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0994","0.081","","","0.2135","0.258","","","","","","1.207","","","","has coordinates","283532","2023-05-05","19:59:58",""
"1569048","6.147","0.003","5.433","0.002","5.1173","0.0018","90","","114.51","0.05","90","","155.5","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C4 Cu2 O8 -","2","0.5","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.1334","0.0958","","","0.2519","0.2706","","","","","","1.27","","","","has coordinates","283533","2023-05-05","20:00:14",""
"1569049","10.1108","0.0001","34.6407","0.0002","11.5453","0.0001","90","","112.005","0.001","90","","3749.11","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 B N3 Na O Si3 -","- C28 H63 B N3 Na O Si3 -","- C112 H252 B4 N12 Na4 O4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0432","0.036","","","0.0958","0.1027","","","","","","1.061","","","","has coordinates,has disorder","284883","2023-07-05","09:34:57",""
"1569050","12.50294","0.0001","16.73895","0.00015","15.65536","0.00013","90","","98.9971","0.0008","90","","3236.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H55 B N3 Na Si3 -","- C21 H55 B N3 Na Si3 -","- C84 H220 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0577","0.0511","","","0.1415","0.1492","","","","","","1.069","","","","has coordinates","284883","2023-07-05","09:35:10",""
"1569051","11.0817","0.0001","18.6842","0.0002","16.2208","0.0002","90","","93.358","0.001","90","","3352.79","0.06","100.3","0.5","100.3","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H55 B N3 Na Si2 -","- C29 H55 B N3 Na Si2 -","- C116 H220 B4 N12 Na4 Si8 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0643","0.0549","","","0.1474","0.1574","","","","","","1.071","","","","has coordinates,has disorder","284883","2023-07-05","09:35:13",""
"1569052","10.09239","0.00018","17.0772","0.0003","18.2578","0.0003","90","","95.549","0.0017","90","","3131.98","0.09","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H55 B Li N3 Si3 -","- C21 H55 B Li N3 Si3 -","- C84 H220 B4 Li4 N12 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0501","0.0479","","","0.1382","0.1436","","","","","","1.126","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569053","12.5688","0.0015","17.32","0.002","16.3239","0.001","90","","91.481","0.007","90","","3552.4","0.6","100.35","0.1","100.35","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H61 B N3 Na Si3 -","- C27 H61 B N3 Na Si3 -","- C108 H244 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0875","0.0727","","","0.1906","0.2101","","","","","","1.062","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569054","11.6411","0.0001","18.6662","0.0001","33.6871","0.0002","90","","90","","90","","7320.04","0.09","99.99","0.1","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H59 B N3 Na O2 Si2 -","- C30.673 H58.346 B N3 Na O1.673 Si2 -","- C245.384 H466.768 B8 N24 Na8 O13.384 Si16 -","8","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","","1.54184","CuKα","","0.0469","0.0459","","","0.1074","0.108","","","","","","1.136","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569055","6.9978","0.0001","14.4109","0.0003","12.2598","0.0002","90","","91.455","0.002","90","","1235.94","0.04","99.9","0.7","99.9","0.7","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N O5 S2 -","- C26 H20 F3 N O5 S2 -","- C52 H40 F6 N2 O10 S4 -","2","1","","Zhang, Zhi-Xin; Liu, Li-Gao; Liu, Yi-Xi; Lin, Jian; Lu, Xin; Ye, Long-Wu; Zhou, Bo","Organocatalytic intramolecular (4 + 2) annulation of enals with ynamides: atroposelective synthesis of axially chiral 7-aryl indolines.","Chemical science","2023","14","22","5918","5924","10.1039/d3sc01880f","","x-ray","1.54184","CuKα","","0.0493","0.0478","","","0.1294","0.1351","","","","","","1.097","","","","has coordinates","284893","2023-07-05","09:42:10",""
"1569056","13.7393","0.0004","13.7546","0.0005","14.7849","0.0006","112.76","0.004","91.008","0.003","93.713","0.003","2568.3","0.18","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C48 H69 Cl3 O6 Si3 -","- C48 H69 Cl3 O6 Si3 -","- C96 H138 Cl6 O12 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0477","0.0362","","","0.0908","0.0979","","","","","","1.026","","","","has coordinates","284891","2023-07-05","09:41:25",""
"1569057","25.2554","0.0011","11.0935","0.0006","25.7721","0.0014","90","","105.25","0.005","90","","6966.3","0.6","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H99 Ce K2 O12 Si3 -","- C60 H99 Ce K2 O12 Si3 -","- C240 H396 Ce4 K8 O48 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1349","0.0762","","","0.1703","0.2","","","","","","1.017","","","","has coordinates,has disorder","284891","2023-07-05","09:41:28",""
"1569058","13.2982","0.0005","13.6413","0.0004","17.7827","0.0006","86.91","0.003","69.976","0.003","85.916","0.003","3021.66","0.19","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 Ce Cl O9 Si3 -","- C48 H69 Ce Cl O9 Si3 -","- C96 H138 Ce2 Cl2 O18 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.073","0.0584","","","0.1513","0.1636","","","","","","1.022","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569059","14.0331","0.0003","15.4209","0.0004","16.938","0.0004","109.329","0.002","108.864","0.002","101.873","0.002","3065.72","0.16","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H85 Ce O10 Si3 -","- C59 H85 Ce O10 Si3 -","- C118 H170 Ce2 O20 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","0.71073","MoKα","","0.0564","0.0421","","","0.0994","0.1078","","","","","","1.08","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569060","13.5317","0.0009","19.775","0.0016","20.4919","0.0012","67.818","0.006","89.464","0.005","89.905","0.006","5077.4","0.6","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H72 O9 Si3 -","- C48 H72 O9 Si3 -","- C192 H288 O36 Si12 -","4","2","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1621","0.0634","","","0.0994","0.1382","","","","","","0.854","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569061","15.5349","0.0004","16.9728","0.0005","21.2514","0.0006","112.666","0.003","95.795","0.002","108.276","0.002","4749.9","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","1","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0521","0.041","","","0.1096","0.1167","","","","","","1.041","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569062","13.54182","0.00009","33.4467","0.0002","20.39623","0.00015","90","","91.1616","0.0006","90","","9236.15","0.11","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C268 H420 Ce4 K4 N8 O68 Si12 -","2","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0348","0.0315","","","0.0817","0.0839","","","","","","1.043","","","","has coordinates","284891","2023-07-05","09:41:30",""
"1569063","29.21058","0.00019","18.42416","0.00015","29.16367","0.00018","90","","98.1608","0.0007","90","","15536.4","0.19","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H186 K8 O24 Si6 -","- C120 H186 K8 O24 Si6 -","- C480 H744 K32 O96 Si24 -","4","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0817","0.084","","","","","","1.035","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569064","20.1856","0.0004","20.8622","0.0004","21.3727","0.0004","90","","105.036","0.002","90","","8692.2","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H133 Ce K N2 O18 Si3 -","- C78 H133 Ce K N2 O18 Si3 -","- C312 H532 Ce4 K4 N8 O72 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0805","0.056","","","0.1406","0.1613","","","","","","1.056","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569065","13.77347","0.00011","45.4297","0.0004","15.21804","0.00013","90","","93.1526","0.0007","90","","9507.89","0.14","140","0.1","140","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H130 Ce K N2 O17 P Si3 -","- C76 H130 Ce K N2 O17 P Si3 -","- C304 H520 Ce4 K4 N8 O68 P4 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0586","0.0554","","","0.1199","0.1213","","","","","","1.148","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569066","5.2524984878","","6.3202611905","","13.523442891","","89.662","","100.131","","91.0107","","441.87","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H6 Cu O12 Zn4 -","- C2 H6 Cu O12 Zn4 -","- C4 H12 Cu2 O24 Zn8 -","2","1","","Santamaría-Pérez, David; Chuliá-Jordán, Raquel; Otero-de-la-Roza, Alberto; Oliva, Robert; Popescu, Catalin","High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral","Minerals","2023","13","5","619","","10.3390/min13050619","","","","","","","","","","","","","","","","","","","","","has coordinates","283541","2023-05-05","23:50:23",""
"1569067","4.5908","0.0006","5.6201","0.0008","39.348","0.005","90","","90","","90","","1015.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.0458","0.037","","","0.065","0.0683","","","","","","1.059","","","","has coordinates","283542","2023-05-06","00:01:00",""
"1569068","5.4729","0.0009","8.7652","0.0014","21.37","0.003","90","","96.201","0.011","90","","1019.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.1377","0.0768","","","0.1589","0.1863","","","","","","1.04","","","","has coordinates","283543","2023-05-06","00:01:19",""
"1569069","8.2705","0.0003","8.3119","0.0004","8.6304","0.0004","81.434","0.004","78.227","0.004","66.545","0.004","531.3","0.04","294.6","0.5","294.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C8 H19 Br N O -","- C8 H19 Br N O -","- C16 H38 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0401","0.0358","","","0.0945","0.0966","","","","","","1.06","","","","has coordinates","284347","2023-06-05","05:03:34",""
"1569070","15.6157","0.0017","13.7323","0.0016","10.4556","0.001","90","","90","","90","","2242.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H29 Br2 N2 -","- C19 H29 Br2 N2 -","- C76 H116 Br8 N8 -","4","0.5","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.1124","0.0723","","","0.2168","0.2478","","","","","","1.05","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1569071","8.7747","0.0006","8.8458","0.0006","8.9862","0.0005","94.525","0.005","105.831","0.005","117.457","0.007","578.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H21 Br N O -","- C9 H21 Br N O -","- C18 H42 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0766","0.0525","","","0.1367","0.1491","","","","","","1.029","","","","has coordinates","284347","2023-06-05","05:03:35",""
"1569072","13.631","0.0005","14.463","0.0006","15.8288","0.0006","112.847","0.001","92.606","0.001","109.383","0.001","2657.65","0.18","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cu F6 N5 O4 P -","- C55 H65 Cu F6 N5 O4 P -","- C110 H130 Cu2 F12 N10 O8 P2 -","2","1","","Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav","Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear Mo<sup>VI</sup><sub>2</sub>Cu<sup>I</sup><sub>2</sub> Complex.","Molecules (Basel, Switzerland)","2023","28","8","3644","","10.3390/molecules28083644","","","0.71073","MoKα","","0.0428","0.0372","","","0.0969","0.1011","","","","","","1.04","","","","has coordinates","283546","2023-05-06","01:32:59",""
"1569073","20.546","0.005","21.591","0.007","25.679","0.007","90","","109.253","0.006","90","","10754","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H122 Cu2 Mo2 N14 O12 Si -","- C114 H122 Cu2 Mo2 N14 O12 Si -","- C456 H488 Cu8 Mo8 N56 O48 Si4 -","4","1","","Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav","Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear Mo<sup>VI</sup><sub>2</sub>Cu<sup>I</sup><sub>2</sub> Complex.","Molecules (Basel, Switzerland)","2023","28","8","3644","","10.3390/molecules28083644","","","0.71073","MoKα","","0.0996","0.0682","","","0.176","0.1977","","","","","","1.022","","","","has coordinates,has disorder","283547","2023-05-06","01:33:42",""
"1569074","7.4636","0.0005","8.4407","0.0003","25.5378","0.0012","97.847","0.003","93.939","0.006","95.084","0.004","1582.17","0.14","","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","2","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.0953","0.0788","","","0.2327","0.2634","","","","","","1.0364","","","","has coordinates","283548","2023-05-06","01:34:21",""
"1569075","25.7114","0.0006","15.3506","0.0003","6.8717","0.0002","90","","97.058","0.003","90","","2691.61","0.11","","","293","","","","1025","","","","Sigma aldrich","3","P 1 21/c 1","-P 2ybc","14","cardamonin","(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.0839","0.0678","","","0.2274","0.2409","","","","","","1.0594","","","","has coordinates","283549","2023-05-06","01:35:03",""
"1569076","19.354","0.004","15.2873","0.0018","7.2681","0.0011","90","","97.215","0.018","90","","2133.4","0.6","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isobavachalcone","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.3082","0.2758","","","0.5307","0.5557","","","","","","1.918","","","","has coordinates","283550","2023-05-06","01:35:33",""
"1569077","9.9962","0.0002","10.9047","0.0002","11.7215","0.0002","90","","96.101","0.002","90","","1270.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B5 N3 O11 -","- C2 H14 B5 N3 O11 -","- C8 H56 B20 N12 O44 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","0.71075","MoKα","K-L~3~","0.0275","0.0267","","","0.0737","0.0743","","","","","","1.071","","","","has coordinates","283551","2023-05-06","01:36:13",""
"1569078","9.3096","0.0006","9.3175","0.0003","9.3733","0.0006","76.598","0.005","85.611","0.005","79.947","0.004","778.22","0.08","99.9","0.7","99.9","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C7 H18 B5 N3 O10 -","- C7 H18 B5 N3 O10 -","- C14 H36 B10 N6 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0616","0.0561","","","0.1677","0.1747","","","","","","1.076","","","","has coordinates,has disorder","283552","2023-05-06","01:36:39",""
"1569079","9.4957","0.0001","11.449","0.0001","16.8459","0.0001","90","","98.071","0.001","90","","1813.28","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H23 B6 N3 O13 -","- C6 H23 B6 N3 O13 -","- C24 H92 B24 N12 O52 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0268","0.0263","","","0.067","0.0674","","","","","","1.004","","","","has coordinates","283553","2023-05-06","01:37:15",""
"1569080","7.487","0.0002","8.5076","0.0002","9.6502","0.0002","93.906","0.002","98.47","0.002","96.457","0.002","601.88","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C H11 B5 N4 O10 -","- C H11 B5 N4 O10 -","- C2 H22 B10 N8 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0302","0.0294","","","0.0818","0.0827","","","","","","1.04","","","","has coordinates","283554","2023-05-06","01:37:46",""
"1569081","9.5035","0.0003","9.5151","0.0003","10.4386","0.0003","65.381","0.001","69.049","0.002","88.603","0.002","792.72","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H18 B5 N3 O10 -","- C5 H18 B5 N3 O10 -","- C10 H36 B10 N6 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","","0.71073","MoKα","","0.0493","0.0373","","","0.0873","0.0935","","","","","","1.057","","","","has coordinates","283555","2023-05-06","01:38:15",""
"1569082","9.9747","0.0002","11.2563","0.0003","11.6174","0.0003","90","","96.084","0.002","90","","1297.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B5 N3 O10 -","- C3 H14 B5 N3 O10 -","- C12 H56 B20 N12 O40 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","0.71075","MoKα","","0.0306","0.028","","","0.0794","0.0811","","","","","","1.035","","","","has coordinates","283556","2023-05-06","01:38:50",""
"1569083","8.7226","0.0002","12.4479","0.0003","14.1827","0.0004","90","","107.294","0.001","90","","1470.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe2 N2 O2 -","- C16 H16 Fe2 N2 O2 -","- C64 H64 Fe8 N8 O8 -","4","1","","Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","Diiron Aminocarbyne Complexes with NCE<sup>-</sup> Ligands (E = O, S, Se).","Molecules (Basel, Switzerland)","2023","28","7","3251","","10.3390/molecules28073251","","","0.71073","MoKα","","0.0353","0.0283","","","0.0632","0.0677","","","","","","1.074","","","","has coordinates","283557","2023-05-06","01:39:16",""
"1569084","19.1245","0.0015","24.418","0.0018","15.6004","0.0011","90","","109.5","0.005","90","","6867.2","0.9","100","2","100","2","","","","","","","as described","3","C 1 2 1","C 2y","5","","","","- C51 H82 O46.5 -","- C51 H82 O46.5 -","- C204 H328 O186 -","4","1","","Mazurek, Anna Helena; Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Dudek, Marta Katarzyna; Zielińska-Pisklak, Monika; Pisklak, Dariusz Maciej","17-β-Estradiol—β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization","Molecules","2023","28","9","3747","","10.3390/molecules28093747","","x-ray","1.54178","CuKα","","0.104","0.0952","","","0.2591","0.2688","","","","","","1.038","","","","has coordinates,has disorder","283558","2023-05-06","01:39:58",""
"1569085","24.891","0.002","7.3061","0.0007","11.7772","0.0011","90","","90","","90","","2141.8","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","ndi-cd-water","","- C40 H30 Cd N4 O19 -","- C40 H30 Cd N4 O19 -","- C80 H60 Cd2 N8 O38 -","2","0.5","","Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui","The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex","Molecules","2023","28","9","3709","","10.3390/molecules28093709","","","0.71073","MoKα","","0.0326","0.0305","","","0.0803","0.0822","","","","","","1.027","","","","has coordinates,has disorder","283559","2023-05-06","01:40:49",""
"1569086","5.7044","0.0004","9.9485","0.0007","11.7687","0.0007","90","","90.321","0.002","90","","667.87","0.08","300","2","300.15","","","","","","","","","4","P 1 n 1","P -2yac","7","<i>N</i>-Methylserotonin hydrogen oxalate","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","BX4024","Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Methylserotonin hydrogen oxalate","IUCrData","2023","8","5","","","10.1107/S2414314623003784","","","0.71073","MoKα","","0.0303","0.0295","","","0.0764","0.0769","","","","","","1.096","","","","has coordinates","283560","2023-05-06","01:49:26",""
"1569087","10.2051","0.0016","6.3872","0.0009","12.4369","0.0018","90","","102.597","0.012","90","","791.1","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.673 Eu0.327 O10 -","- B4 Ba Bi1.666 Eu0.334 O10 -","- B16 Ba4 Bi6.664 Eu1.336 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0659","0.0342","","","0.0318","0.0351","","","","1.25","1.25","1.12","","","","has coordinates","283561","2023-05-06","07:06:06",""
"1569088","10.1862","0.0016","6.3819","0.0009","12.4466","0.0018","90","","102.701","0.012","90","","789.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.942 Eu0.058 O10 -","- B4 Ba Bi1.94 Eu0.06 O10 -","- B16 Ba4 Bi7.76 Eu0.24 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0551","0.0317","","","0.0305","0.0329","","","","1.25","1.25","1.13","","","","has coordinates","283562","2023-05-06","07:06:43",""
"1569089","10.236","0.0016","6.3962","0.0009","12.3912","0.0018","90","","102.424","0.012","90","","792.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.574 Eu0.426 O10 -","- B4 Ba Bi1.574 Eu0.426 O10 -","- B16 Ba4 Bi6.296 Eu1.704 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0414","0.0269","","","0.0281","0.0299","","","","1.32","1.32","1.22","","","","has coordinates","283563","2023-05-06","07:07:10",""
"1569090","9.3901","0.0008","15.1733","0.0008","16.2514","0.0007","73.186","0.004","77.982","0.005","87.462","0.005","2167.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","2","","Kurpik, Gracjan; Walczak, Anna; Markiewicz, Grzegorz; Harrowfield, Jack; Stefankiewicz, Artur Ryszard","Enhanced catalytic performance derived from stimuli-responsive supramolecular transformations between homometallic complexes and heterometallic polymeric materials","Nanoscale","2023","","","","","10.1039/D3NR01298K","","x-ray","0.71073","MoKα","","0.1025","0.0507","","","0.0882","0.1053","","","","","","0.944","","","","has coordinates","283605","2023-05-09","00:32:47",""
"1569103","25.8992","0.001","25.3671","0.001","38.125","0.002","90","","92.409","0.001","90","","25025.5","1.9","193","2","193","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C648 H1296 K36 Mo12 N72 O216 Sb96 -","4","1","","Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong","A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.","Materials horizons","2023","10","8","2997","3004","10.1039/d3mh00445g","","","0.71073","MoKα","","0.0951","0.0548","","","0.1285","0.1443","","","","","","0.987","","","","has coordinates,has disorder","285539","2023-08-05","09:39:24",""
"1569104","27.0233","0.0002","9.00367","0.00009","8.96199","0.00008","90","","94.2689","0.0008","90","","2174.48","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-([(<i>Z</i>)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C20 H23 N3 O4 S2 -","- C20 H23 N3 O4 S2 -","- C80 H92 N12 O16 S8 -","4","1","BT4133","Shripanavar, Chetan Shrimandhar; Balerao, Rishik; Butcher, Ray J.","5-([(Z)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3H)-thione dimethyl sulfoxide monosolvate","IUCrData","2023","8","3","","","10.1107/S2414314623002377","","","1.54184","CuKα","","0.0573","0.0535","","","0.1623","0.1659","","","","","","1.092","","","","has coordinates","283674","2023-05-11","01:49:16",""
"1569105","29.8739","0.0008","10.6344","0.0004","7.6425","0.0004","90","","99.93","0.004","90","","2391.58","0.17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) perchlorate","","- C24 H16 Ag Cl N4 O4 S2 -","- C24 H16 Ag Cl N4 O4 S2 -","- C96 H64 Ag4 Cl4 N16 O16 S8 -","4","0.5","BT4134","Crundwell, Guy","Bis[2-(thiophen-2-yl)quinoxaline-κN 4]silver(I) perchlorate","IUCrData","2023","8","3","","","10.1107/S2414314623002468","","","0.71073","MoKα","","0.0592","0.0301","","","0.0671","0.0718","","","","","","0.821","","","","has coordinates,has disorder","283675","2023-05-11","01:49:37",""
"1569106","18.9246","0.001","8.9789","0.0004","22.2776","0.0013","90","","120.967","0.007","90","","3245.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-(2,3-di(thiophen-2'-yl)-5-methylquinoxaline)silver(I) nitrate","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κ<i>N</i>^1^](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C34 H24 Ag N5 O3 S4 -","- C34 H24 Ag N5 O3 S4 -","- C136 H96 Ag4 N20 O12 S16 -","4","0.5","BT4136","Crundwell, Guy; Ellis, Kristin M.","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN 1](nitrato-κ2 O,O′)silver(I)","IUCrData","2023","8","3","","","10.1107/S2414314623002651","","x-ray","0.71073","MoKα","","0.0723","0.0412","","","0.0918","0.1068","","","","","","1.037","","","","has coordinates,has disorder","283676","2023-05-11","01:49:59",""
"1569107","9.6342","0.0006","21.7612","0.0013","9.6649","0.0006","90","","90","","90","","2026.3","0.2","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0776","0.0776","","","","","","1.072","","","","has coordinates","284911","2023-07-05","09:56:02",""
"1569108","10.2681","0.0008","13.4445","0.001","18.5225","0.0014","75.214","0.003","78.879","0.003","68.82","0.002","2290.9","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O4 -","- C31 H25 N O4 -","- C124 H100 N4 O16 -","4","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0347","0.0328","","","0.0875","0.0893","","","","","","1.045","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569109","9.7117","0.0006","17.1656","0.0011","19.8546","0.0013","90","","90","","90","","3309.9","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0476","0.0417","","","0.1076","0.1131","","","","","","1.041","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569110","19.1967","0.0009","13.7962","0.0006","13.848","0.0006","90","","90","","90","","3667.5","0.3","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C184 H152 N8 O40 -","8","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0343","0.0341","","","0.0903","0.0906","","","","","","1.045","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569111","11.0296","0.0003","13.7412","0.0003","17.5524","0.0004","90","","90","","90","","2660.24","0.11","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C124 H116 N4 O28 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0238","0.0238","","","0.0613","0.0613","","","","","","1.068","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569112","9.7429","0.0007","14.3116","0.001","18.0645","0.0012","67.127","0.0015","81.542","0.0016","80.5606","0.0017","2279.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H54 N2 O15 -","- C52 H54 N2 O15 -","- C104 H108 N4 O30 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0554","0.0483","","","0.1297","0.1365","","","","","","1.037","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569113","8.6339","0.0002","15.244","0.0003","33.422","0.0006","83.1131","0.0013","89.851","0.0013","83.6116","0.0014","4339.73","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H86 N4 O9 S8 -","- C104 H86 N4 O9 S8 -","- C208 H172 N8 O18 S16 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0823","0.0609","","","0.1288","0.1436","","","","","","1.101","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569114","12.622","0.0011","9.9052","0.0009","13.1752","0.0011","90","","96.22","0.003","90","","1637.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0506","0.0459","","","0.1176","0.1223","","","","","","1.03","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569115","7.9089","0.0003","21.0205","0.0009","13.341","0.0006","90","","96.0784","0.0016","90","","2205.46","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0413","0.0373","","","0.0945","0.0978","","","","","","1.039","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569116","11.2062","0.001","11.4773","0.0011","16.2488","0.0015","90","","94.0553","0.0018","90","","2084.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0515","0.0462","","","0.1216","0.1275","","","","","","1.047","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569117","11.3403","0.0004","11.8742","0.0004","12.8266","0.0005","75.401","0.0015","71.361","0.0015","62.6841","0.0013","1442.67","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O10 -","- C34 H28 N2 O10 -","- C68 H56 N4 O20 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0426","0.037","","","0.0974","0.1012","","","","","","1.069","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569118","12.199","0.005","14.356","0.005","21.64","0.005","83.953","0.005","86.895","0.005","66.88","0.005","3466","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Cl2 N10 O Zn1.5 -","- C72 H72 Cl2 N10 O Zn1.5 -","- C144 H144 Cl4 N20 O2 Zn3 -","2","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.393","0.1591","","","0.349","0.4507","","","","","","1.013","","","","has coordinates","284896","2023-07-05","09:43:17",""
"1569119","11.212","0.0009","13.3082","0.0011","19.7177","0.0015","73.666","0.002","84.633","0.002","68.645","0.002","2629.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H100 Cl4 N12 O2 Zn2.4 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","1","0.5","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.1071","0.0712","","","0.1985","0.2202","","","","","","1.059","","","","has coordinates","284896","2023-07-05","09:43:21",""
"1569120","12.967","0.002","14.683","0.002","17.866","0.003","82.663","0.004","72.777","0.004","72.012","0.004","3087.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","1","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.0506","0.0452","","","0.1058","0.1086","","","","","","1.007","","","","has coordinates","284896","2023-07-05","09:43:31",""
"1569121","9.26934","0.00012","14.15286","0.00015","12.30478","0.00015","90","","111.354","0.0014","90","","1503.42","0.03","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0967","0.0974","","","","","","1.098","","","","has coordinates","284904","2023-07-05","09:48:05",""
"1569122","13.3991","0.0002","9.824","0.0001","13.8269","0.0002","90","","105.917","0.001","90","","1750.29","0.04","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N4 O -","- C19 H19 Cl N4 O -","- C76 H76 Cl4 N16 O4 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0401","0.0393","","","0.1039","0.1045","","","","","","1.037","","","","has coordinates","284904","2023-07-05","09:48:05",""
"1569123","13.57251","0.00016","22.5778","0.0002","17.07448","0.00017","90","","99.922","0.0011","90","","5154","0.09","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C196 H208 Au12 B4 Cl4 F16 N36 -","2","0.5","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0593","0.0496","","","0.1311","0.1376","","","","","","1.028","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569124","14.44142","0.00013","43.0804","0.0004","17.47381","0.00012","90","","92.7197","0.0007","90","","10859","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C464 H392 Au24 B8 Cl8 F32 N96 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0449","0.0379","","","0.0949","0.0985","","","","","","1.033","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569125","28.2746","0.0008","33.2019","0.0008","29.4805","0.001","90","","106.484","0.003","90","","26537.9","1.4","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C824 H888 Ag24 Au48 B40 F160 N168 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.1197","0.097","","","0.2906","0.3128","","","","","","1.109","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569126","35.541","0.0003","15.07664","0.00017","50.5683","0.0005","90","","93.2056","0.0009","90","","27054.1","0.5","93","2","93","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C123 H109 Ag4 Au6 B6 Cl4 F24 N27 -","- C123 H108.5 Ag4 Au6 B6 Cl4 F24 N27 -","- C984 H868 Ag32 Au48 B48 Cl32 F192 N216 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.068","0.0605","","","0.1686","0.1753","","","","","","1.05","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569127","50.442","0.007","17.173","0.002","36.609","0.008","90","","126.454","0.009","90","","25507","8","260","","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0565","0.0415","","","0.0942","0.1033","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569128","50.415","0.008","17.153","0.003","36.605","0.009","90","","126.479","0.01","90","","25453","9","250","","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0552","0.0403","","","0.1012","0.1128","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569129","50.174","0.002","17.1013","0.0007","36.5414","0.0018","90","","126.54","0.001","90","","25191.1","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.063","0.0455","","","0.1001","0.1133","","","","","","1.034","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569130","50.377","0.007","17.131","0.002","36.574","0.008","90","","126.572","0.007","90","","25349","8","230","","230","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.051","0.0362","","","0.0938","0.106","","","","","","1.03","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569131","50.203","0.003","17.1051","0.0008","36.545","0.002","90","","126.57","0.002","90","","25204","2","190","","190","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0561","0.0389","","","0.0876","0.1001","","","","","","1.029","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569132","50.392","0.008","17.139","0.003","36.582","0.008","90","","126.549","0.008","90","","25382","9","240","","240","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0528","0.038","","","0.0995","0.112","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569133","50.309","0.009","17.123","0.003","36.562","0.009","90","","126.516","0.009","90","","25313","9","210","","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0531","0.0369","","","0.0948","0.1081","","","","","","1.041","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569134","50.01","0.011","17.139","0.004","35.795","0.012","90","","126.497","0.01","90","","24664","12","320","","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0724","0.0483","","","0.1108","0.1243","","","","","","1.032","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569135","50.078","0.012","17.124","0.004","35.793","0.013","90","","126.195","0.013","90","","24770","13","330","","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.081","0.0514","","","0.1182","0.1369","","","","","","1.046","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569136","14.2111","0.0008","20.6527","0.001","36.062","0.002","90","","98.644","0.002","90","","10463.9","1","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 N36 O20 -","- C84 H77 N36 O20 -","- C336 H308 N144 O80 -","4","1","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.0831","0.0576","","","0.1381","0.1518","","","","","","1.015","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569137","49.939","0.01","17.159","0.003","35.77","0.01","90","","126.581","0.009","90","","24614","10","310","","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0622","0.0424","","","0.1061","0.1185","","","","","","1.024","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29",""
"1569138","49.985","0.008","17.153","0.003","35.852","0.009","90","","126.717","0.009","90","","24641","9","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0446","0.0326","","","0.0809","0.088","","","","","","1.02","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569139","49.896","0.008","17.153","0.003","35.759","0.008","90","","126.629","0.007","90","","24561","8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H184 N76 O66 U6 -","- C204 H184 N76 O66 U6 -","- C816 H736 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0514","0.0367","","","0.0955","0.1051","","","","","","1.029","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29",""
"1569140","50.132","0.007","17.158","0.003","36.049","0.008","90","","126.771","0.007","90","","24839","8","280","","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0441","0.0327","","","0.0882","0.0953","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569141","50.361","0.012","17.16","0.004","36.437","0.013","90","","126.564","0.012","90","","25291","13","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.06","0.0465","","","0.1117","0.1192","","","","","","1.051","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569142","50.17","0.003","17.1438","0.0012","36.311","0.002","90","","126.806","0.002","90","","25006","3","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1035","0.0694","","","0.1646","0.1829","","","","","","1.043","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569143","50.341","0.003","17.162","0.0012","36.333","0.002","90","","126.839","0.002","90","","25122","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1029","0.0638","","","0.1534","0.1754","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569144","50.335","0.003","17.1605","0.0012","36.326","0.002","90","","126.834","0.002","90","","25114","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1009","0.0633","","","0.1542","0.1755","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569145","50.33","0.003","17.1651","0.0012","36.311","0.002","90","","126.842","0.002","90","","25105","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0638","","","0.1537","0.1756","","","","","","1.012","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569146","50.273","0.003","17.1706","0.0012","36.207","0.002","90","","126.895","0.002","90","","24995","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1032","0.0633","","","0.1514","0.1731","","","","","","1.016","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569147","50.275","0.003","17.1463","0.0012","36.288","0.002","90","","126.859","0.002","90","","25029","3","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.099","0.0636","","","0.1554","0.1752","","","","","","1.045","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569148","50.254","0.003","17.1723","0.0012","36.173","0.002","90","","126.907","0.002","90","","24961","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1022","0.0633","","","0.1525","0.1742","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569149","50.296","0.003","17.1689","0.0012","36.239","0.002","90","","126.873","0.002","90","","25034","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0633","","","0.1514","0.1726","","","","","","1.018","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569150","50.321","0.003","17.1678","0.0012","36.282","0.002","90","","126.859","0.002","90","","25079","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0627","","","0.151","0.1734","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569151","50.184","0.003","17.1664","0.0012","36.104","0.002","90","","126.911","0.002","90","","24869","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1044","0.0639","","","0.1546","0.1762","","","","","","1.035","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569152","49.979","0.003","17.1586","0.0012","35.912","0.002","90","","126.778","0.002","90","","24667","3","330","2","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1217","0.0684","","","0.163","0.1917","","","","","","1.01","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569153","50.132","0.003","17.1643","0.0012","36.047","0.002","90","","126.895","0.002","90","","24806","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H182 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1079","0.0651","","","0.1589","0.1829","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569154","50.227","0.003","17.17","0.0012","36.146","0.002","90","","126.913","0.002","90","","24924","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1038","0.0636","","","0.1564","0.1795","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569155","50.01","0.003","17.1627","0.0012","35.932","0.002","90","","126.811","0.002","90","","24692","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1143","0.0672","","","0.1614","0.1874","","","","","","1.023","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569156","50.073","0.003","17.1624","0.0012","35.989","0.002","90","","126.86","0.002","90","","24746","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.112","0.0664","","","0.1623","0.1877","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569157","50.041","0.003","17.1622","0.0012","35.968","0.002","90","","126.838","0.002","90","","24722","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1178","0.0672","","","0.1601","0.1873","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569158","50.105","0.003","17.1636","0.0012","36.026","0.002","90","","126.878","0.002","90","","24783","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1111","0.0657","","","0.1583","0.183","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569159","50.161","0.003","17.165","0.0012","36.082","0.002","90","","126.907","0.002","90","","24842","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1068","0.064","","","0.1552","0.1785","","","","","","1.021","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569160","13.6441","0.0002","13.8612","0.0002","25.181","0.0005","90","","103.182","0.0019","90","","4636.84","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 N5 O4 -","- C53 H61 N5 O4 -","- C212 H244 N20 O16 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0527","0.0431","","","0.1147","0.1206","","","","","","1.054","","","","has coordinates","286027","2023-09-05","19:04:38",""
"1569161","9.56","0.13","19.48","0.12","15.5","0.3","90","","94.1","0.2","90","","2879","7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","electron","0.0251","200keVelectrons","","0.2325","0.1648","","","0.3778","0.4084","","","","","","2.063","","","","has coordinates","286027","2023-09-05","19:04:39",""
"1569162","14.8971","0.0001","23.3372","0.0002","33.3618","0.0003","90","","92.469","0.001","90","","11587.7","0.16","100.01","0.1","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H63 Br N4 O4 -","- C58 H63 Br N4 O4 -","- C464 H504 Br8 N32 O32 -","8","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0541","0.0518","","","0.1375","0.1389","","","","","","1.068","","","","has coordinates,has disorder","286027","2023-09-05","19:04:39",""
"1569163","23.3077","0.0017","25.5036","0.0018","22.5731","0.0017","90","","106.17","0.003","90","","12887.3","1.6","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H72 Co F20 N6 O4 -","- C60 H72 Co F20 N6 O4 -","- C480 H576 Co8 F160 N48 O32 -","8","2","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1696","0.0866","","","0.1888","0.2317","","","","","","1.038","","","","has coordinates,has disorder","284910","2023-07-05","09:55:30",""
"1569164","14.5633","0.0007","15.7822","0.0008","16.1274","0.0008","71.806","0.004","82.645","0.004","68.825","0.004","3283.2","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 F20 N4 O4 P2 Zn -","- C76 H40 F20 N4 O4 P2 Zn -","- C152 H80 F40 N8 O8 P4 Zn2 -","2","1","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1029","0.0718","","","0.1404","0.1592","","","","","","1.115","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31",""
"1569165","15.8085","0.0007","16.057","0.0008","21.8265","0.0011","69.295","0.004","83.67","0.004","71.644","0.004","4918.8","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Co F20 N4 O4 P2 -","- C76 H40 Co F20 N4 O4 P2 -","- C228 H120 Co3 F60 N12 O12 P6 -","3","1.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1011","0.061","","","0.1956","0.2438","","","","","","1.063","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31",""
"1569166","20.7015","0.0009","14.4358","0.0005","24.8704","0.0012","90","","108.502","0.004","90","","7048.2","0.5","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Co F20 K2 N4 O18 -","- C60 H68 Co F20 K2 N4 O18 -","- C240 H272 Co4 F80 K8 N16 O72 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1214","0.0671","","","0.1897","0.2214","","","","","","1.08","","","","has coordinates","284910","2023-07-05","09:55:31",""
"1569167","20.7537","0.0006","14.4628","0.0003","24.8305","0.0007","90","","108.382","0.002","90","","7072.7","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 F20 K2 N4 O18 Zn -","- C60 H68 F20 K2 N4 O18 Zn -","- C240 H272 F80 K8 N16 O72 Zn4 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.0521","0.0448","","","0.1481","0.1616","","","","","","1.123","","","","has coordinates","284910","2023-07-05","09:55:31",""
"1569168","18.16775","0.00017","13.05007","0.00009","30.7237","0.0002","90","","102.709","0.0008","90","","7105.83","0.1","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H51 Al K N3 O1.5 Si2 -","- C29 H47 Al K N3 O Si2 -","- C232 H376 Al8 K8 N24 O8 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0399","0.0384","","","0.1108","0.1123","","","","","","1.027","","","","has coordinates","284906","2023-07-05","09:49:11",""
"1569169","12.313","0.0003","12.5109","0.0003","19.2634","0.0005","104.783","0.002","105.037","0.002","99.317","0.002","2687.05","0.13","120.1","0.2","120.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H83 Al K N5 O7 Si2 -","- C47 H83 Al K N5 O7 Si2 -","- C94 H166 Al2 K2 N10 O14 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0842","0.0814","","","0.1874","0.1889","","","","","","1.12","","","","has coordinates,has disorder","284906","2023-07-05","09:49:14",""
"1569170","12.7748","0.0006","14.6769","0.0007","19.1675","0.0008","84.046","0.004","88.135","0.004","65.381","0.005","3249.3","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101.61 Al K N5 O3 Si2 -","- C67 H101.612 Al K N5 O3 Si2 -","- C134 H203.224 Al2 K2 N10 O6 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0747","0.0578","","","0.1426","0.1534","","","","","","1.032","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15",""
"1569171","22.07209","0.00013","19.9537","0.00013","24.4522","0.00016","90","","90","","90","","10769.2","0.12","125","7","125","7","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Al K N4 O2 Si2 -","- C54 H86 Al K N4 O2 Si2 -","- C432 H688 Al8 K8 N32 O16 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0929","0.095","","","","","","1.033","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569172","11.59172","0.00014","22.52352","0.00017","24.5925","0.0002","90","","96.0048","0.0009","90","","6385.54","0.11","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Al K N5 O3 Si2 -","- C63 H93 Al K N5 O3 Si2 -","- C252 H372 Al4 K4 N20 O12 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0401","0.0349","","","0.0885","0.0924","","","","","","1.003","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569173","36.4496","0.0007","12.44536","0.00009","20.2703","0.0004","90","","136.513","0.003","90","","6328","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68 H99 Al K N5 O Si2 -","- C68 H99 Al K N5 O Si2 -","- C272 H396 Al4 K4 N20 O4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0248","0.0239","","","0.0599","0.0606","","","","","","1.011","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569174","11.0552","0.0003","11.8345","0.0003","23.9671","0.0007","82.31","0.002","76.873","0.002","80.547","0.002","2997.03","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","1","0.5","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.1016","0.0903","","","0.2267","0.2336","","","","","","1.101","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15",""
"1569175","9.302","0.0008","10.4068","0.0009","12.0732","0.0011","86.046","0.002","82.838","0.002","88.953","0.002","1156.8","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridyl)(η^6^-<i>p</i>-cymene)iodidoruthenium(II) hexafluoridophosphate","","- C20 H22 F6 I N2 P Ru -","- C20 H22 F6 I N2 P Ru -","- C40 H44 F12 I2 N4 P2 Ru2 -","2","1","ZL4053","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(2,2′-Bipyridyl)(η6-p-cymene)iodidoruthenium(II) hexafluoridophosphate","IUCrData","2023","8","5","","","10.1107/S2414314623003929","","","0.71073","MoKα","","0.048","0.032","","","","0.0766","","","","","","1.05","","","","has coordinates,has disorder","283744","2023-05-13","01:45:01",""
"1569176","9.7925","0.0003","7.9648","0.0003","11.8039","0.0004","90","","113.553","0.001","90","","843.95","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-<i>b</i>]quinazolin-9(4<i>H</i>)-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","TK4091","Ettahiri, Walid; Dalbouha, Amal; Baouid, Abdesselam; Alsubari, Abdulsalam; Mague, Joel T.; Taleb, Mustapha; Ramli, Youssef","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one","IUCrData","2023","8","5","","","10.1107/S2414314623004091","","","1.54178","CuKα","","0.0303","0.03","","","0.0799","0.0801","","","","","","1.068","","","","has coordinates","283745","2023-05-13","01:45:24",""
"1569177","25.399","0.002","25.399","0.002","30.418","0.002","90","","90","","120","","16994","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κ<i>N</i>)hexa-<i>octahedro</i>-niobate","","- C30 H52 Cl12 N14 Nb6 S6 -","- C30 H52 Cl12 N14 Nb6 S6 -","- C360 H624 Cl144 N168 Nb72 S72 -","12","0.666667","WM4186","Sperlich, Eric; Köckerling, Martin","Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","IUCrData","2023","8","5","","","10.1107/S241431462300398X","","","0.71073","MoKα","","0.0504","0.0396","","","0.0842","0.0932","","","","","","1.087","","","","has coordinates,has disorder","283746","2023-05-13","01:45:58",""
"1569178","9.8368","0.0014","10.2783","0.0015","13.2857","0.0018","97.689","0.009","108.305","0.008","108.103","0.008","1171.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-<i>b</i>]indole-3(5<i>H</i>)-thione dichloromethane monosolvate","","","- C25 H19 Cl2 N O2 S3 -","- C25 H19 Cl2 N O2 S3 -","- C50 H38 Cl4 N2 O4 S6 -","2","1","BT4137","Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate","IUCrData","2023","8","5","","","10.1107/S2414314623003541","","","1.54178","CuKα","","0.0414","0.0379","","","0.1037","0.1065","","","","","","1.017","","","","has coordinates","283747","2023-05-13","01:46:34",""
"1569179","11.0183","0.0008","14.4087","0.001","17.3579","0.0009","65.994","0.006","87.485","0.005","71.975","0.006","2383.1","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H49 N3 S -","- C54 H49 N3 S -","- C108 H98 N6 S2 -","2","1","","Tabata, Naoki; Uchino, Takumi; Kitamura, Chitoshi; Yoshizawa, Kazunari; Shiota, Yoshihito; Kato, Shin-Ichiro","Site-selective radical reactions of kinetically stable open-shell singlet diradicaloid difluorenoheteroles with tributyltin hydride and azo-based radical initiators.","Chemical science","2023","14","22","5974","5982","10.1039/d3sc00381g","","x-ray","0.71073","MoKα","","0.1642","0.0884","","","0.2055","0.2488","","","","","","0.975","","","","has coordinates,has disorder","284889","2023-07-05","09:38:59",""
"1569180","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Liu, Jiaqi; Wang, Hao; Li, Jing","Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.","Chemical science","2023","14","22","5912","5917","10.1039/d3sc01134h","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284897","2023-07-05","09:43:44",""
"1569181","8.553","0.002","11.731","0.003","15.988","0.006","94.57","0.02","104.856","0.01","96.38","0.013","1531.1","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H80 O4 -","- C84 H80 O4 -","- C84 H80 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.0748","0.0501","","","0.1345","0.1509","","","","","","1.048","","","","has coordinates,has disorder","284894","2023-07-05","09:42:35",""
"1569182","10.2129","0.0003","14.2075","0.0004","16.4062","0.0004","64.469","0.002","74.622","0.002","69.798","0.002","1996.82","0.1","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.1188","0.0742","","","0.2098","0.2472","","","","","","1.026","","","","has coordinates","284894","2023-07-05","09:42:36",""
"1569183","9.5464","0.0008","11.1446","0.0007","19.3904","0.0008","87.388","0.004","88.255","0.006","79.15","0.007","2023.5","0.2","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H86 Cl6 O4 -","- C98 H84 O4 -","- C98 H84 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","x-ray","1.54184","CuKα","","0.1176","0.081","","","0.2385","0.2818","","","","","","0.948","","","","has coordinates","284894","2023-07-05","09:42:36",""
"1569184","8.6954","0.0002","15.609","0.0003","17.0505","0.0004","103.955","0.001","92.887","0.001","99.039","0.001","2208.59","0.09","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C119 H116 O4 -","- C119 H116 O4 -","- C119 H116 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.063","0.0456","","","0.1159","0.1264","","","","","","1.046","","","","has coordinates,has disorder","284894","2023-07-05","09:42:36",""
"1569185","7.349","0.002","11.275","0.003","17.533","0.004","90","","90","","90","","1452.8","0.6","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Liang, Ren-Xiao; Tang, Heng-Wei; Liu, Jia-Liang; Xu, Jian-Feng; Chen, Ling-Jia; Jia, Yi-Xia","Cobalt-catalyzed enantioselective desymmetrizing reductive cyclization of alkynyl cyclodiketones.","Chemical science","2023","14","23","6393","6398","10.1039/d3sc00119a","","","0.71073","MoKα","","0.0285","0.028","","","0.074","0.0748","","","","","","1.086","","","","has coordinates,has disorder","284909","2023-07-05","09:55:10",""
"1569186","8.874","0.017","16.683","0.012","16.979","0.012","118.128","0.004","102.945","0.004","94.354","0.006","2112","5","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C92 H74 Br4 Cl4 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0876","0.0666","","","0.186","0.1993","","","","","","1.031","","","","has coordinates,has disorder","284830","2023-07-05","08:28:05",""
"1569187","8.889","0.0018","14.156","0.003","16.604","0.003","99.93","0.003","100.826","0.003","95.15","0.003","2005.2","0.7","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H41 N Ni O P2 S2 -","- C47 H41 N Ni O P2 S2 -","- C94 H82 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0462","0.036","","","0.0871","0.0941","","","","","","1.037","","","","has coordinates","284830","2023-07-05","08:28:31",""
"1569188","4.8187","0.0004","15.7239","0.0018","22.4752","0.0016","90","","91.507","0.005","90","","1702.3","0.3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F N3 O2 -","- C22 H16 F N3 O2 -","- C88 H64 F4 N12 O8 -","4","1","","Tacke, Eléonore; Hoang, Minh-Duc; Tatoueix, Kevin; Keromnes, Benoît; Van Eslande, Elsa; Durand, Philippe; Pieters, Gregory; Chevalier, Arnaud","Unprecedented perspectives on the application of CinNapht fluorophores provided by a ""late-stage"" functionalization strategy.","Chemical science","2023","14","22","6000","6010","10.1039/d3sc01365k","","x-ray","1.54187","CuKα","","0.2014","0.0934","","","0.2397","0.3593","","","","","","0.933","","","","has coordinates","284888","2023-07-05","09:38:28",""
"1569189","9.9901","0.0002","9.9901","0.0002","15.6499","0.0004","90","","90","","90","","1561.89","0.06","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C9 H21 Br3 N4 -","- C9 H21 Br3 N4 -","- C36 H84 Br12 N16 -","4","0.5","","Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F.","Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts","Catalysis Science & Technology","2023","13","11","3245","3257","10.1039/D3CY00270E","","x-ray","0.71073","MoKα","","0.0551","0.036","","","0.0514","0.0556","","","","","","1.06","","","","has coordinates","284829","2023-07-05","08:27:18",""
"1569190","11.8624","0.0004","4.0641","0.0002","26.0523","0.0009","90","","94.013","0.003","90","","1252.9","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O6 -","- C32 H28 N2 O6 -","- C64 H56 N4 O12 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0517","0.0445","","","0.1207","0.1263","","","","","","1.093","","","","has coordinates","284908","2023-07-05","09:55:01",""
"1569191","11.9476","0.0002","5.8409","0.0001","15.0139","0.0003","90","","95.536","0.002","90","","1042.85","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0432","0.0395","","","0.1022","0.1054","","","","","","1.049","","","","has coordinates","284908","2023-07-05","09:55:02",""
"1569192","22.5871","0.0009","6.0324","0.0002","25.2819","0.001","90","","114.529","0.005","90","","3133.9","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N6 O2 -","- C36 H40 N6 O2 -","- C144 H160 N24 O8 -","4","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0556","0.0461","","","0.1219","0.1279","","","","","","1.054","","","","has coordinates","284908","2023-07-05","09:55:02",""
"1569193","8.5815","0.0002","23.7567","0.0005","38.1133","0.0012","90","","90","","90","","7770.1","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","1","0.125","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","x-ray","1.54184","CuKα","","0.1221","0.0915","","","0.239","0.2588","","","","","","1.13","","","","has coordinates,has disorder","284908","2023-07-05","09:55:02",""
"1569194","5.665","0.0001","11.8408","0.0002","12.1314","0.0002","107.953","0.001","101.48","0.001","92.508","0.001","753.81","0.02","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","1-(3,5-dimethoxybenzyl)-4-phenyl-1H-1,2,3-triazole","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","","Lennox, Cameron B.; Borchers, Tristan H.; Gonnet, Lori; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","Direct mechanocatalysis by resonant acoustic mixing (RAM).","Chemical science","2023","14","27","7475","7481","10.1039/d3sc01591b","","","1.54178","CuKα","","0.0675","0.0504","","","0.1332","0.1604","","","","","","0.963","","","","has coordinates","286034","2023-09-05","19:07:05",""
"1569195","13.2708","0.0001","13.2708","0.0001","15.0958","0.0001","90","","90","","120","","2302.4","0.03","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- Al7.44 Ca2.62 K2.63 Mg0.6 Na0.13 O100.8 Si28.56 -","- Al7.44 Ca2.6236 K2.63 Mg0.6 Na0.132 O100.8 Si28.56 -","- Al7.44 Ca2.6236 K2.63 Mg0.6 Na0.132 O100.8 Si28.56 -","1","0.0416667","TI5026","Giacobbe, Carlotta; Moliterni, Anna; Di Giuseppe, Dario; Malferrari, Daniele; Wright, Jonathan P.; Mattioli, Michele; Ranieri, Simona; Giannini, Cinzia; Fornasini, Laura; Mugnaioli, Enrico; Ballirano, Paolo; Gualtieri, Alessandro F.","The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey).","IUCrJ","2023","","","","","10.1107/S2052252523003500","","x-ray","0.3257","synchrotron","","0.0383","0.0379","","","0.1137","0.1141","","","","","","1.089","","","","has coordinates","283892","2023-05-19","02:12:52",""
"1569196","8.8872","0.0019","8.8922","0.0019","11.772","0.003","94.374","0.006","110.139","0.006","93.747","0.006","866.7","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","BH4074","Odedokun, Omobola A.; Ikotun, Adebomi A.; Ajaelu, Chijioke J.; Bhuvanesh, Nattamai","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","IUCrData","2023","8","5","","","10.1107/S2414314623004182","","","0.71073","MoKα","","0.0571","0.0435","","","0.1009","0.1088","","","","","","1.025","","","","has coordinates","283905","2023-05-20","01:57:57",""
"1569197","9.26014","0.00012","11.7541","0.0002","21.9162","0.0003","90","","90","","90","","2385.46","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O2 S -","- C24 H31 N3 O2 S -","- C96 H124 N12 O8 S4 -","4","1","","Wang, Rui; Wang, Chuan","Asymmetric imino-acylation of alkenes enabled by HAT-photo/nickel cocatalysis.","Chemical science","2023","14","23","6449","6456","10.1039/d3sc01945d","","x-ray","1.54184","CuKα","","0.043","0.0408","","","0.1181","0.1214","","","","","","1.021","","","","has coordinates","284903","2023-07-05","09:47:26",""
"1569198","5.47055","0.00006","23.5365","0.0003","14.44919","0.00014","90","","94.2334","0.001","90","","1855.37","0.04","150","2","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 F6 N O4 S -","- C17 H15 F6 N O4 S -","- C68 H60 F24 N4 O16 S4 -","4","2","","Clark, Ella F.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Buchard, Antoine","Polymers from sugars and isothiocyanates: ring-opening copolymerization of a d-xylose anhydrosugar oxetane","Polymer Chemistry","2023","14","23","2838","2847","10.1039/D3PY00443K","","x-ray","1.54184","CuKα","","0.0343","0.0318","","","0.0795","0.0809","","","","","","1.011","","","","has coordinates","284980","2023-07-05","11:04:29",""
"1569199","10.612","0.0007","13.2639","0.0008","13.3533","0.0008","90","","104.195","0.002","90","","1822.2","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 Br O3 -","- C22 H19 Br O3 -","- C88 H76 Br4 O12 -","4","2","","Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.","Chemical science","2023","14","24","6585","6591","10.1039/d3sc01373a","","","0.71073","MoKα","","0.041","0.0318","","","0.0663","0.0688","","","","","","1.019","","","","has coordinates","284887","2023-07-05","09:38:08",""
"1569200","9.3235","0.0017","9.838","0.002","17.181","0.004","90","","90","","90","","1575.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Duran, Jordi; Mateos, Javier; Moyano, Albert; Companyó, Xavier","Catalytic asymmetric defluorinative allylation of silyl enol ethers.","Chemical science","2023","14","26","7147","7153","10.1039/d3sc01498c","","","0.71073","MoKα","","0.0348","0.0253","","","0.049","0.0524","","","","","","1.024","","","","has coordinates","286053","2023-09-05","19:13:30",""
"1569201","10.2482","0.0003","23.7215","0.0005","11.0876","0.0003","90","","115.082","0.003","90","","2441.25","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dyn[4]arene","","","- C32 H38 O30 S8 -","- C32 H38 O30 S8 -","- C64 H76 O60 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.0591","0.0578","","","0.166","0.1695","","","","","","1.143","","","","has coordinates,has disorder","286055","2023-09-05","19:15:39",""
"1569202","10.7495","0.0018","11.9064","0.0017","19.424","0.003","90","","98.589","0.014","90","","2458.2","0.7","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","dyn[4]arene","","","- C37 H32.5 N2 O17.75 S8 -","- C37 H32.5 N2 O17.75 S8 -","- C74 H65 N4 O35.5 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.1547","0.0917","","","0.2248","0.2683","","","","","","1.02","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1569203","10.644","0.002","11.901","0.002","22.63","0.005","101.4","0.03","90.57","0.03","99.4","0.03","2769.7","1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","dyn[4]arene","","","- C36 H22 Co N2 O28 S8 -","- C36 H22 Co N2 O28 S8 -","- C72 H44 Co2 N4 O56 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.82655","Synchrotron","","0.1389","0.1353","","","0.4438","0.4583","","","","","","2.503","","","","has coordinates,has disorder","286055","2023-09-05","19:15:40",""
"1569204","49.4947","0.0007","49.4947","0.0007","35.6973","0.0005","90","","90","","120","","75732.7","1.8","100","2","100","","","","","","","","","4","P 6 2 2","P 6 2","177","","","","- C192 H96 O64 S16 -","- C192 H96 O64 S16 -","- C1152 H576 O384 S96 -","6","0.5","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.97625","Synchrotron","","0.1871","0.1083","","","0.274","0.3616","","","","","","0.918","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1569205","7.9192","0.0003","9.0455","0.0003","17.8728","0.0006","90","","92.107","0.003","90","","1279.42","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 O10 Zn2 -","- C24 H26 N6 O10 Zn2 -","- C48 H52 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0361","0.031","","","0.083","0.0852","","","","","","1.065","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569206","9.0073","0.00005","13.58036","0.00007","19.66015","0.0001","90","","99.5336","0.0005","90","","2371.66","0.02","300.51","0.1","300.51","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N6 O8 Zn2 -","- C22 H22 N6 O8 Zn2 -","- C88 H88 N24 O32 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0714","0.0719","","","","","","1.047","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569207","8.3971","0.0001","15.8016","0.0001","10.0739","0.0001","90","","112.858","0.001","90","","1231.71","0.02","276","3","276","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N6 O10 Zn2 -","- C22 H22 N6 O10 Zn2 -","- C44 H44 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0242","0.0233","","","0.0633","0.0635","","","","","","1.054","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569208","7.9761","0.0001","8.7999","0.0001","10.5943","0.0002","98.605","0.001","97.133","0.001","98.842","0.001","718.204","0.019","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","1","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0225","0.0218","","","0.0547","0.0552","","","","","","1.055","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569209","8.5081","0.0001","17.0816","0.0001","9.7088","0.0001","90","","104.246","0.001","90","","1367.61","0.02","271.26","0.13","271.26","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23.84 Br2 N4 O10 Zn2 -","- C22 H24 Br2 N6 O10 Zn2 -","- C44 H48 Br4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0298","0.0289","","","0.0795","0.0822","","","","","","1.08","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569210","8.37106","0.00007","17.24574","0.00011","9.47691","0.00008","90","","105.366","0.0008","90","","1319.23","0.018","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N6 O10 Zn2 -","- C22 H24 Cl2 N6 O10 Zn2 -","- C44 H48 Cl4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0229","0.0222","","","0.0546","0.0551","","","","","","1.058","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569211","8.1441","0.0001","17.9862","0.0002","9.4493","0.0001","90","","109.211","0.001","90","","1307.07","0.03","272.1","0.8","272.1","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N6 O10 Zn2 -","- C22 H24 F2 N6 O10 Zn2 -","- C44 H48 F4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.031","0.0302","","","0.0725","0.0731","","","","","","1.085","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569212","19.9701","0.0003","17.0535","0.0003","8.023","0.0002","90","","97.808","0.002","90","","2706.98","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 O9 Zn2 -","- C25 H28 N6 O9 Zn2 -","- C100 H112 N24 O36 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0512","0.0445","","","0.119","0.1253","","","","","","1.043","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569213","13.8755","0.0013","7.1896","0.0005","14.6846","0.0013","90","","93.679","0.003","90","","1461.9","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Wang, Yulong; Shen, Shenyu; He, Chonglong; Zhou, Youkang; Zhang, Keyuan; Rao, Bin; Han, Tian; Su, Yaqiong; Duan, Xin-Hua; Liu, Le","Cu(ii)-mediated direct intramolecular cyclopropanation of distal olefinic acetate: access to cyclopropane-fused γ-lactones.","Chemical science","2023","14","24","6663","6668","10.1039/d3sc01752d","","","0.71073","MoKα","","0.0606","0.0403","","","0.0931","0.105","","","","","","1.015","","","","has coordinates","284881","2023-07-05","09:33:43",""
"1569214","7.9842","0.0004","21.6573","0.0012","21.6791","0.0011","90","","90","","90","","3748.7","0.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cycloheptanone","3-phenyl-3-(2,4,6-trimethoxyphenyl)cycloheptan-1-one","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0734","0.0688","","","0.1436","0.1459","","","","","","1.289","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569215","8.0064","0.0007","24.8727","0.0017","10.4677","0.0008","90","","110.575","0.003","90","","1951.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5a,5b-diphenyldodecahydrocyclobuta[1,2:3,4]di[7]annulene-1,10-dione","","- C26 H28 O2 -","- C26 H28 O2 -","- C104 H112 O8 -","4","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0785","0.0678","","","0.1488","0.1542","","","","","","1.178","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569216","15.808","0.003","15.808","0.003","7.9627","0.0018","90","","90","","90","","1989.8","0.7","120","2","120","2","","","","","","","","5","P 42","P 4c","77","","","","- C6 H16 B F4 N -","- C6 H16 B F4 N -","- C48 H128 B8 F32 N8 -","8","2","","Sahoo, Supriya; Kothavade, Premkumar Anil; Naphade, Dipti R.; Torris, Arun; Praveenkumar, Balu; Zaręba, Jan K; Anthopoulos, Thomas D.; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy","3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting.","Materials horizons","2023","10","8","3153","3161","10.1039/d3mh00444a","","","0.71073","MoKα","","0.0932","0.0896","","","0.2317","0.2359","","","","","","1.805","","","","has coordinates","285537","2023-08-05","09:38:44",""
"1569217","15.93","0.03","15.93","0.03","8.241","0.016","90","","90","","90","","2091","7","298","2","298","2","","","","","","","","5","P 42","P 4c","77","","","","- C6 H16 B F4 N -","- C6 H16 B F4 N -","- C48 H128 B8 F32 N8 -","8","2","","Sahoo, Supriya; Kothavade, Premkumar Anil; Naphade, Dipti R.; Torris, Arun; Praveenkumar, Balu; Zaręba, Jan K; Anthopoulos, Thomas D.; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy","3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting.","Materials horizons","2023","10","8","3153","3161","10.1039/d3mh00444a","","","0.71073","MoKα","","0.1628","0.085","","","0.2143","0.2837","","","","","","1.023","","","","has coordinates,has disorder","285537","2023-08-05","09:38:48",""
"1569218","8.8993","0.0006","18.8352","0.0012","20.4134","0.0016","90","","102.59","","90","","3339.4","0.4","60","2","60","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H0.25 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.097","0.071","","","0.1995","0.2202","","","","","","1.04","","","","has coordinates","284902","2023-07-05","09:46:53",""
"1569219","8.9674","0.0011","19.1331","0.0019","20.71","0.002","90","","102.5","","90","","3469.1","0.6","270","2","270","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0965","0.061","","","0.1596","0.1829","","","","","","1.051","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569220","8.9631","0.0004","18.8914","0.001","20.4693","0.001","90","","102.65","","90","","3381.8","0.3","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0798","0.063","","","0.1762","0.1896","","","","","","1.058","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569221","8.8187","0.0005","19.2165","0.0011","20.7495","0.001","90","","101.652","0.002","90","","3443.8","0.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0597","0.057","","","0.139","0.1411","","","","","","1.06","","","","has coordinates,has disorder","284902","2023-07-05","09:46:54",""
"1569222","8.929","0.002","18.861","0.004","20.414","0.005","90","","102.505","0.007","90","","3356.4","1.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0719","0.0686","","","0.1801","0.1832","","","","","","1.03","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569223","9.06","0.006","18.758","0.012","20.224","0.011","90","","102.25","0.02","90","","3359","4","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0931","0.0666","","","0.1687","0.1935","","","","","","1.063","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569224","9.8832","0.0012","10.4913","0.0012","16.8579","0.0014","75.651","0.009","87.092","0.008","71.514","0.01","1605.3","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 Br2 F5 N2 Pd -","- C27 H41 Br2 F5 N2 Pd -","- C54 H82 Br4 F10 N4 Pd2 -","2","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","1.54184","CuKα","","0.0833","0.0626","","","0.1674","0.2009","","","","","","1.024","","","","has coordinates","284882","2023-07-05","09:34:01",""
"1569225","10.093","0.0007","11.7688","0.0008","14.7684","0.0009","107.49","0.006","107.025","0.006","100.307","0.006","1529.8","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F5 N2 O2 Pd -","- C14 H11 F5 N2 O2 Pd -","- C56 H44 F20 N8 O8 Pd4 -","4","2","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0718","0.0434","","","0.0829","0.1029","","","","","","1.039","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569226","10.3513","0.0004","9.1559","0.0003","28.7456","0.0008","90","","90","","90","","2724.38","0.16","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F5 N2 O2 Pd -","- C11 H9 F5 N2 O2 Pd -","- C88 H72 F40 N16 O16 Pd8 -","8","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","","0.71073","MoKα","","0.0694","0.0384","","","0.0716","0.0869","","","","","","1.079","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569227","18.3972","0.0005","12.8302","0.0004","19.2798","0.0005","90","","92.492","0.002","90","","4546.5","0.2","298","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H82 N4 O6 Pd -","- C40 H82 N4 O6 Pd -","- C160 H328 N16 O24 Pd4 -","4","0.5","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.1167","0.1284","","","","","","1.056","","","","has coordinates,has disorder","284882","2023-07-05","09:34:02",""
"1569228","9.8649","0.0003","34.9214","0.0014","13.1305","0.0005","90","","109.505","0.004","90","","4263.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.14 H11.43 F11.43 N2.29 Pd1.14 -","- C25.1429 H11.4286 F11.4286 N2.28571 Pd1.14286 -","- C176 H80 F80 N16 Pd8 -","7","1.75","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0689","0.0394","","","0.0778","0.0971","","","","","","1.027","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569229","28.5552","0.0004","13.9204","0.0002","16.0184","0.0002","90","","103.054","0.002","90","","6202.76","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe N6 -","- C28 H20 Fe N6 -","- C224 H160 Fe8 N48 -","8","1","","Tuczek, Felix; Grunwald, Jan; Torres, Jorge; Buchholz, Axel; Nather, Christian; Spieker, Lea; Gruber, Manuel; Rohlf, Sebastian; Thakur, Sangeeta; Wende, Heiko; Plass, Winfried; Kuch, Wolfgang","Defying the inverse energy gap law: a vacuum-evaporable Fe(II) low-spin complex with a long-lived LIESST state","Chemical Science","2023","","","","","10.1039/D3SC00561E","","x-ray","1.54184","CuKα","","0.0565","0.0543","","","0.1644","0.1667","","","","","","1.086","","","","has coordinates","284031","2023-05-26","22:26:52",""
"1569230","9.9527","0.0001","13.2457","0.0001","19.3402","0.0002","90","","95.088","0.001","90","","2539.58","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cl2 N6 Zn -","- C29 H22 Cl2 N6 Zn -","- C116 H88 Cl8 N24 Zn4 -","4","1","","Tuczek, Felix; Grunwald, Jan; Torres, Jorge; Buchholz, Axel; Nather, Christian; Spieker, Lea; Gruber, Manuel; Rohlf, Sebastian; Thakur, Sangeeta; Wende, Heiko; Plass, Winfried; Kuch, Wolfgang","Defying the inverse energy gap law: a vacuum-evaporable Fe(II) low-spin complex with a long-lived LIESST state","Chemical Science","2023","","","","","10.1039/D3SC00561E","","x-ray","1.54184","CuKα","","0.0392","0.039","","","0.1113","0.1114","","","","","","1.061","","","","has coordinates","284031","2023-05-26","22:26:52",""
"1569231","9.1239","0.0002","22.1397","0.0006","9.5463","0.0003","90","","101.799","0.003","90","","1887.61","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Picolylammonium perchlorate monohydrate","Pyridin-4-ylmethanaminium perchlorate monohydrate","","- C6 H11 Cl N2 O5 -","- C6 H11 Cl N2 O5 -","- C48 H88 Cl8 N16 O40 -","8","2","WM4189","Seidel, Rüdiger W.; Kolev, Tsonko M.","Pyridin-4-ylmethanaminium perchlorate monohydrate","IUCrData","2023","8","5","","","10.1107/S2414314623004595","","x-ray","0.71073","MoKα","","0.0736","0.0434","","","0.0887","0.1013","","","","","","1.041","","","","has coordinates","284041","2023-05-27","02:17:20",""
"1569232","15.9812","0.0002","16.2986","0.0001","18.9525","0.0002","90","","111.355","0.001","90","","4597.64","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Fe N3 O P -","- C52 H68 Fe N3 O P -","- C208 H272 Fe4 N12 O4 P4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","1.54184","CuKα","","0.0392","0.0352","","","0.0927","0.0953","","","","","","1.085","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569233","9.805","0.0001","14.5687","0.0002","17.0188","0.0002","104.34","0.001","91.146","0.001","109.034","0.001","2213.03","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 Cl2 Fe N3 P Se -","- C48 H58 Cl2 Fe N3 P Se -","- C96 H116 Cl4 Fe2 N6 P2 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0473","0.0361","","","0.0804","0.0838","","","","","","1.073","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569234","10.26323","0.00012","24.3533","0.0002","16.73625","0.00017","90","","97.7035","0.0011","90","","4145.36","0.07","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H68 Fe N3 P Te -","- C41 H68 Fe N3 P Te -","- C164 H272 Fe4 N12 P4 Te4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0617","0.048","","","0.1401","0.1501","","","","","","1.078","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569235","10.5924","0.0002","20.9429","0.0003","15.9207","0.0003","90","","104.292","0.002","90","","3422.47","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H100 Fe2 K2 N6 O Te -","- C69 H100 Fe2 K2 N6 O Te -","- C138 H200 Fe4 K4 N12 O2 Te2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","","0.71073","MoKα","","0.0275","0.0253","","","0.0567","0.0574","","","","","","1.048","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569236","9.8215","0.0001","24.9832","0.0003","19.1363","0.0003","90","","101.22","0.001","90","","4605.78","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Fe N3 P S -","- C54 H64 Fe N3 P S -","- C216 H256 Fe4 N12 P4 S4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1529","0.159","","","","","","1.028","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569237","23.3804","0.0002","13.8531","0.0001","23.0007","0.0001","90","","98.825","0.001","90","","7361.53","0.09","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H108 Fe2 K2 N6 O -","- C78 H108 Fe2 K2 N6 O -","- C312 H432 Fe8 K8 N24 O4 -","4","0.5","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0415","0.0377","","","0.1044","0.1067","","","","","","1.037","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569238","14.1307","0.0001","15.1864","0.0001","16.7593","0.0001","104.573","0.001","102.792","0.001","92.504","0.001","3375.48","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 Se -","- C66 H102 Fe2 K2 N6 O2 Se -","- C132 H204 Fe4 K4 N12 O4 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0714","0.0743","","","","","","1.039","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569239","14.1136","0.0001","15.1869","0.0001","16.7298","0.0001","104.896","0.001","102.806","0.001","92.236","0.001","3361.61","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 S -","- C66 H102 Fe2 K2 N6 O2 S -","- C132 H204 Fe4 K4 N12 O4 S2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0772","0.0798","","","","","","1.054","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569240","28.1786","0.0002","31.8205","0.0004","36.1804","0.0005","90","","91.8449","0.001","90","","32424.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H120 As8 Au13 Cl4 -","- C144 H120 As8 Au13 Cl4 -","- C1152 H960 As64 Au104 Cl32 -","8","2","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au<sub>13</sub>(AsPh<sub>3</sub>)<sub>8</sub>Cl<sub>4</sub>]<sup>+</sup>: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.1543","0.1337","","","0.3421","0.3562","","","","","","1.077","","","","has coordinates","284885","2023-07-05","09:36:35",""
"1569241","13.2861","0.0004","13.9323","0.0004","14.0077","0.0004","83.702","0.002","75.517","0.003","86.706","0.002","2494.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 As3 Au Cl -","- C54 H45 As3 Au Cl -","- C108 H90 As6 Au2 Cl2 -","2","1","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au<sub>13</sub>(AsPh<sub>3</sub>)<sub>8</sub>Cl<sub>4</sub>]<sup>+</sup>: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.0288","0.0267","","","0.065","0.066","","","","","","1.055","","","","has coordinates","284885","2023-07-05","09:36:44",""
"1569242","5.7781","0.0002","10.145","0.0004","14.0978","0.0004","90","","90","","90","","826.4","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Chang, Kai-Hsin; Peng, Yu-Chiang; Su, Kuan-Hsuan; Lin, Yi-Hsien; Liu, Jiun-Chi; Liu, Ying-Hsuan; Hsu, Chao-Hsien; Yang, Hsiao-Ching; Chou, Pi-Tai","Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction.","Chemical science","2023","14","26","7237","7247","10.1039/d3sc01441j","","","0.71073","MoKα","","0.0434","0.0393","","","0.1069","0.1111","","","","","","1.07","","","","has coordinates","286058","2023-09-05","19:17:20",""
"1569243","14.2369","0.0003","9.021","0.0002","16.3159","0.0005","90","","109.044","0.003","90","","1980.78","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14.75 H23.55 Fe N0.95 P5 -","- C14.75 H23.55 Fe N0.95 P5 -","- C59 H94.2 Fe4 N3.8 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0385","0.0328","","","0.0851","0.0883","","","","","","1.051","","","","has coordinates,has disorder","286051","2023-09-05","19:13:04",""
"1569244","11.2089","0.0005","11.4407","0.0004","18.1308","0.0008","90","","105.764","0.004","90","","2237.6","0.17","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H30 Br Fe P5 -","- C17 H29.5 Br Fe P5 -","- C68 H118 Br4 Fe4 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0483","0.0349","","","0.0752","0.0807","","","","","","1.064","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569245","8.8375","0.0004","14.5973","0.0007","16.2499","0.0008","63.684","0.005","89.773","0.004","81.732","0.004","1855.28","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Fe2 P10 -","- C28 H48 Fe2 P10 -","- C56 H96 Fe4 P20 -","2","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0434","0.0356","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","286051","2023-09-05","19:13:05",""
"1569246","11.7026","0.0006","14.3826","0.0005","18.9471","0.0007","85.336","0.003","85.053","0.004","88.352","0.004","3165.9","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Fe P6 -","- C29 H40 Fe P6 -","- C116 H160 Fe4 P24 -","4","2","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0737","0.0626","","","0.1432","0.1471","","","","","","1.068","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569247","15.5101","0.0003","12.8109","0.0002","24.2981","0.0003","90","","101.449","0.001","90","","4731.92","0.13","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H76 Cl Fe2 P10 -","- C31 H54 Fe2 P10 -","- C124 H216 Fe8 P40 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0687","0.0458","","","0.1141","0.1252","","","","","","1.026","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569248","23.7639","0.0003","10.4977","0.0002","29.5824","0.0004","90","","99.209","0.001","90","","7284.69","0.19","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H92 N5 O27.71 S2 W7 -","- C54 H92 N5 O27.7072 S2 W7 -","- C216 H368 N20 O110.829 S8 W28 -","4","1","","Shiels, Dominic; Pascual-Borràs, Magda; Waddell, Paul G.; Wills, Corinne; Poblet, Josep-Maria; Errington, R. John","A thirty-year old mystery solved: identification of a new heptatungstate from non-aqueous solutions.","Chemical communications (Cambridge, England)","2023","59","51","7919","7922","10.1039/d3cc02061d","","x-ray","1.54184","CuKα","","0.0492","0.037","","","0.0889","0.0974","","","","","","1.016","","","","has coordinates,has disorder","284838","2023-07-05","08:47:40",""
"1569249","32.1867","0.0008","17.5143","0.0004","28.2674","0.0007","90","","90.691","0.002","90","","15934","0.7","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H261 N10 O43 W13 -","- C118 H261 N10 O43 W13 -","- C472 H1044 N40 O172 W52 -","4","1","","Shiels, Dominic; Pascual-Borràs, Magda; Waddell, Paul G.; Wills, Corinne; Poblet, Josep-Maria; Errington, R. John","A thirty-year old mystery solved: identification of a new heptatungstate from non-aqueous solutions.","Chemical communications (Cambridge, England)","2023","59","51","7919","7922","10.1039/d3cc02061d","","x-ray","0.71073","MoKα","","0.1213","0.0514","","","0.0869","0.1119","","","","","","1.069","","","","has coordinates,has disorder","284838","2023-07-05","08:47:43",""
"1569250","9.9799","0.0003","15.196","0.0006","16.9612","0.0007","113.174","0.004","97.818","0.003","97.371","0.003","2295.56","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H45 Cl3 O6 S4 -","- C47 H45 Cl3 O6 S4 -","- C94 H90 Cl6 O12 S8 -","2","1","","Qin, Wenjie; Ni, Qian; Jiao, Wenjun; Ma, Yuanhong","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed regio- and stereoselective thiosulfonylation of terminal alkynes with thiosulfonates.","Chemical communications (Cambridge, England)","2023","59","51","7951","7954","10.1039/d3cc02151c","","x-ray","1.54184","CuKα","","0.09","0.0661","","","0.1733","0.1859","","","","","","1.038","","","","has coordinates","284832","2023-07-05","08:45:02",""
"1569251","11.2557","0.0008","20.5955","0.0016","17.0359","0.0013","90","","101.483","0.003","90","","3870.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 I2 Mo N3 P3 -","- C30 H60 I2 Mo N3 P3 -","- C120 H240 I8 Mo4 N12 P12 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0493","0.0425","","","0.1049","0.1097","","","","","","1.032","","","","has coordinates","284833","2023-07-05","08:45:35",""
"1569252","32.1147","0.0011","12.0242","0.0004","19.6739","0.0007","90","","103.547","0.002","90","","7385.8","0.4","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H46 I2 Mo N3 P3 -","- C31 H46 I2 Mo N3 P3 -","- C248 H368 I16 Mo8 N24 P24 -","8","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.084","0.0628","","","0.1643","0.1896","","","","","","1.049","","","","has coordinates","284833","2023-07-05","08:45:36",""
"1569253","25.9591","0.0003","13.17384","0.00015","14.86566","0.00017","90","","90","","90","","5083.77","0.1","170","2","170","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H33 I Mo N2 O3 P2 -","- C21 H33 I Mo N2 O3 P2 -","- C168 H264 I8 Mo8 N16 O24 P16 -","8","0.5","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.0378","0.0374","","","0.1007","0.101","","","","","","1.087","","","","has coordinates,has disorder","284833","2023-07-05","08:45:36",""
"1569254","11.1871","0.0003","18.9167","0.0005","22.6936","0.0006","90","","90","","90","","4802.5","0.2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H69 I3 Mo N2 Na O7 P2 -","- C36 H69 I3 Mo N2 Na O7 P2 -","- C144 H276 I12 Mo4 N8 Na4 O28 P8 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.023","0.022","","","0.0557","0.0561","","","","","","1.032","","","","has coordinates,has disorder","284833","2023-07-05","08:45:36",""
"1569255","17.0447","0.0019","12.5657","0.0013","16.0127","0.0017","90","","105.891","0.002","90","","3298.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 I2 Mo N3 P3 -","- C26 H44 I2 Mo N3 P3 -","- C104 H176 I8 Mo4 N12 P12 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0745","0.0508","","","0.1123","0.1261","","","","","","1.013","","","","has coordinates","284833","2023-07-05","08:45:36",""
"1569256","12.818","0.007","6.851","0.003","12.453","0.005","90","","90","","90","","1093.6","0.9","274","2","274","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I N P -","- C8 H13 I N P -","- C32 H52 I4 N4 P4 -","4","0.5","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0444","0.0349","","","0.0843","0.0907","","","","","","1.066","","","","has coordinates","284833","2023-07-05","08:45:36",""
"1569257","16.9776","0.0017","14.3793","0.0004","26.623","0.003","90","","143.57","0.02","90","","3859.6","1.9","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 Bi4 O16.3 -","- C36 H20 Bi4 O16.2938 -","- C144 H80 Bi16 O65.1752 -","4","1","","Gao, Zengqiang; Hou, Man; Shi, Yongxia; Li, Li; Sun, Qisheng; Yang, Shuyuan; Jiang, Zhiqiang; Yang, Wenjuan; Zhang, Zhicheng; Hu, Wenping","A conductive catecholate-based framework coordinated with unsaturated bismuth boosts CO<sub>2</sub> electroreduction to formate.","Chemical science","2023","14","25","6860","6866","10.1039/d3sc01876h","","x-ray","1.54184","CuKα","","0.0664","0.0612","","","0.1756","0.1804","","","","","","1.025","","","","has coordinates,has disorder","284898","2023-07-05","09:44:38",""
"1569258","8.0518","0.0002","17.65","0.0004","26.8891","0.0006","90","","90","","90","","3821.32","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 F N3 O S -","- C21 H20 F N3 O S -","- C168 H160 F8 N24 O8 S8 -","8","1","","Zhang, Wen-Hui; Chen, Zi-Yue; Liu, Ren-Ming; Liu, Xiong-Wei; Pan, Bo-Wen; Zhou, Jian; Zhou, Ying; Tian, You-Ping; Liu, Xiong-Li","Trimethylindolenines as C–N synthons for the assembly of spiro[oxindole-thioxoimidazolidine-indoline] hybrids in formal [3+2] cycloadditions","New Journal of Chemistry","2023","47","26","12296","12303","10.1039/D3NJ00901G","","x-ray","1.54178","CuKα","","0.0542","0.0512","","","0.1384","0.1418","","","","","","1.036","","","","has coordinates","284941","2023-07-05","10:34:47",""
"1569259","10.8353","0.0002","13.3587","0.0002","30.3697","0.0004","90","","91.838","0.001","90","","4393.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methoxyphenyl)-<i>N</i>'-(2-oxoindolin-3-ylidene)-1-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C25 H19 N5 O3 -","- C25 H19 N5 O3 -","- C200 H152 N40 O24 -","8","2","HB4430","Abdel-Wahab, Bakr F.; Farahat, Abdelbasset A.; Bekheit, Mohamed S.; Yousif, Emad; Kariuki, Benson M.; El-Hiti, Gamal A.","(E)-5-(4-Methoxyphenyl)-N′-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide","IUCrData","2023","8","5","","","10.1107/S2414314623004558","","","1.54184","CuKα","","0.0517","0.0415","","","0.112","0.1222","","","","","","1.021","","","","has coordinates,has disorder","284118","2023-06-01","01:55:49",""
"1569260","10.7816","0.0003","16.045","0.0005","21.2485","0.0007","90","","100.265","0.003","90","","3617","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl5 N O Ru -","- C36 H46 Cl5 N O Ru -","- C144 H184 Cl20 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Purohit, Vishal; Grela, Karol; Kajetanowicz, Anna","Aza-Claisen rearrangement as a key step in synthesis of specialised anilines used in the production of efficient ethenolysis catalysts","Catalysis Science & Technology","2023","13","12","3682","3688","10.1039/D3CY00395G","","x-ray","0.71073","MoKα","","0.037","0.03","","","0.0688","0.0736","","","","","","1.058","","","","has coordinates","284831","2023-07-05","08:29:43",""
"1569261","10.7492","0.0009","21.4852","0.0019","8.9772","0.0006","90","","94.765","0.003","90","","2066.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N3 O2 -","- C20 H21 Br2 N3 O2 -","- C80 H84 Br8 N12 O8 -","4","1","","Zhang, Xiao; Bai, Fan; Li, Miaomiao; Ru, Huihui; Wang, Lanzhi","NiFe2O4@SiO2@PrNH2–DPA–CeCl3: a cerium-based magnetic nano dual-acid catalyst with high efficacy and recyclability for domino sequential synthesis of lactam ring-fused 1,5-benzodiazepines","Catalysis Science & Technology","2023","13","13","3987","3999","10.1039/D2CY01778D","","","0.71073","MoKα","","0.1239","0.0675","","","0.1806","0.2001","","","","","","1.056","","","","has coordinates","285460","2023-08-05","08:33:40",""
"1569262","12.0079","0.0009","12.4717","0.001","12.8977","0.0005","80.54","0.005","69.855","0.005","69.795","0.007","1699.5","0.2","300","0.2","300","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0579","0.0544","","","0.1592","0.1612","","","","","","1.064","","","","has coordinates","286056","2023-09-05","19:16:53",""
"1569263","12.7594","0.0001","13.8795","0.0002","20.0074","0.0003","91.925","0.001","107.483","0.001","99.844","0.001","3316.13","0.08","150","0.5","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0603","0.0579","","","0.1419","0.1447","","","","","","1.035","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569264","11.96519","0.00017","12.45379","0.00018","12.83894","0.00017","80.742","0.0011","69.6815","0.0013","69.7944","0.0013","1681.88","0.04","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1171","0.1207","","","","","","1.1","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569265","12.75426","0.00007","13.88144","0.00008","20.01371","0.00009","92.0011","0.0004","107.527","0.0005","99.7927","0.0005","3315.63","0.03","149.7","0.6","149.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0396","0.0368","","","0.1008","0.1026","","","","","","1.039","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569266","12.73249","0.00018","13.82045","0.00016","20","0.0002","91.9059","0.0009","107.561","0.0012","99.86","0.0011","3292.26","0.07","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0715","0.0675","","","0.1757","0.1815","","","","","","1.013","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569267","11.929","0.0005","12.4586","0.0004","12.8272","0.0005","80.346","0.003","69.77","0.003","69.483","0.003","1672.95","0.12","240","0.5","240","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0757","0.0712","","","0.2064","0.2108","","","","","","1.105","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569268","12.0082","0.0003","12.4839","0.0003","12.9087","0.0002","80.4846","0.0018","69.833","0.0019","69.77","0.002","1702.1","0.07","300","0.5","300","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C32 H20 Fe I2 N4 O2 -","- C64 H40 Fe2 I4 N8 O4 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0706","0.0601","","","0.1673","0.1902","","","","","","1.098","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569269","11.9612","0.0005","12.2958","0.0004","12.6524","0.0004","82.206","0.003","69.547","0.003","69.329","0.003","1631.11","0.11","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0772","0.0856","","","","","","1.03","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569270","12.7132","0.0002","13.7693","0.0002","19.9776","0.0003","91.945","0.001","107.644","0.001","100.019","0.001","3267.76","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0355","0.0295","","","0.0701","0.0728","","","","","","1.047","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569271","11.8742","0.0004","12.3742","0.0003","12.7752","0.0003","80.502","0.002","69.212","0.003","68.99","0.003","1636.7","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0623","0.067","","","","","","1.043","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569272","10.4984","0.0006","13.6723","0.0008","12.6001","0.0008","90","","108.468","0.007","90","","1715.44","0.19","298","","289","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.1075","0.0623","","","0.1825","0.2261","","","","","","1.143","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569273","8.2759","0.0004","18.6849","0.0008","11.6613","0.0006","90","","106.981","0.005","90","","1724.62","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0778","0.0577","","","0.1745","0.1994","","","","","","1.2112","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569274","9.0157","0.0003","11.1293","0.0004","11.8264","0.0003","88.918","0.003","87.476","0.003","74.544","0.003","1142.59","0.07","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C56 H54 N2 O4 S2 -","2","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1363","0.149","","","","","","1.12","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569275","7.3487","0.0001","7.3487","0.0001","4.7247","0.0001","90","","90","","90","","255.15","0.007","290.44","0.1","290.44","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- B2 Cd Ga O7 Tb -","- B2 Cd Ga O7 Tb -","- B4 Cd2 Ga2 O14 Tb2 -","2","0.25","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors","RSC Advances","2023","13","24","16272","16284","10.1039/D3RA03002D","","x-ray","0.71073","MoKα","","0.0236","0.0221","","","0.0443","0.0449","","","","","","1.092","","","","has coordinates","284346","2023-06-05","05:02:38",""
"1569276","17.9156","0.0011","8.6942","0.0004","18.83","0.0014","90","","117.921","0.008","90","","2591.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Ag2 N6 O14 -","- C48 H60 Ag2 N6 O14 -","- C96 H120 Ag4 N12 O28 -","2","0.5","","Kurpik, Gracjan; Walczak, Anna; Markiewicz, Grzegorz; Harrowfield, Jack; Stefankiewicz, Artur R.","Enhanced catalytic performance derived from coordination-driven structural switching between homometallic complexes and heterometallic polymeric materials.","Nanoscale","2023","15","21","9543","9550","10.1039/d3nr01298k","","","0.71073","MoKα","","0.07","0.0443","","","0.0899","0.1012","","","","","","1.014","","","","has coordinates,has disorder","284158","2023-06-04","13:11:57",""
"1569277","6.0996","0.0004","9.0669","0.0008","13.1358","0.0007","92.931","0.003","92.212","0.005","91.885","0.006","724.53","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Br4 N4 Pb -","- C4 H10 Br4 N4 Pb -","- C8 H20 Br8 N8 Pb2 -","2","1","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.04","8.2","","","","","","","has coordinates","284350","2023-06-05","11:35:26",""
"1569278","9.0885","0.0001","9.0885","0.0001","13.8787","0.0001","90","","90","","120","","992.805","0.017","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br6 N3 Pb2 -","- C3 H10.5 Br6 N3.856 Pb2 -","- C6 H21 Br12 N7.712 Pb4 -","2","0.0833333","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.089","12.7","","","","","","","has coordinates","284351","2023-06-05","11:36:19",""
"1569279","16.4311","0.001","8.03","0.0003","11.2057","0.0007","90","","104.651","0.002","90","","1430.43","0.14","296.15","","296.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","0.5","","Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S.","Additive-Assisted Crystallization of 9,10-Diphenylanthracene","Crystals","2023","13","6","861","","10.3390/cryst13060861","","","0.71073","MoKα","","0.083","0.0506","","","0.1181","0.1434","","","","","","1.025","","","","has coordinates","284352","2023-06-05","12:26:09",""
"1569280","16.1779","0.0004","3.8873","0.0001","16.1804","0.0004","90","","119.312","0.003","90","","887.28","0.05","100","0.1","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br2 N4 S2 -","- C6 Br2 N4 S2 -","- C24 Br8 N16 S8 -","4","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-<i>d</i>:4,5-<i>d</i>']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","","0.71073","MoKα","","0.0392","0.039","","","0.1055","0.1057","","","","","","1.061","","","","has coordinates","284355","2023-06-05","20:53:04",""
"1569281","3.738","0.003","9.027","0.005","10.156","0.009","82.88","0.04","87.48","0.04","83.96","0.04","338","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H2 N4 S2 -","- C6 H2 N4 S2 -","- C12 H4 N8 S4 -","2","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-<i>d</i>:4,5-<i>d</i>']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","x-ray","0.71073","MoKα","","0.0392","0.0361","","","0.086","0.0881","","","","","","1.092","","","","has coordinates","284356","2023-06-05","20:53:28",""
"1569282","12.5976","0.0003","9.2941","0.0002","6.9912","0.0002","90","","103.562","0.003","90","","795.73","0.04","99.97","0.18","99.97","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H Br N4 S2 -","- C6 H Br N4 S2 -","- C24 H4 Br4 N16 S8 -","4","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-<i>d</i>:4,5-<i>d</i>']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0653","0.0675","","","","","","1.038","","","","has coordinates","284357","2023-06-05","20:53:51",""
"1569283","9.0126","0.0003","30.5182","0.0012","12.6586","0.0005","90","","103.306","0.001","90","","3388.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","1","","- C87 H68 N5 O12 -","- C88 H76 N4 O12 -","- C176 H152 N8 O24 -","2","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1787","0.0868","","","0.1931","0.2405","","","","","","1.033","","","","has coordinates","284359","2023-06-06","02:20:41",""
"1569284","22.252","0.0011","22.252","0.0011","8.1795","0.0005","90","","90","","90","","4050.1","0.4","200","","200","","","","","","","","","4","P -4","P -4","81","","","","- C50 H38 N2 O6 -","- C50 H38 N2 O6 -","- C200 H152 N8 O24 -","4","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1339","0.0566","","","0.1214","0.157","","","","","","1.008","","","","has coordinates","284360","2023-06-06","02:21:13",""
"1569285","7.6363","0.0016","11.878","0.003","13.501","0.003","107.789","0.006","103.545","0.006","102.577","0.006","1076.8","0.4","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C44 H52 O14 -","2","1","","Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude","Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents","Molecules","2023","28","11","4303","","10.3390/molecules28114303","","","0.71073","MoKα","","0.1641","0.0789","","","0.2165","0.2722","","","","","","1.027","","","","has coordinates,has disorder","284361","2023-06-06","02:21:57",""
"1569286","12.3291","0.0011","7.9656","0.0008","25.755","0.002","90","","100.544","0.003","90","","2486.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O8 S -","- C24 H32 O8 S -","- C96 H128 O32 S4 -","4","1","","Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude","Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents","Molecules","2023","28","11","4303","","10.3390/molecules28114303","","","0.71073","MoKα","","0.0986","0.0601","","","0.1503","0.1726","","","","","","1.03","","","","has coordinates,has disorder","284362","2023-06-06","02:22:22",""
"1569288","5.8966","0.0005","14.2652","0.0011","7.4117","0.0006","90","","98.338","0.002","90","","616.85","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","2","","Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai","Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening","Catalysis Science & Technology","2023","13","13","3953","3962","10.1039/D3CY00366C","","","1.54178","CuKα","","0.0338","0.0337","","","0.0841","0.0842","","","","","","1.116","","","","has coordinates","284826","2023-07-05","08:24:39",""
"1569289","12.4705","0.0002","14.3086","0.0003","17.1528","0.0003","103.775","0.002","95.912","0.002","101.539","0.002","2875.84","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 Au2 N6 O -","- C62 H62 Au2 N6 -","- C124 H124 Au4 N12 -","2","1","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","1.54184","CuKα","","0.0574","0.0391","","","0.0823","0.0892","","","","","","1.008","","","","has coordinates","285461","2023-08-05","08:34:02",""
"1569290","27.2565","0.0003","17.0998","0.0002","52.008","0.0006","90","","101.377","0.001","90","","23763.6","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","XM487-2","","- C56 H50 Au2 N6 -","- C56 H50 Au2 N6 -","- C1120 H1000 Au40 N120 -","20","2.5","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","0.71073","MoKα","","0.0842","0.0583","","","0.0932","0.1014","","","","","","1.031","","","","has coordinates","285461","2023-08-05","08:34:02",""
"1569291","15.201","0.0018","9.7668","0.0012","13.4419","0.0016","90","","90","","90","","1995.7","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dibutyldibut-3-enylammonium hexafluorophosphate","","- C16 H32 F6 N P -","- C16 H32 F6 N P -","- C64 H128 F24 N4 P4 -","4","0.5","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.1111","0.0867","","","0.2361","0.2583","","","","","","1.055","","","","has coordinates,has disorder","284825","2023-07-05","08:24:15",""
"1569292","9.4663","0.0013","13.2301","0.0018","14.178","0.002","90","","93.998","0.002","90","","1771.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibutyldiallylammonium hexafluorophosphate","","- C14 H28 F6 N P -","- C14 H28 F6 N P -","- C56 H112 F24 N4 P4 -","4","1","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.0417","0.0331","","","0.0844","0.089","","","","","","1.045","","","","has coordinates","284825","2023-07-05","08:24:16",""
"1569293","17.6863","0.0014","18.9328","0.0015","20.2709","0.0017","114.66","0.004","97.896","0.004","108.962","0.003","5531.9","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C234 H232 B4 F16 N25 O17 Pt2 -","- C204 H192 N20 O12 Pt2 -","- C204 H192 N20 O12 Pt2 -","1","0.5","","Bobylev, Eduard O.; Knol, Renzo A.; Mathew, Simon; Poole, David A.; Kotsogianni, Ioli; Martin, Nathaniel I.; de Bruin, Bas; Kros, Alexander; Reek, Joost N. H.","In vivo biodistribution of kinetically stable Pt2L4 nanospheres that show anti-cancer activity","Chemical Science","2023","14","25","6943","6952","10.1039/D3SC01086D","","x-ray","0.71073","MoKα","","0.2012","0.1262","","","0.2622","0.3166","","","","","","1.121","","","","has coordinates","284561","2023-06-29","09:04:50",""
"1569294","55.539","0.0014","8.6589","0.0003","32.5046","0.0008","90","","90.397","0.002","90","","15631.3","0.8","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C155 H186 F36 N14 O7 Sb6 -","- C155 H186 F36 N14 O7 Sb6 -","- C620 H744 F144 N56 O28 Sb24 -","4","0.5","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1845","0.0896","","","0.195","0.2449","","","","","","1.027","","","","has coordinates,has disorder","284562","2023-06-29","09:06:52",""
"1569295","19.1475","0.0005","13.0806","0.0003","28.6942","0.0007","90","","101.915","0.002","90","","7031.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 F11 N6 O3 Sb -","- C82 H84 F11 N6 O3 Sb -","- C328 H336 F44 N24 O12 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1378","0.084","","","0.1938","0.2173","","","","","","1.091","","","","has coordinates,has disorder","284562","2023-06-29","09:06:57",""
"1569296","43.9853","0.0006","47.129","0.0006","13.0964","0.0002","90","","90","","90","","27148.6","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H81 F6 N6 O Sb -","- C72 H81 F6 N6 O Sb -","- C1152 H1296 F96 N96 O16 Sb16 -","16","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.0749","0.0489","","","0.0879","0.0948","","","","","","1.038","","","","has coordinates","284562","2023-06-29","09:06:58",""
"1569297","15.9748","0.0007","12.9194","0.0004","34.5124","0.001","90","","101.007","0.004","90","","6991.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 Cl6 F6 N7 O Sb -","- C72.001 H80.001 Cl6.003 F6 N7 O Sb -","- C288.004 H320.004 Cl24.012 F24 N28 O4 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","x-ray","0.71073","MoKα","","0.2501","0.1194","","","0.2699","0.3281","","","","","","1.075","","","","has coordinates,has disorder","284562","2023-06-29","09:07:01",""
"1569298","10.5933","0.0002","13.7861","0.0004","16.9187","0.0004","78.826","0.001","73.728","0.001","69.733","0.001","2212.12","0.09","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63.61 Ce Cl N2 O2 -","- C50 H63.61 Ce Cl N2 O2 -","- C100 H127.22 Ce2 Cl2 N4 O4 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0477","0.035","","","0.0714","0.0783","","","","","","1.04","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569299","10.8086","0.0018","13.8161","0.0017","17.097","0.003","78.952","0.012","73.607","0.015","69.594","0.013","2283.3","0.7","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Cl N2 Np O -","- C46 H54 Cl N2 Np O -","- C92 H108 Cl2 N4 Np2 O2 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.1282","0.0722","","","0.1519","0.1782","","","","","","0.989","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569300","13.8802","0.0007","15.5249","0.0008","22.0162","0.0012","90","","107.63","0.003","90","","4521.4","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 I N2 Np O -","- C51 H66 I N2 Np O -","- C204 H264 I4 N8 Np4 O4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.099","0.0612","","","0.1114","0.1245","","","","","","1.028","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569301","17.9304","0.0014","12.006","0.0007","26.7063","0.0018","90","","107.882","0.008","90","","5471.4","0.7","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Cl2 K N2 Np O6 -","- C54 H75 Cl2 K N2 Np O6 -","- C216 H300 Cl8 K4 N8 Np4 O24 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0732","0.0448","","","0.0796","0.0883","","","","","","1.002","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569302","13.3428","0.0016","16.9863","0.0019","25.645","0.003","90","","91.263","0.004","90","","5810.9","1.2","100","2","100.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65.73 Cl2 K N2 O2 U -","- C50 H65.727 Cl2 K N2 O2 U -","- C200 H262.908 Cl8 K4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0635","0.0474","","","0.0808","0.0856","","","","","","1.121","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569303","11.4528","0.0004","21.5419","0.0009","18.1661","0.0007","90","","98.817","0.002","90","","4428.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Ce I N2 O2 -","- C50 H64 Ce I N2 O2 -","- C200 H256 Ce4 I4 N8 O8 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0445","0.0303","","","0.0704","0.0728","","","","","","1.097","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569304","13.805","0.001","15.6334","0.0012","21.9877","0.0018","90","","108.057","0.003","90","","4511.6","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.67 I N2 O2 Pu -","- C50 H62.6666 I N2 O2 Pu -","- C200 H250.666 I4 N8 O8 Pu4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.047","0.0377","","","0.0944","0.0985","","","","","","1.046","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569305","13.7779","0.0008","15.6184","0.001","21.8752","0.0013","90","","107.897","0.001","90","","4479.5","0.5","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.4 I N2 O2 U -","- C50 H62.4 I N2 O2 U -","- C200 H249.6 I4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0184","0.0161","","","0.0353","0.0362","","","","","","1.039","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569306","13.3524","0.0004","16.9877","0.0005","25.6828","0.0008","90","","90.93","0.001","90","","5824.8","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C200 H262.48 Ce4 Cl8 K4 N8 O10 -","2","0.5","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0527","0.0417","","","0.093","0.1009","","","","","","1.085","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569307","8.6649","0.0008","8.8569","0.0008","9.8661","0.0009","84.893","0.003","88.222","0.003","84.477","0.003","750.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 I3 N -","- C11 H14 I3 N -","- C22 H28 I6 N2 -","2","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes <i>via</i> intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0873","0.0798","","","0.246","0.2527","","","","","","1.118","","","","has coordinates,has disorder","286032","2023-09-05","19:06:36",""
"1569308","11.555","0.0004","8.3352","0.0002","20.4748","0.0006","90","","105.348","0.001","90","","1901.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I2 N2 O3 S -","- C16 H18 I2 N2 O3 S -","- C64 H72 I8 N8 O12 S4 -","4","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes <i>via</i> intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0277","0.0245","","","0.0571","0.0587","","","","","","1.071","","","","has coordinates","286032","2023-09-05","19:06:37",""
"1569309","13.844","0.003","14.078","0.003","20.216","0.005","83.878","0.014","87.451","0.014","75.021","0.014","3783.8","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","TPAPF6","","- C38.5 H37 F6 N6.5 O P -","- C41 H36.5 F6 N4 O P -","- C164 H146 F24 N16 O4 P4 -","4","2","","Zhang, Shasha; Yang, Wenfang; Lu, Xiao; Zhang, Xinyi; Pan, Zhichao; Qu, Da-Hui; Mei, Dong; Mei, Ju; Tian, He","Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy","Chemical Science","2023","14","25","7076","7085","10.1039/D3SC00588G","","","1.54178","CuKα","","0.1288","0.0999","","","0.2792","0.3054","","","","","","0.996","","","","has coordinates,has disorder","284566","2023-06-29","09:13:21",""
"1569310","20.9301","0.0008","20.9301","0.0008","37.6852","0.0017","90","","90","","120","","14297","1","219.9","0.2","219.9","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C501 H339 Cl45 Mg9 N54 Sb6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0968","0.0583","","","0.1567","0.1727","","","","","","0.975","","","","has coordinates","284567","2023-06-29","09:16:22",""
"1569311","20.9744","0.0006","20.9744","0.0006","37.5959","0.0013","90","","90","","120","","14323.5","0.8","219.9","0.4","219.9","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C492 H330 Bi6 Cl18 Mg9 N54 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.045","0.0338","","","0.0799","0.0837","","","","","","1.006","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569312","13.4042","0.0003","21.6415","0.0007","24.8568","0.0008","92.283","0.003","99.219","0.002","94.883","0.002","7081.2","0.4","179.9","0.7","179.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C149 H98 Cl6 N15 Sb Zn3 -","- C149 H98 Cl6 N15 Sb Zn3 -","- C298 H196 Cl12 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0864","0.0589","","","0.1506","0.1705","","","","","","1.033","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569313","11.5963","0.0003","21.0912","0.0005","28.0154","0.0006","86.6057","0.0018","79.266","0.002","77.064","0.002","6560.2","0.3","180.1","0.2","180.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H97 Cl3 N15 Sb Zn3 -","- C148 H97 Cl3 N15 Sb Zn3 -","- C296 H194 Cl6 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0704","0.053","","","0.1297","0.1409","","","","","","1.023","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569314","11.5622","0.0005","21.0461","0.0008","27.9789","0.0009","86.862","0.003","79.147","0.003","76.921","0.003","6512.6","0.4","180","2","180.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C153 H110 Bi N15 Zn3 -","- C153 H110 Bi N15 Zn3 -","- C306 H220 Bi2 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1171","0.0598","","","0.1096","0.129","","","","","","0.934","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569315","9.4717","0.0014","15.5617","0.0007","14.976","0.002","90","","134.03","0.03","90","","1587.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Bi Cl2 N3 -","- C15 H12 Bi Cl2 N3 -","- C60 H48 Bi4 Cl8 N12 -","4","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.05","0.0322","","","0.058","0.0659","","","","","","1.013","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569316","9.8444","0.0006","7.4353","0.0004","14.6876","0.0008","90","","106.385","0.006","90","","1031.41","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H17 Cl2 N4 Sb -","- C20 H17 Cl2 N4 Sb -","- C40 H34 Cl4 N8 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0483","0.0376","","","0.0685","0.0773","","","","","","1.065","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569317","13.3955","0.0003","21.5477","0.0007","25.0484","0.0008","92.054","0.003","98.955","0.002","94.962","0.002","7106.2","0.4","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C150 H98 Bi Cl9 N15 Zn3 -","- C150 H98 Bi Cl9 N15 Zn3 -","- C300 H196 Bi2 Cl18 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.091","0.0566","","","0.1448","0.1588","","","","","","1.058","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569318","11.692","0.0004","13.9994","0.0005","19.8328","0.0005","78.498","0.003","76.874","0.003","70.708","0.003","2956.47","0.18","293","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H40 Cl2 Mg N7 Sb -","- C59 H40 Cl2 Mg N7 Sb -","- C118 H80 Cl4 Mg2 N14 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0528","0.0369","","","0.0786","0.0864","","","","","","1.03","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569319","20.6368","0.0012","20.6368","0.0012","37.744","0.002","90","","90","","120","","13920.8","1.4","219.9","0.6","219.9","0.6","","","","","","","","5","R -3 :H","-R 3","148","","","","- C162 H108 Mg3 N18 P2 -","- C162 H108 Mg3 N18 P2 -","- C486 H324 Mg9 N54 P6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1173","0.0684","","","0.1786","0.2074","","","","","","0.948","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569320","13.5059","0.0004","16.2547","0.0004","30.3809","0.0008","95.529","0.002","93.028","0.002","90.23","0.002","6629.1","0.3","180","0.14","180","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H99 Cl11 N15 Sb Zn3 -","- C150 H99 Cl11 N15 Sb Zn3 -","- C300 H198 Cl22 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0799","0.0547","","","0.1326","0.1501","","","","","","1.028","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569321","14.4466","0.0003","18.0374","0.0003","17.9239","0.0003","90","","98.983","0.001","90","","4613.31","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Br2 N2 O2 -","- C36 H28 Br2 N2 O2 -","- C216 H168 Br12 N12 O12 -","6","1.5","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.0836","0.0664","","","0.1779","0.1937","","","","","","1.051","","","","has coordinates","284568","2023-06-29","09:18:03",""
"1569322","26.4051","0.0017","11.762","0.0006","28.6519","0.0012","90","","110.083","0.002","90","","8357.5","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C336 H288 Cl24 N24 O24 -","12","3","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.1356","0.0937","","","0.2294","0.2534","","","","","","1.07","","","","has coordinates,has disorder","284568","2023-06-29","09:18:04",""
"1569323","50.1","0.2","6.67","0.02","12.67","0.01","90","","98.52","0.06","90","","4187","2","103","2","103","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sartorypyrone F","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Lin, Shu-Yi; Oakley, C. Elizabeth; Jenkinson, Cory B.; Chiang, Yi-Ming; Lee, Ching-Kuo; Jones, Christopher G.; Seidler, Paul M.; Nelson, Hosea M.; Todd, Richard B.; Wang, Clay C. C.; Oakley, Berl R.","A heterologous expression platform in <i>Aspergillus nidulans</i> for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the <i>Aspergillus fumigatus</i> sartorypyrone biosynthetic pathway.","Chemical science","2023","14","40","11022","11032","10.1039/d3sc02226a","","","0.02508","200KeVelectrons","","0.1645","0.1502","","","0.3261","0.3363","","","","","","1.285","","","","has coordinates","287319","2023-11-06","07:01:39",""
"1569324","8.0025","0.0009","8.9517","0.0008","9.587","0.001","68.099","0.004","79.046","0.004","82.806","0.003","624.48","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F2 N2 Sb -","- C13 H15 F2 N2 Sb -","- C26 H30 F4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0446","0.046","","","","","","1.081","","","","has coordinates","284570","2023-06-29","09:20:56",""
"1569325","17.2704","0.0008","12.0396","0.0006","7.6022","0.0003","90","","108.934","0.002","90","","1495.19","0.12","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br2 N2 Sb -","- C13 H15 Br2 N2 Sb -","- C52 H60 Br8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0141","0.0137","","","0.033","0.0332","","","","","","1.033","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569326","8.7403","0.0009","9.2435","0.0006","22.984","0.003","90","","95.441","0.004","90","","1848.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Bi2 Cl4 N4 O2 -","- C34 H46 Bi2 Cl4 N4 O2 -","- C68 H92 Bi4 Cl8 N8 O4 -","2","0.5","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0262","0.0187","","","0.0324","0.0348","","","","","","1.044","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569327","12.4279","0.0006","7.8441","0.0004","19.0889","0.001","90","","96.771","0.002","90","","1847.92","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 N2 Sb -","- C19 H19 Cl2 N2 Sb -","- C76 H76 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0288","0.0224","","","0.0461","0.0487","","","","","","1.063","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569328","7.7393","0.0007","15.609","0.002","36.44","0.005","90","","93.984","0.003","90","","4391.4","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Bi Cl2 N2 -","- C22 H25 Bi Cl2 N2 -","- C176 H200 Bi8 Cl16 N16 -","8","2","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0519","0.0464","","","0.1047","0.109","","","","","","1.064","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569329","10.7292","0.0005","9.9358","0.0006","13.955","0.0007","90","","91.646","0.002","90","","1487.03","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 N2 Sb -","- C13 H15 Cl2 N2 Sb -","- C52 H60 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0176","0.0151","","","0.0368","0.0379","","","","","","1.094","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02",""
"1569330","22.9835","0.0006","22.9835","0.0006","14.1686","0.0004","90","","90","","90","","7484.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H19 Bi Cl2 N2 -","- C19 H19 Bi Cl2 N2 -","- C304 H304 Bi16 Cl32 N32 -","16","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0221","0.0187","","","0.0438","0.0452","","","","","","1.049","","","","has coordinates","284570","2023-06-29","09:21:02",""
"1569331","7.7567","0.0009","11.3335","0.0015","13.6924","0.0017","65.998","0.003","80.92","0.003","76.814","0.003","1067.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl2 N2 Sb -","- C22 H25 Cl2 N2 Sb -","- C44 H50 Cl4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0196","0.0178","","","0.0446","0.0455","","","","","","1.078","","","","has coordinates","284570","2023-06-29","09:21:02",""
"1569332","12.379","0.004","12.587","0.004","18.983","0.006","79.607","0.007","75.288","0.007","80.032","0.007","2788.6","1.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 B Cl F24 N2 Sb -","- C54 H36 B Cl F24 N2 Sb -","- C108 H72 B2 Cl2 F48 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0569","0.0445","","","0.1123","0.1195","","","","","","1.068","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02",""
"1569333","11.5264","0.0008","12.3665","0.0009","14.7242","0.0008","88.001","0.002","88.826","0.002","64.702","0.002","1896.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl4 N2 O6 -","- C42 H34 Cl4 N2 O6 -","- C84 H68 Cl8 N4 O12 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of <i>trans</i>- <i>vs. cis</i>-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.057","0.045","","","0.1141","0.1234","","","","","","1.033","","","","has coordinates","284571","2023-06-29","09:22:23",""
"1569334","11.824","0.004","19.935","0.006","24.553","0.008","105.035","0.007","102.319","0.007","97.01","0.008","5363","3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","23003z","","","- C126 H123 N9 O12 Si4 -","- C126 H123 N9 O12 Si4 -","- C252 H246 N18 O24 Si8 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of <i>trans</i>- <i>vs. cis</i>-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.1737","0.0931","","","0.2098","0.2564","","","","","","1.023","","","","has coordinates","284571","2023-06-29","09:22:23",""
"1569335","8.2186","0.0009","10.7453","0.0013","12.237","0.0014","115.168","0.003","93.669","0.004","93.606","0.004","971.2","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C50 H44 O8 -","2","1","","Li, Can; Zhou, Zhengnan; Ma, Shengming","A Pd-catalyzed highly selective three-component protocol for trisubstituted allenes.","Chemical science","2023","14","28","7709","7715","10.1039/d3sc01849k","","","0.71073","MoKα","","0.0397","0.0361","","","0.0911","0.0943","","","","","","1.023","","","","has coordinates","286030","2023-09-05","19:05:54",""
"1569336","10.0066","0.0005","34.6611","0.0004","13.2116","0.0007","90","","139.278","0.011","90","","2989.4","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F10 N2 Ni -","- C13 H8 F10 N2 Ni -","- C104 H64 F80 N16 Ni8 -","8","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","0.71073","MoKα","","0.0606","0.0537","","","0.1224","0.1251","","","","","","1.145","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04",""
"1569337","10.6069","0.0003","10.0489","0.0002","11.2681","0.0003","90","","98.067","0.002","90","","1189.16","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F10 N4 Ni -","- C24 H20 F10 N4 Ni -","- C48 H40 F20 N8 Ni2 -","2","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0629","0.058","","","0.1748","0.1802","","","","","","1.128","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569338","10.22025","0.00017","14.9324","0.0003","17.5031","0.0002","90","","105.407","0.0017","90","","2575.2","0.08","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F18 N2 Ni2 O -","- C20 H18 F18 N2 Ni2 O -","- C80 H72 F72 N8 Ni8 O4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0518","0.0438","","","0.1254","0.1317","","","","","","1.051","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569339","20.0089","0.0005","9.688","0.0001","20.2007","0.0006","90","","118.582","0.003","90","","3438.62","0.17","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F12 N4 Ni2 O9 -","- C28 H22 F12 N4 Ni2 O9 -","- C112 H88 F48 N16 Ni8 O36 -","4","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0373","0.0359","","","0.0987","0.0997","","","","","","1.082","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569340","7.472","0.0004","8.6669","0.0004","12.3403","0.0006","99.771","0.004","105.008","0.004","105.431","0.004","719.21","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1287","0.1329","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04",""
"1569341","9.6861","0.0001","13.9546","0.0001","10.8974","0.0001","90","","110.646","0.001","90","","1378.36","0.02","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F10 N2 Ni -","- C12 H6 F10 N2 Ni -","- C48 H24 F40 N8 Ni4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0344","0.034","","","0.0848","0.085","","","","","","1.101","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569342","9.3627","0.0004","9.4114","0.0004","9.5203","0.0003","110.183","0.004","114.583","0.004","99.41","0.004","668.08","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0598","0.0544","","","0.1526","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05",""
"1569343","8.6514","0.0002","13.0136","0.0003","13.6104","0.0004","88.652","0.002","84.551","0.002","71.915","0.002","1450.03","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 F10 N4 Ni O4 -","- C26 H20 F10 N4 Ni O4 -","- C52 H40 F20 N8 Ni2 O8 -","2","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0494","0.045","","","0.1232","0.1265","","","","","","1.064","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05",""
"1569344","11.5628","0.0005","13.9251","0.0007","17.4612","0.0007","90","","101.679","0.004","90","","2753.3","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl2 F18 N3 Ni2 -","- C19 H15 Cl2 F18 N3 Ni2 -","- C76 H60 Cl8 F72 N12 Ni8 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.1239","0.0832","","","0.2121","0.2411","","","","","","1.05","","","","has coordinates","284573","2023-06-29","09:25:05",""
"1569345","12.2434","0.0003","13.7951","0.0003","19.1053","0.0004","99.235","0.003","93.899","0.003","94.115","0.004","3166.45","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F22 N2 Ni2 O5 -","- C24 H18 F22 N2 Ni2 O5 -","- C96 H72 F88 N8 Ni8 O20 -","4","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0827","0.0694","","","0.1911","0.2021","","","","","","1.092","","","","has coordinates","284573","2023-06-29","09:25:05",""
"1569346","15.4147","0.0005","10.4118","0.0004","12.7924","0.0004","90","","90","","90","","2053.11","0.12","298.37","0.1","298.37","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1463","0.153","","","","","","1.015","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569347","6.7397","0.0002","8.1678","0.0002","16.0806","0.0005","93.714","0.002","95.548","0.002","96.111","0.002","873.54","0.04","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","1","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","","1.54184","CuKα","","0.0733","0.0594","","","0.1584","0.1721","","","","","","1.031","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569348","6.9158","0.0003","7.5748","0.0003","17.5449","0.0006","90","","94.912","0.003","90","","915.73","0.06","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1257","0.1277","","","","","","1.079","","","","has coordinates","284575","2023-06-29","09:26:56",""
"1569349","7.1457","0.0001","14.9447","0.0003","33.743","0.0007","90","","90","","90","","3603.43","0.12","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Cl2 N O9 S -","- C35 H49 Cl2 N O9 S -","- C140 H196 Cl8 N4 O36 S4 -","4","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0617","0.053","","","0.1233","0.1275","","","","","","1.057","","","","has coordinates,has disorder","284575","2023-06-29","09:26:56",""
"1569350","14.1114","0.0008","17.2949","0.001","19.1195","0.0011","92.959","0.002","105.254","0.002","90.553","0.002","4494.5","0.4","104","2","104","","","","","","","","","3","P -1","-P 1","2","","","","- C62.5 H47 Cl -","- C62.5 H47 Cl -","- C250 H188 Cl4 -","4","2","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1296","0.1218","","","0.3018","0.3038","","","","","","1.152","","","","has coordinates","286026","2023-09-05","19:04:05",""
"1569351","15.4947","0.0008","17.9161","0.0009","19.1436","0.001","86.013","0.003","86.561","0.003","73.993","0.003","5091.3","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C138 H134 -","- C138 H134 -","- C276 H268 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0652","0.0585","","","0.1513","0.1568","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569352","37.1031","0.0013","18.2874","0.0006","30.6172","0.001","90","","123.328","0.002","90","","17357.8","1.1","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 -","- C116 H108 -","- C928 H864 -","8","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0681","0.0562","","","0.1372","0.1453","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569353","12.6773","0.0003","17.7433","0.0004","18.0024","0.0004","72.511","0.001","77.902","0.001","82.932","0.002","3768.61","0.15","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C105.99 H77.99 -","- C105.993 H77.992 -","- C211.986 H155.984 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1047","0.0766","","","0.1801","0.2001","","","","","","1.045","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569354","24.3943","0.0008","14.1219","0.0004","29.0635","0.0008","90","","103.837","0.003","90","","9721.6","0.5","180","0.1","180","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Qx-m-4F","","- C104 H110 F6 N8 O2 S4 -","- C105 H111 Cl3 F6 N8 O2 S4 -","- C420 H444 Cl12 F24 N32 O8 S16 -","4","1","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1044","0.0812","","","0.2083","0.2236","","","","","","1.061","","","","has coordinates,has disorder","286128","2023-09-05","19:53:10",""
"1569355","22.0344","0.0004","27.1704","0.0004","38.5671","0.0007","90","","98.0928","0.0017","90","","22859.5","0.7","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Qx-o-4F","","- C104 H110 F6 N8 O2 S4 -","- C105.154 H111.154 Cl3.462 F6 N8 O2 S4 -","- C841.232 H889.232 Cl27.696 F48 N64 O16 S32 -","8","2","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1246","0.1023","","","0.2314","0.243","","","","","","1.088","","","","has coordinates,has disorder","286128","2023-09-05","19:53:11",""
"1569356","9.1997","0.0003","9.1235","0.0003","21.9062","0.0008","90","","97.727","0.001","90","","1821.97","0.11","300","2","300","","","","","","","","","1","P 1 2/n 1","-P 2yac","13","","Violet phosphorus","","- P21 -","- P21 -","- P84 -","4","1","","Wang, Yanhao; Jin, Mengting; Gu, Mengyue; Zhao, Xuewen; Xie, Jinan; Meng, Guodong; Cheng, Yonghong; He, Jinjiang; Zhang, Jinying","Synthesis of violet phosphorus with large lateral sizes to facilitate nano-device fabrications.","Nanoscale","2023","15","29","12406","12412","10.1039/d3nr01113e","","","0.71073","MoKα","","0.0385","0.0271","","","0.0512","0.0562","","","","","","1.064","","","","has coordinates","285466","2023-08-05","09:09:42",""
"1569357","59.1396","0.0019","59.1396","0.0019","32.143","0.003","90","","90","","120","","97358","10","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H204 Ag24 F36 N12 O24 S12 -","- C234 H204 Ag24 F36 N12 O24 S12 -","- C2106 H1836 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe<sup>3+</sup> sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.1197","0.0794","","","0.2372","0.2813","","","","","","1.043","","","","has coordinates,has disorder","285465","2023-08-05","09:09:31",""
"1569358","58.313","0.002","58.313","0.002","32.365","0.002","90","","90","","120","","95310","7","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H228 Ag24 F36 N12 O24 S12 -","- C234 H228 Ag24 F36 N12 O24 S12 -","- C2106 H2052 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe<sup>3+</sup> sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.108","0.0721","","","0.2062","0.2519","","","","","","1.025","","","","has coordinates,has disorder","285465","2023-08-05","09:09:32",""
"1569359","14.0027","0.001","15.4287","0.0013","20.8968","0.0018","102.072","0.003","104.783","0.002","108.198","0.002","3936.5","0.6","190","2","190","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N2 Ni O -","- C44 H48 N2 Ni O -","- C176 H192 N8 Ni4 O4 -","4","2","","Li, Qiankun; Mu, Hongliang; Jian, Zhongbao","Facile access to diverse polyethylenes via neutral salicylaldiminato nickel catalysts","Polymer Chemistry","2023","14","27","3196","3202","10.1039/D3PY00450C","","","0.71073","MoKα","","0.0983","0.0531","","","0.1152","0.1402","","","","","","1.027","","","","has coordinates","285535","2023-08-05","09:37:54",""
"1569360","12.6742","0.0003","20.3077","0.0006","15.1446","0.0004","90","","94.37","0.001","90","","3886.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N2 O2 Pd -","- C50 H42 N2 O2 Pd -","- C200 H168 N8 O8 Pd4 -","4","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Pol, Harshawardhan V.; Prabhu M., Basava; Rokade, Dhammaraj; Nandimath, Sheetal; Chikkali, Samir H.","Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications","Polymer Chemistry","2023","14","27","3239","3251","10.1039/D3PY00311F","","","0.71073","MoKα","","0.0391","0.0322","","","0.0766","0.0808","","","","","","1.046","","","","has coordinates","285534","2023-08-05","09:37:42",""
"1569361","7.25651","0.00012","14.5203","0.0002","16.1412","0.0002","90","","90","","90","","1700.75","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Al N -","- C16 H34 Al N -","- C64 H136 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0962","0.0976","","","","","","1.03","","","","has coordinates","285536","2023-08-05","09:38:02",""
"1569362","7.5824","0.0002","12.9289","0.0003","15.4855","0.0003","90","","90","","90","","1518.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 Al N -","- C12 H30 Al N -","- C48 H120 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0413","0.0396","","","0.1027","0.1047","","","","","","1.026","","","","has coordinates","285536","2023-08-05","09:38:03",""
"1569363","12.4095","0.0003","20.9214","0.0004","18.3058","0.0004","90","","101.641","0.001","90","","4654.87","0.18","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 Al N2 O2 -","- C48 H75 Al N2 O2 -","- C192 H300 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0654","0.047","","","0.1114","0.1246","","","","","","1.046","","","","has coordinates","285533","2023-08-05","09:37:29",""
"1569364","9.7774","0.0007","17.9495","0.0015","24.4311","0.0018","90","","95.074","0.002","90","","4270.8","0.6","192","2","192","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 Al N2 O2 -","- C43 H71 Al N2 O2 -","- C172 H284 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0722","0.0497","","","0.1121","0.1275","","","","","","1.047","","","","has coordinates","285533","2023-08-05","09:37:30",""
"1569365","13.3447","0.0008","17.0418","0.0011","18.5572","0.0012","90","","107.455","0.002","90","","4025.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H67 Al N2 O2 -","- C41 H67 Al N2 O2 -","- C164 H268 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0982","0.0543","","","0.1092","0.1321","","","","","","1.042","","","","has coordinates","285533","2023-08-05","09:37:30",""
"1569366","12.1211","0.0004","17.4339","0.0006","20.9006","0.0006","90","","92.523","0.001","90","","4412.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H75 Al N2 O2 -","- C45 H75 Al N2 O2 -","- C180 H300 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0651","0.0467","","","0.1033","0.1147","","","","","","1.05","","","","has coordinates","285533","2023-08-05","09:37:30",""
"1569367","9.1959","0.0006","13.4702","0.001","10.7519","0.0006","90","","91.216","0.005","90","","1331.54","0.15","292.26","0.1","292.26","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N O2 -","- C20 H11 N O2 -","- C80 H44 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0742","0.0719","","","0.1623","0.1673","","","","","","1.08","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569368","8.0822","0.0016","11.034","0.0019","11.143","0.002","61.646","0.006","69.236","0.004","83.968","0.006","815.3","0.3","308","2","308","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N O2 -","- C24 H13 N O2 -","- C48 H26 N2 O4 -","2","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.065","0.0429","","","0.1031","0.1158","","","","","","1.03","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569369","15.167","0.0004","10.9238","0.0004","11.5354","0.0004","90","","94.397","0.003","90","","1905.57","0.11","293.9","0.2","293.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H15 N O2 -","- C28 H15 N O2 -","- C112 H60 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0637","0.0606","","","0.1541","0.1589","","","","","","1.081","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569370","14.7721","0.0008","14.0494","0.0008","12.9393","0.0007","90","","120.406","0.003","90","","2316.1","0.2","197","2","197","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N O4 -","- C30 H23 N O4 -","- C120 H92 N4 O16 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.0586","0.0392","","","0.0939","0.1024","","","","","","1.048","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569371","3.7973","0.0003","17.7163","0.0014","19.1364","0.0015","90","","90","","90","","1287.38","0.18","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 N O2 -","- C20 H9 N O2 -","- C80 H36 N4 O8 -","4","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.1299","0.059","","","0.1039","0.1322","","","","","","1.019","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569372","16.208","0.004","4.087","0.001","12.278","0.002","90","","90","","90","","813.3","0.3","200","2","200","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C26 H13 N O2 -","- C26 H13 N O2 -","- C52 H26 N2 O4 -","2","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.0632","0.0448","","","0.0901","0.0994","","","","","","1.059","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569373","14.4911","0.001","17.4128","0.0012","32.32","0.002","90","","99.617","0.003","90","","8040.7","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H33 B2 N3 O -","- C52 H33 B2 N3 O -","- C416 H264 B16 N24 O8 -","8","2","","Zou, Yang; He, Jiawei; Li, Nengquan; Hu, Yuxuan; Luo, Sai; Cao, Xiaosong; Yang, Chuluo","Precisely regulating the double-boron-based multi-resonance framework towards pure-red emitters: high-performance OLEDs with CIE coordinates fully satisfying the BT. 2020 standard.","Materials horizons","2023","10","9","3712","3718","10.1039/d3mh00800b","","","1.34139","GaKα","","0.1466","0.1087","","","0.3062","0.3387","","","","","","1.034","","","","has coordinates","286200","2023-09-05","20:28:38",""
"1569374","5.1456","0.0002","7.7415","0.0004","13.6223","0.0006","90","","90","","90","","542.64","0.04","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","","0.71073","MoKα","","0.0497","0.0395","","","0.0978","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:05",""
"1569375","5.1419","0.0002","7.7217","0.0004","13.613","0.005","90","","90","","90","","540.5","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","MoKα","","0.0542","0.0404","","","0.1017","0.1246","","","","","","1.131","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23",""
"1569376","5.1489","0.0005","7.7304","0.0005","13.602","0.006","90","","90","","90","","541.4","0.2","293","2","293","","","","150000","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","Synchrotron","","0.0507","0.0404","","","0.1088","0.1423","","","","","","1.222","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23",""
"1569377","7.055","0.0004","7.1706","0.0003","9.4182","0.0006","90","","109.295","0.007","90","","449.69","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Barium bis(tetrafluoridoborate) trihydrate","","- B2 Ba F8 H6 O3 -","- B2 Ba F8 H6 O3 -","- B4 Ba2 F16 H12 O6 -","2","1","WM4190","Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper","Low-temperature modification of Ba(BF4)2(H2O)3","IUCrData","2023","8","6","","","10.1107/S2414314623004881","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.0876","0.0892","","","","","","1.07","","","","has coordinates,has disorder","284704","2023-06-29","16:06:30",""
"1569378","14.9788","0.0002","15.3455","0.0002","16.2948","0.0002","90","","90","","90","","3745.48","0.08","93.25","","93.25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κ<i>O</i>)dicopper(II) tris(nitrate) trihydrate","","- C24 H54 Cu2 N12 O16 -","- C24 H54 Cu2 N12 O16 -","- C96 H216 Cu8 N48 O64 -","4","1","ZL4054","Ichimaru, Yoshimi; Kato, Koichi; Sugiura, Kirara; Ogawa, Sarina; Jin, Wanchun; Kurihara, Masaaki; Yamaguchi, Yoshihiro; Imai, Masanori; Kurosaki, Hiromasa","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","IUCrData","2023","8","6","","","10.1107/S2414314623004625","","x-ray","1.54184","CuKα","","0.0535","0.0458","","","0.1219","0.139","","","","","","1.063","","","","has coordinates","284705","2023-06-29","16:07:35",""
"1569379","12.3973","0.0004","4.7662","0.00015","31.5382","0.001","90","","99.318","0.003","90","","1838.94","0.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Diheptyl-3,3'-bis[(pyridin-3-yl)ethynyl]-5<i>H</i>,5'<i>H</i>-dipyrrolo[1,2-<i>b</i>:1',2'-<i>g</i>][2,6]naphthyridine-5,5'-dione","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C84 H84 N8 O4 -","2","0.5","HB4432","Xiang, Juan; Gao, Huan; Ma, Zhengyu; Cai, Xiaohua; Zhang, Yu-Peng","6,6′-Diheptyl-3,3′-bis[(pyridin-3-yl)ethynyl]-5H,5′H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,5′-dione","IUCrData","2023","8","6","","","10.1107/S2414314623005138","","","1.54184","CuKα","","0.1053","0.0899","","","0.2287","0.2545","","","","","","1.054","","","","has coordinates","284706","2023-06-29","16:08:32",""
"1569380","23.1223","0.0006","10.6267","0.0003","11.3533","0.0003","90","","98.087","0.001","90","","2761.92","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H48 I N6 P -","- C23 H48 I N6 P -","- C92 H192 I4 N24 P4 -","4","0.5","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0405","","","0.0971","0.0985","","","","","","1.24","","","","has coordinates,has disorder","286028","2023-09-05","19:05:28",""
"1569381","9.5526","0.0003","12.6149","0.0005","14.1053","0.0005","106.682","0.002","106.508","0.002","103.779","0.002","1463.45","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H47 I2 N6 P -","- C23 H47 I2 N6 P -","- C46 H94 I4 N12 P2 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0373","0.033","","","0.0844","0.0873","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569382","12.9856","0.0003","9.8313","0.0002","20.5049","0.0005","90","","101.643","0.001","90","","2563.9","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(sItBuN)2PMe","","- C23 H47 N6 P -","- C23 H47 N6 P -","- C92 H188 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0399","0.0388","","","0.1018","0.1026","","","","","","1.157","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569383","19.1275","0.0009","9.9593","0.0005","17.3077","0.0008","90","","92.711","0.003","90","","3293.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 I4 N6 P -","- C23 H47 I4 N6 P -","- C92 H188 I16 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0379","","","0.1013","0.1061","","","","","","1.076","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569384","13.7117","0.0005","16.9823","0.0009","29.5424","0.0008","74.076","0.003","82.009","0.003","67.187","0.004","6093.5","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C110 H118 B2 F48 N12 O P2 -","- C110 H118 B2 F48 N12 O P2 -","- C220 H236 B4 F96 N24 O2 P4 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","x-ray","0.71073","MoKα","","0.0664","0.0545","","","0.1386","0.1503","","","","","","1.062","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569385","27.9781","0.0006","12.6688","0.0003","28.6912","0.0006","90","","90","","90","","10169.6","0.4","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C55 H75 N6 P -","- C55 H75 N6 P -","- C440 H600 N48 P8 -","8","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0748","0.0641","","","0.1602","0.1679","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569386","12.9765","0.0002","20.2016","0.0004","20.259","0.0004","90","","104.944","0.001","90","","5131.2","0.17","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 N6 P -","- C55 H73 N6 P -","- C220 H292 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0869","0.0606","","","0.1412","0.1534","","","","","","1.036","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569387","12.1219","0.0002","21.3779","0.0003","22.6","0.0003","106.534","0.0007","90.8992","0.0007","91.4357","0.0007","5611.07","0.14","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 F3 N6 O3 P S -","- C56 H74 F3 N6 O3 P S -","- C224 H296 F12 N24 O12 P4 S4 -","4","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0741","0.0529","","","0.1282","0.139","","","","","","1.025","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569388","13.5828","0.0004","48.1844","0.0012","19.0661","0.0005","90","","92.09","0.002","90","","12470.1","0.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C471 H628 F48 N48 O50 P8 S16 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.1184","0.0981","","","0.2195","0.2281","","","","","","1.13","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569389","9.1061","0.0002","12.0634","0.0002","14.0083","0.0003","90","","90","","90","","1538.82","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Wu, Changhui; Chang, Zhiqian; Peng, Chuanyong; Bai, Chen; Xing, Junhao; Dou, Xiaowei","Catalytic asymmetric indolization by a desymmetrizing [3 + 2] annulation strategy.","Chemical science","2023","14","29","7980","7987","10.1039/d3sc02474a","","","1.54178","CuKα","","0.0339","0.0317","","","0.0772","0.0793","","","","","","1.05","","","","has coordinates","286029","2023-09-05","19:05:46",""
"1569390","7.3445","0.0019","23.984","0.003","13.177","0.0013","90","","90","","90","","2321.1","0.7","298","","298","","710000","","710000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C35.1 H35.5 O14.2 Sc2 -","- C35.02 H36.4208 O14.32 Sc2 -","- C70.04 H72.8416 O28.64 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","x-ray","0.4859","synchrotron","","0.1523","0.1371","","","0.4127","0.4424","","","","","","2.065","","","","has coordinates,has disorder","286031","2023-09-05","19:06:24",""
"1569391","7.3205","0.0015","26.609","0.005","11.922","0.002","90","","90","","90","","2322.3","0.8","298","","298","","470000","","470000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C35.8 H29.7 N O12.3 Sc2 -","- C35.84 H29.72 N1.04 O12.28 Sc2 -","- C71.68 H59.44 N2.08 O24.56 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1788","0.1393","","","0.3403","0.3704","","","","","","1.299","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569392","7.29","0.003","22.957","0.004","13.4286","0.0014","90","","90","","90","","2247.4","1","298","","298","","2130000","","2130000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H41.26 O15.48 Sc2 -","- C33.38 H23.52 O10 Sc2 -","- C66.76 H47.04 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1525","0.1425","","","0.4148","0.4296","","","","","","1.905","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569393","7.3533","0.0015","26.584","0.005","11.879","0.002","90","","90","","90","","2322.1","0.8","298","","298","","230000","","230000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C36.1 H28.4 N1.2 O11.7 Sc2 -","- C36.2 H30 N1.6 O11.8 Sc2 -","- C72.4 H60 N3.2 O23.6 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1256","0.1025","","","0.271","0.2879","","","","","","1.103","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569394","7.241","0.004","22.814","0.007","13.473","0.003","90","","90","","90","","2225.7","1.5","298","","298","","2610000","","2610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.8 H41.32 O15.76 Sc2 -","- C33.64 H24.56 O10 Sc2 -","- C67.28 H49.12 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1265","0.1136","","","0.3519","0.3628","","","","","","1.47","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569395","7.18","0.002","22.587","0.004","13.5541","0.0013","90","","90","","90","","2198.1","0.8","298","","298","","3200000","","3200000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.6 O15.6 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569396","7.0143","0.0012","21.941","0.007","13.6972","0.0019","90","","90","","90","","2108","0.8","298","","298","","4980000","","4980000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.4 O15.5 Sc2 -","- C33.96 H25.84 O10 Sc2 -","- C67.92 H51.68 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.125","0.1109","","","0.3232","0.3328","","","","","","1.216","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569397","7.1429","0.0017","22.463","0.003","13.5504","0.0012","90","","90","","90","","2174.2","0.6","298","","298","","3450000","","3450000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.12 O15.26 Sc2 -","- C33.56 H24.24 O10 Sc2 -","- C67.12 H48.48 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1266","0.1158","","","0.3457","0.357","","","","","","1.598","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569398","7.0769","0.0014","22.232","0.004","13.613","0.0015","90","","90","","90","","2141.8","0.6","298","","298","","4110000","","4110000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.2 O15.5 Sc2 -","- C33.8 H25.2 O10 Sc2 -","- C67.6 H50.4 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1048","0.0904","","","0.2598","0.2702","","","","","","1.104","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569399","7.1069","0.0018","22.297","0.004","13.5858","0.0016","90","","90","","90","","2152.8","0.7","298","","298","","3850000","","3850000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.22 O15.26 Sc2 -","- C33.36 H23.44 O10 Sc2 -","- C66.72 H46.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1487","0.1301","","","0.4137","0.4264","","","","","","1.807","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569400","7.213","0.002","22.789","0.003","13.4966","0.0013","90","","90","","90","","2218.5","0.7","298","","298","","2840000","","2840000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.48 O15.76 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569401","7.038","0.0015","22.061","0.006","13.652","0.002","90","","90","","90","","2119.7","0.8","298","","298","","4600000","","4600000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.2 H35.2 O14.2 Sc2 -","- C33.7 H24.8 O10 Sc2 -","- C67.4 H49.6 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1225","0.1003","","","0.2767","0.2932","","","","","","1.095","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569402","7.3292","0.0016","23.332","0.003","13.3614","0.0011","90","","90","","90","","2284.9","0.6","298","","298","","1610000","","1610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.74 H35.36 O13.74 Sc2 -","- C33.86 H25.44 O10 Sc2 -","- C67.72 H50.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1452","0.13","","","0.4145","0.4401","","","","","","1.888","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569403","7.3054","0.0005","26.5207","0.0017","11.755","0.0009","90","","90","","90","","2277.5","0.3","273","2","273.15","","","","","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- H24 N1.2 O10.6 Sc2 -","- C34.4 H24 N1.2 O10.6 Sc2 -","- C68.8 H48 N2.4 O21.2 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.71073","MoKα","","0.0925","0.0904","","","0.2662","0.2682","","","","","","1.073","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569404","9.7802","0.0003","23.3448","0.0007","13.2357","0.0004","90","","111.722","0.002","90","","2807.35","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1418","0.0637","","","0.1623","0.2218","","","","","","1.024","","","","has coordinates","286025","2023-09-05","19:02:34",""
"1569405","9.6414","0.0002","17.8695","0.0003","16.8961","0.0004","90","","110.21","","90","","2731.76","0.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1355","0.0813","","","0.2216","0.272","","","","","","1.045","","","","has coordinates","286025","2023-09-05","19:02:34",""
"1569406","5.4826","0.0003","12.4971","0.0007","23.5451","0.0013","90","","90","","90","","1613.23","0.15","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Methionyl L-tyrosine monohydrate","L-Methionyl-L-tyrosine monohydrate","","- C14 H22 N2 O5 S -","- C14 H22 N2 O5 S -","- C56 H88 N8 O20 S4 -","4","1","HB4434","Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.","L-Methionyl-L-tyrosine monohydrate","IUCrData","2023","8","6","","","10.1107/S2414314623005515","","","1.54184","CuKα","","0.0271","0.0252","","","0.0625","0.0635","","","","","","1.063","","","","has coordinates","284743","2023-07-01","01:59:46",""
"1569407","7.9303","0.0006","11.2977","0.0009","11.9988","0.0009","82.468","0.004","77.379","0.004","73.419","0.004","1002.71","0.14","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carbonitrile acetic acid monosolvate","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","HB4427","Chakraborty, Bimal Bhushan; Paul, Saurav; Anwar, Siddique; Choudhury, Sudip","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile acetic acid monosolvate","IUCrData","2023","8","6","","","10.1107/S2414314623005588","","","0.71073","MoKα","","0.0705","0.0503","","","0.1396","0.1571","","","","","","1.061","","","","has coordinates","284744","2023-07-01","02:00:12",""
"1569408","31.196","0.003","31.607","0.003","44.006","0.004","90","","91.733","0.002","90","","43371","7","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C432 H334 Ca24 Cl6 O186 -","- C432 H334 Ca24 Cl6 O200 -","- C864 H668 Ca48 Cl12 O400 -","2","0.5","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","0.7749","synchrotron","","0.1893","0.1663","","","0.4734","0.5175","","","","","","2.606","","","","has coordinates,has disorder","286074","2023-09-05","19:23:06",""
"1569409","36.2373","0.0012","36.2373","0.0012","36.2373","0.0012","90","","90","","90","","47585","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C534 H732 Ca38 N24 Na24 O290 -","- C534 H534 Ca38 N24 Na24 O290 -","- C1068 H1068 Ca76 N48 Na48 O580 -","2","0.0208333","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","1.54178","CuKα","","0.1333","0.1136","","","0.3689","0.4261","","","","","","2.184","","","","has coordinates,has disorder","286074","2023-09-05","19:23:07",""
"1569410","8.0781","0.001","4.793","0.0006","18.345","0.002","90","","90.223","0.008","90","","710.28","0.15","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Leucopterin hemihydrate","","- C12 H12 N10 O7 -","- C12 H12 N10 O7 -","- C24 H24 N20 O14 -","2","0.5","LT5058","Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.","Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.","IUCrJ","2023","10","4","448","463","10.1107/S2052252523004281","","","1.54178","CuKα","","0.1461","0.1413","","","0.4417","0.4451","","","","","","2.411","","","","has coordinates","284769","2023-07-04","01:53:56",""
"1569411","8.10257","0.0004","4.83656","0.00029","17.8289","0.0014","90","","88.531","0.0042","90","","698.46","0.08","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Leucopterin (variable hydrate) Remark: According to Rietveld refinement, the structure contains a partially occupied H2O molecule, which is represented by a single oxygen atom O1W. Its occupancy value Occ(O1W) = 0.421(8) corresponds to 0.17 H2O per leucopterin molecule. But this value is very uncertain (Powder data of limited quality). Hence, the water content of this structure should be regarded as being between 0 and 0.2 molecules of water per leucopterin molecule. The crystal structure and the tautomeric state were confirmed by DFT-D and SSNMR.","","","- C6 H5.34 N5 O3.17 -","- C6 H5 N5 O3.2106 -","- C24 H20 N20 O12.8424 -","4","1","LT5058","Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.","Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.","IUCrJ","2023","10","4","448","463","10.1107/S2052252523004281","powder diffraction","","1.54056","CuKα~1~","","0.01192","","","","","","","","1.591","","","","","","","has coordinates","287932","2023-12-01","13:55:15",""
"1569412","35.5224","0.0006","14.9127","0.0002","30.922","0.0005","90","","102.4","0.002","90","","15998.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-9-Methyl (absorbed in crystalline sponge)","(2',3',6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C53.14 H44.05 I6 N12 O1.01 Zn3 -","- C53.1402 H44.0508 I6.0002 N12 O1.0132 Zn3.0001 -","- C425.122 H352.406 I48.0016 N96 O8.1056 Zn24.0008 -","8","1","LT5059","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1424","0.1447","","","","","","1.163","","","","has coordinates,has disorder","284770","2023-07-04","02:00:11",""
"1569413","35.6703","0.0005","14.9029","0.0002","30.5678","0.0006","90","","102.121","0.0015","90","","15887.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol (absorbed in crystalline sponge)","(2',6'-dimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed into crystalline sponge)","","- C55.92 H45.25 I6 N12 O1.33 Zn3 -","- C55.923 H45.2512 I6 N12 O1.3282 Zn3 -","- C447.384 H362.01 I48 N96 O10.6256 Zn24 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54178","CuKα","","0.0909","0.089","","","0.2098","0.2106","","","","","","1.208","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17",""
"1569414","14.8189","0.0003","19.1026","0.0003","31.814","0.0004","101.557","0.001","92.34","0.002","110.826","0.002","8184.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzyl Biaryl Alcohol-3-Methyl (absorbed in crystalline sponge)","(2',6,6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C53.17 H48.75 I6.01 N12 O0.62 Zn3.01 -","- C53.1649 H48.7479 I6.014 N12 O0.61485 Zn3.007 -","- C212.66 H194.992 I24.056 N48 O2.4594 Zn12.028 -","4","2","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0772","0.0644","","","0.2018","0.2161","","","","","","1.034","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17",""
"1569415","35.62","0.002","14.9567","0.0003","30.9945","0.0016","90","","102.899","0.006","90","","16095.9","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-10-Nitrile (absorbed in crystalline sponge)","2'-(hydroxymethyl)-2,6-dimethyl-[1,1'-biphenyl]-4-carbonitrile (absorbed in crystalline sponge)","","- C45.94 H34.64 I6 N12.54 O0.54 Zn3 -","- C45.9376 H34.6425 I5.9998 N12.5431 O0.5431 Zn2.9999 -","- C367.501 H277.14 I47.9984 N100.345 O4.3448 Zn23.9992 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1468","0.128","","","0.3303","0.3424","","","","","","1.094","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17",""
"1569416","35.3379","0.0007","14.8649","0.0002","31.6259","0.0007","90","","102.979","0.002","90","","16188.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-12-Methoxy (absorbed in crystalline sponge)","2'-methoxy-6'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C45.57 H34.77 I6 N12 O1.2 Zn3 -","- C45.5678 H34.7678 I6.0014 N12 O1.1954 Zn3.0007 -","- C364.542 H278.142 I48.0112 N96 O9.5632 Zn24.0056 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0694","0.0637","","","0.2014","0.2097","","","","","","1.045","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569417","31.5077","0.0005","14.9991","0.0001","34.4289","0.0006","90","","102.086","0.001","90","","15910","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Benzyl Biaryl Alcohol-8,12-Methoxy (absorbed in crystalline sponge)","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C50.67 H46.7 I6 N12 O1.42 Zn3 -","- C50.6748 H46.6996 I5.9998 N12 O1.425 Zn2.9999 -","- C405.398 H373.597 I47.9984 N96 O11.4 Zn23.9992 -","8","2","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0851","0.0709","","","0.2087","0.2206","","","","","","1.057","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569418","34.533","0.003","15.0103","0.0009","30.9081","0.0014","90","","101.4","0.006","90","","15705.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-8,10,12-Methoxy (absorbed in crystalline sponge)","(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C54.39 H49.06 I6 N12 O3.35 Zn3 -","- C54.385 H49.0548 I6 N12 O3.3472 Zn3 -","- C435.08 H392.438 I48 N96 O26.7776 Zn24 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1297","0.1172","","","0.2681","0.2736","","","","","","1.134","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569419","35.4079","0.0004","14.9066","0.0002","31.8633","0.0003","90","","103.664","0.001","90","","16341.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol (absorbed in crystalline sponge)","2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C56.93 H43.09 I6.02 N12 O1.61 Zn3.01 -","- C56.9261 H43.2908 I6.0178 N12 O1.6097 Zn3.0089 -","- C455.409 H346.326 I48.1424 N96 O12.8776 Zn24.0712 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0511","0.0488","","","0.1542","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569420","35.6889","0.0007","14.8458","0.0002","31.8064","0.0006","90","","103.685","0.002","90","","16373.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Fluorine (absorbed in crystalline sponge)","6-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C44.23 H30.91 F0.63 I6 N12 O0.63 Zn3 -","- C44.229 H30.913 F0.633 I6.0014 N12 O0.633 Zn3.0007 -","- C353.832 H247.304 F5.064 I48.0112 N96 O5.064 Zn24.0056 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.066","0.0577","","","0.1849","0.1953","","","","","","1.031","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569421","35.7099","0.0002","14.85945","0.0001","31.593","0.00019","90","","103.011","0.0006","90","","16333.8","0.18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Fluorine (absorbed in crystalline sponge)","5-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C48.16 H34.29 F0.94 I6 N12 O0.94 Zn3 -","- C48.1654 H34.2938 F0.9358 I6.0018 N12 O0.9358 Zn3.0009 -","- C385.323 H274.35 F7.4864 I48.0144 N96 O7.4864 Zn24.0072 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0495","0.0481","","","0.1533","0.155","","","","","","1.049","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569422","14.778","0.0005","18.2345","0.0005","30.797","0.0005","98.227","0.002","91.736","0.002","113.055","0.003","7523.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Phenyl Biaryl Alcohol-2,6-Iodine (absorbed in crystalline sponge)","3,5-diiodo-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C22.86 H16.22 I3.75 N6 O0.37 Zn1.5 -","- C22.8571 H16.2183 I3.74725 N6 O0.373625 Zn1.5 -","- C182.857 H129.746 I29.978 N48 O2.989 Zn12 -","8","4","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1003","0.0922","","","0.2964","0.307","","","","","","1.356","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18",""
"1569423","35.5509","0.0006","14.9182","0.0003","30.8851","0.0005","90","","102.449","0.002","90","","15995","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Methyl (absorbed in crystalline sponge)","2',5-dimethyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C49.98 H38.21 I6 N12 O Zn3 -","- C49.9816 H37.9808 I5.9998 N12 O0.9986 Zn2.9999 -","- C399.853 H303.846 I47.9984 N96 O7.9888 Zn23.9992 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0635","0.058","","","0.1873","0.1913","","","","","","1.047","","","","has coordinates,has disorder","284770","2023-07-04","02:00:19",""
"1569424","34.9529","0.0006","14.9266","0.0002","30.7318","0.0005","90","","101.777","0.002","90","","15696.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Phenyl (absorbed in crystalline sponge)","2''-methyl-[1,1':3',1''-terphenyl]-4'-ol (absorbed in crystalline sponge)","","- C48.24 H36.74 I6 N12 O0.53 Zn3 -","- C48.2403 H36.7392 I6.0008 N12 O0.5337 Zn3.0004 -","- C385.922 H293.914 I48.0064 N96 O4.2696 Zn24.0032 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54178","CuKα","","0.0643","0.0587","","","0.1757","0.1807","","","","","","1.036","","","","has coordinates,has disorder","284770","2023-07-04","02:00:19",""
"1569425","16.0157","0.0005","16.9055","0.0006","8.2684","0.0002","90","","90","","90","","2238.7","0.12","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0513","0.0432","","","0.1117","0.1168","","","","","","1.054","","","","has coordinates","284771","2023-07-04","03:58:51",""
"1569426","8.9175","0.0004","9.6423","0.0005","10.4108","0.0005","62.612","0.002","67.462","0.002","72.983","0.002","726.71","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","1","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0498","0.0394","","","0.1026","0.1104","","","","","","1.025","","","","has coordinates","284771","2023-07-04","03:58:52",""
"1569427","12.9054","0.001","13.4545","0.0011","22.5621","0.0018","76.114","0.003","82.526","0.003","62.714","0.003","3379","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H69 Cl9 N8 -","- C75 H69 Cl9 N8 -","- C150 H138 Cl18 N16 -","2","1","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0831","0.0659","","","0.1778","0.1941","","","","","","1.031","","","","has coordinates","284771","2023-07-04","03:58:52",""
"1569428","21.8313","0.0006","21.8313","0.0006","11.5605","0.0004","90","","90","","120","","4771.6","0.2","255","","255","","","","","","","","","5","P 65","P 65","170","","","","- C35 H31 N3 O4 S -","- C35 H31 N3 O4 S -","- C210 H186 N18 O24 S6 -","6","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0274","0.0268","","","0.071","0.0715","","","","","","1.053","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569429","9.1729","0.0004","15.6495","0.0007","19.844","0.0008","90","","90","","90","","2848.6","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 N O3 S -","- C34 H33 N O3 S -","- C136 H132 N4 O12 S4 -","4","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0436","0.0424","","","0.118","0.1191","","","","","","1.051","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569430","14.7897","0.0015","13.9358","0.0014","27.027","0.003","90","","103.411","0.004","90","","5418.5","1","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H54 Cl4 N2 O4 P Rh -","- C57 H54 Cl4 N2 O4 P Rh -","- C228 H216 Cl16 N8 O16 P4 Rh4 -","4","2","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0527","0.0518","","","0.1319","0.1327","","","","","","1.061","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569431","6.0808","0.0001","13.2575","0.0002","31.0012","0.0005","90","","90","","90","","2499.2","0.07","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1S,2S,4aS)-1,4a-dimethyl-7-nitro-2-(nitrooxy)-6-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate","","- C26 H27 N2 O9 -","- C26 H27 N2 O9 -","- C104 H108 N8 O36 -","4","1","","Nandi, Rhituparna; Niyogi, Sovan; Kundu, Sourav; Gavit, Vipin R.; Munda, Mintu; Murmu, Ranjit; Bisai, Alakesh","Total synthesis of atropisomeric indolosesquiterpenoids <i>via</i> N-N bond formation: dixiamycins A and B.","Chemical science","2023","14","30","8047","8053","10.1039/d2sc07119c","","","1.54184","CuKα","","0.0861","0.0748","","","0.205","0.2139","","","","","","1.042","","","","has coordinates","286062","2023-09-05","19:18:51",""
"1569432","12.5024","0.0001","16.6275","0.0002","17.2067","0.0002","100.567","0.001","109.891","0.001","104.994","0.001","3100.64","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H50 O37 Zr6 -","- C28 H50 O37 Zr6 -","- C56 H100 O74 Zr12 -","2","1","","Murali, Meenu; Bijani, Christian; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo","Acetate exchange mechanism on a Zr<sub>12</sub> oxo hydroxo cluster: relevance for reshaping Zr-carboxylate coordination adaptable networks.","Chemical science","2023","14","30","8152","8163","10.1039/d3sc02204h","","x-ray","1.54184","CuKα","","0.0395","0.037","","","0.1077","0.1097","","","","","","1.081","","","","has coordinates","286059","2023-09-05","19:18:15",""
"1569433","24.0518","0.0001","24.0861","0.0001","24.122","0.0001","90","","90","","90","","13974.2","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0388","0.0369","","","0.0983","0.0994","","","","","","1.04","","","","has coordinates","285467","2023-08-05","09:10:09",""
"1569434","24.0142","0.0001","24.1415","0.0001","24.1607","0.0002","90","","90","","90","","14006.9","0.14","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0462","0.0415","","","0.1176","0.1194","","","","","","1.029","","","","has coordinates","285467","2023-08-05","09:10:09",""
"1569435","14.4279","0.0002","17.4914","0.0003","26.3185","0.0004","94.046","0.001","91.366","0.001","109.95","0.001","6219.58","0.17","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H102 Ag5.95 N16 O2 P8 S4 -","- C124 H102 Ag5.95 N16 O2 P8 S4 -","- C248 H204 Ag11.9 N32 O4 P16 S8 -","2","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0934","0.0628","","","0.1452","0.1565","","","","","","1.063","","","","has coordinates,has disorder","285467","2023-08-05","09:10:09",""
"1569436","9.7279","0.0018","12.109","0.002","16.102","0.003","87.019","0.007","89.242","0.007","70.646","0.006","1787.1","0.6","145","","145","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H51 N O9 -","- C38 H51 N O9 -","- C76 H102 N2 O18 -","2","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.1451","0.0843","","","0.1861","0.2186","","","","","","1.041","","","","has coordinates","284824","2023-07-05","08:00:03",""
"1569437","11.2351","0.0002","14.8801","0.0002","12.565","0.0003","90","","103.108","0.002","90","","2045.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd2 N8 O12 -","- C32 H36 Cd2 N8 O12 -","- C64 H72 Cd4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0549","0.0485","","","0.1667","0.1714","","","","","","1.084","","","","has coordinates","284986","2023-07-05","17:50:14",""
"1569438","7.4629","0.0002","24.0425","0.0006","18.6052","0.0004","90","","92.373","0.002","90","","3335.41","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cd Cl2 N8 O15 -","- C24 H30 Cd Cl2 N8 O15 -","- C96 H120 Cd4 Cl8 N32 O60 -","4","1","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.045","0.0344","","","0.097","0.1002","","","","","","1.048","","","","has coordinates","284987","2023-07-05","17:50:48",""
"1569439","7.5524","0.0001","12.9826","0.0002","16.088","0.0002","90","","92.296","0.001","90","","1576.16","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd Cl2 N8 O12 -","- C24 H24 Cd Cl2 N8 O12 -","- C48 H48 Cd2 Cl4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0457","0.0331","","","0.0918","0.0956","","","","","","1.076","","","","has coordinates","284988","2023-07-05","17:56:21",""
"1569440","9.4337","0.0003","19.5412","0.0006","10.7349","0.0003","90","","100.794","0.003","90","","1943.92","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 Si -","- C7 H13 N3 Si -","- C56 H104 N24 Si8 -","8","2","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0495","0.0367","","","0.0876","0.0957","","","","","","1.097","","","","has coordinates","284989","2023-07-05","18:38:08",""
"1569441","8.6757","0.0004","8.874","0.0004","9.0989","0.0004","64.211","0.003","75.463","0.003","79.194","0.003","608.08","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N6 Si -","- C10 H14 N6 Si -","- C20 H28 N12 Si2 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0336","0.0308","","","0.077","0.0792","","","","","","1.08","","","","has coordinates","284989","2023-07-05","18:38:09",""
"1569442","10.064","0.0003","11.1921","0.0003","18.6757","0.0005","72.898","0.002","89","0.002","63.346","0.002","1780.7","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N18 O Si2 -","- C30 H38 N18 O Si2 -","- C60 H76 N36 O2 Si4 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0462","0.0385","","","0.0959","0.1019","","","","","","1.063","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09",""
"1569443","15.9611","0.0002","21.1674","0.0003","22.6832","0.0003","90","","97.74","0.001","90","","7593.81","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N12 O Si -","- C23 H24 N12 O Si -","- C276 H288 N144 O12 Si12 -","12","3","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0506","0.0407","","","0.0939","0.101","","","","","","1.108","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09",""
"1569444","11.0242","0.0003","16.5074","0.0004","11.0507","0.0002","90","","97.688","0.002","90","","1992.94","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N4 S -","- C22 H19 Cl N4 S -","- C88 H76 Cl4 N16 S4 -","4","1","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","0.71073","MoKα","","0.0671","0.0461","","","0.1106","0.123","","","","","","1.037","","","","has coordinates,has disorder","284990","2023-07-05","18:38:50",""
"1569445","12.1537","0.0005","12.8679","0.0005","15.0994","0.0005","70.272","0.003","69.417","0.003","67.402","0.004","1984.17","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl N4 S -","- C23 H17 Cl N4 S -","- C92 H68 Cl4 N16 S4 -","4","2","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","1.54184","CuKα","","0.0344","0.0296","","","0.0747","0.078","","","","","","1.034","","","","has coordinates","284991","2023-07-05","18:39:15",""
"1569446","22.0253","0.0007","14.2617","0.0005","22.4081","0.0008","90","","119.274","0.001","90","","6139.9","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.26 B2 N4.75 O2 Ru S2 -","- C73.504 H70.256 B2 N4.752 O2 Ru S2 -","- C294.016 H281.024 B8 N19.008 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.064","0.0436","","","0.1025","0.1123","","","","","","1.037","","","","has coordinates,has disorder","284996","2023-07-05","22:12:52",""
"1569447","22.0479","0.0008","14.2689","0.0006","22.3824","0.0009","90","","119.173","0.001","90","","6148.3","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.51 H70.28 B2 N4.76 O2 Ru S2 -","- C73.516 H70.274 B2 N4.758 O2 Ru S2 -","- C294.064 H281.096 B8 N19.032 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0583","0.041","","","0.1018","0.1091","","","","","","1.027","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05",""
"1569448","22.0415","0.0009","14.2574","0.0006","22.4105","0.0009","90","","119.253","0.001","90","","6144.5","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.1 B2 N4.75 O2 Ru S2 -","- C73.502 H70.097 B2 N4.751 O2 Ru S2 -","- C294.008 H280.388 B8 N19.004 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0566","0.0413","","","0.0975","0.1046","","","","","","1.051","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05",""
"1569449","12.7641","0.0004","57.5684","0.0016","36.0789","0.0011","90","","94.785","0.001","90","","26418.7","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H124 O24 S8 Tb4 -","- C115 H124 O24 S8 Tb4 -","- C920 H992 O192 S64 Tb32 -","8","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0643","0.0462","","","0.1107","0.1254","","","","","","1.057","","","","has coordinates","284997","2023-07-05","22:14:20",""
"1569450","19.1485","0.0007","19.6598","0.0006","21.4502","0.0007","90.609","0.002","111.829","0.002","90.189","0.002","7495.4","0.4","179","","179","","","","","","","","","6","P -1","-P 1","2","","","","- C121 H133 N3 O24 S8 Tb4 -","- C121 H133 N3 O24 S8 Tb4 -","- C242 H266 N6 O48 S16 Tb8 -","2","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0861","0.0577","","","0.1344","0.1552","","","","","","1.056","","","","has coordinates","284997","2023-07-05","22:14:21",""
"1569451","14.9954","0.0006","16.1533","0.0007","20.1627","0.0009","86.179","0.002","74.935","0.002","80.127","0.002","4645","0.3","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C80 H96 N6 O8 -","- C80 H96 N6 O8 -","- C160 H192 N12 O16 -","2","1","","Dhara, Ayan; Dmitrienko, Anton; Hussein, Rahaf N.; Sotomayor, Ariel; Wilson, Benjamin H.; Loeb, Stephen J.","A translationally active ligand based on a [2]rotaxane molecular shuttle with a 2,2'-bipyridyl core.","Chemical science","2023","14","26","7215","7220","10.1039/d3sc01346d","","","0.71073","MoKα","","0.1232","0.1078","","","0.2715","0.2815","","","","","","1.063","","","","has coordinates,has disorder","286057","2023-09-05","19:17:11",""
"1569452","19.9646","0.0012","21.9566","0.0014","22.5133","0.0015","69.998","0.002","78.914","0.002","81.231","0.002","9060.2","1","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C163 H201 N13 O18 Zn -","- C163 H201 N13 O18 Zn -","- C326 H402 N26 O36 Zn2 -","2","1","","Dhara, Ayan; Dmitrienko, Anton; Hussein, Rahaf N.; Sotomayor, Ariel; Wilson, Benjamin H.; Loeb, Stephen J.","A translationally active ligand based on a [2]rotaxane molecular shuttle with a 2,2'-bipyridyl core.","Chemical science","2023","14","26","7215","7220","10.1039/d3sc01346d","","","0.71073","MoKα","","0.1795","0.1115","","","0.3123","0.3687","","","","","","1.197","","","","has coordinates,has disorder","286057","2023-09-05","19:17:11",""
"1569453","8.702","0.0003","10.7451","0.0004","25.902","0.0009","90","","90","","90","","2421.94","0.15","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","x-ray","1.54184","CuKα","","0.084","0.0589","","","0.1715","0.1748","","","","","","1.159","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569454","8.348","0.005","9.154","0.005","16.683","0.009","98.03","0.02","92.58","0.02","90.2","0.02","1261","1.2","298","2","298","","","","","","","","","5","P 1","P 1","1","","","","- C31 H25 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","2","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","","0.71073","MoKα","","0.0771","0.0495","","","0.1156","0.1304","","","","","","1.043","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569455","17.8906","0.0004","21.6153","0.0005","23.3885","0.0005","110.163","0.002","103.825","0.002","105.043","0.002","7642.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H114 Ag4 Au9 Cl7 P8 -","- C113 H114 Ag4 Au9 Cl7 P8 -","- C226 H228 Ag8 Au18 Cl14 P16 -","2","1","","Jiang, Lirong; Jing, Mengmeng; Yin, Bing; Du, Wenjun; Wang, Xiaojian; Liu, Ying; Chen, Shuang; Zhu, Manzhou","Bright near-infrared circularly polarized electrochemiluminescence from Au<sub>9</sub>Ag<sub>4</sub> nanoclusters.","Chemical science","2023","14","26","7304","7309","10.1039/d3sc01329d","","","1.54186","CuKα","","0.0992","0.0882","","","0.2493","0.269","","","","","","1.037","","","","has coordinates,has disorder","286052","2023-09-05","19:13:19",""
"1569456","8.15286","0.00019","18.933","0.0004","28.0248","0.0007","90","","95.618","0.002","90","","4305.08","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Br2 Cl3 N6 Pd2 S -","- C40 H39 Br2 Cl3 N6 Pd2 S -","- C160 H156 Br8 Cl12 N24 Pd8 S4 -","4","1","","Popov, Roman A.; Novikov, Alexander S.; Suslonov, Vitalii V.; Boyarskiy, Vadim P.","Molecular Switching through Chalcogen-Bond-Induced Isomerization of Binuclear (Diaminocarbene)PdII Complexes","Inorganics","2023","11","6","255","","10.3390/inorganics11060255","","","0.71073","MoKα","","0.0334","0.0264","","","0.0573","0.06","","","","","","1.072","","","","has coordinates","285001","2023-07-05","22:20:15",""
"1569457","16.654","0.0004","16.7752","0.0003","15.361","0.0003","90","","111.854","0.003","90","","3983.06","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 I2 N6 Pd2 S -","- C39 H38 I2 N6 Pd2 S -","- C156 H152 I8 N24 Pd8 S4 -","4","1","","Popov, Roman A.; Novikov, Alexander S.; Suslonov, Vitalii V.; Boyarskiy, Vadim P.","Molecular Switching through Chalcogen-Bond-Induced Isomerization of Binuclear (Diaminocarbene)PdII Complexes","Inorganics","2023","11","6","255","","10.3390/inorganics11060255","","","0.71073","MoKα","","0.0373","0.0287","","","0.0629","0.0673","","","","","","1.064","","","","has coordinates","285002","2023-07-05","22:20:43",""
"1569458","18.3186","0.0003","18.3186","0.0003","11.6298","0.0004","90","","90","","90","","3902.62","0.16","290","2","290","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H12 N4 O4 Zn -","- C15 H12 N4 O4 Zn -","- C120 H96 N32 O32 Zn8 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Ryadun, Alexey A.; Fedin, Vladimir P.; Potapov, Andrei S.","Synthesis, Crystal Structure, and Luminescent Sensing Properties of a Supramolecular 3D Zinc(II) Metal–Organic Framework with Terephthalate and Bis(imidazol-1-yl)methane Linkers","Inorganics","2023","11","7","264","","10.3390/inorganics11070264","","x-ray","0.71073","MoKα","","0.0487","0.0358","","","0.0898","0.0965","","","","","","1.047","","","","has coordinates,has disorder","285003","2023-07-05","22:21:22",""
"1569459","13.3072","0.0007","6.9369","0.0003","15.2738","0.0009","90","","106.507","0.002","90","","1351.82","0.12","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ApN3","2-azido-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide","","- C13 H14 N6 O2 -","- C13 H14 N6 O2 -","- C52 H56 N24 O8 -","4","1","","Kumar, Sachin; Lal, Bajrang; Tittal, Ram Kumar; Singh, Gurleen; Singh, Jandeep; Ghule, Vikas; Sharma, Renu; Sabane, Jagjivan K.","A Selective Chemosensor via Click Chemistry for Cu2+ and Hg2+ Ions in Organic Media","Sensors & Diagnostics","2023","","","","","10.1039/D3SD00109A","","","0.71073","MoKα","","0.0751","0.0447","","","0.1027","0.1143","","","","","","1.04","","","","has coordinates","285017","2023-07-06","01:36:13",""
"1569460","16.4768","0.0017","10.4768","0.0004","17.6691","0.001","90","","107.092","0.009","90","","2915.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B2 Cu3 F8 N12 O -","- C18 H22 B2 Cu3 F8 N12 O -","- C72 H88 B8 Cu12 F32 N48 O4 -","4","1","","Cañón-Mancisidor, Walter; Hermosilla-Ibáñez, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Gómez-García, Carlos J.; Venegas-Yazigi, Diego","Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview","Magnetochemistry","2023","9","6","155","","10.3390/magnetochemistry9060155","","","0.71073","MoKα","","0.0997","0.0515","","","0.0769","0.093","","","","","","1.01","","","","has coordinates","285019","2023-07-06","04:13:38",""
"1569461","6.3677","0.0002","9.3316","0.0004","10.8478","0.0004","65.191","0.001","80.533","0.001","73.042","0.001","559","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe Na7 Ni3 O28 P8 -","- Fe Na7 Ni3 O28 P8 -","- Fe Na7 Ni3 O28 P8 -","1","0.5","","El Arni, Sirine; Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Marssi, Mimoun; Lahmar, Abdelilah; El Ammari, Lahcen","Structural and Magnetic Investigations of the Novel Pyrophosphate Na7Ni3Fe(P2O7)4","Magnetochemistry","2023","9","7","162","","10.3390/magnetochemistry9070162","","","0.71073","MoKα","","0.0269","0.0261","","","0.0659","0.0663","","","","","","1.089","","","","has coordinates","285020","2023-07-06","04:14:02",""
"1569462","10.49212","0.00016","10.49212","0.00016","10.49212","0.00016","90","","90","","90","","1155.02","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.06 Se4 Zn0.94 -","- Cr2 Re0.06 Se4 Zn0.9401 -","- Cr16 Re0.48 Se32 Zn7.5208 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0242","0.0236","","","0.071","0.072","","","","","","1.176","","","","has coordinates","285021","2023-07-06","04:54:09",""
"1569463","10.49206","0.00019","10.49206","0.00019","10.49206","0.00019","90","","90","","90","","1155","0.04","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.07 Se4 Zn0.93 -","- Cr2 Re0.0701 Se4 Zn0.93 -","- Cr16 Re0.5608 Se32 Zn7.44 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0248","0.0245","","","0.076","0.0764","","","","","","1.172","","","","has coordinates","285022","2023-07-06","04:55:18",""
"1569464","10.49635","0.00014","10.49635","0.00014","10.49635","0.00014","90","","90","","90","","1156.42","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.1 Se4 Zn0.9 -","- Cr2 Re0.1001 Se4 Zn0.9 -","- Cr16 Re0.8008 Se32 Zn7.2 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0327","0.0326","","","0.1077","0.1078","","","","","","1.212","","","","has coordinates","285023","2023-07-06","04:56:09",""
"1569465","10.50025","0.00015","10.50025","0.00015","10.50025","0.00015","90","","90","","90","","1157.71","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.12 Se4 Zn0.88 -","- Cr2 Re0.12 Se4 Zn0.8801 -","- Cr16 Re0.96 Se32 Zn7.0408 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0417","0.0413","","","0.1259","0.1263","","","","","","1.169","","","","has coordinates","285024","2023-07-06","04:57:09",""
"1569466","10.49448","0.00014","10.49448","0.00014","10.49448","0.00014","90","","90","","90","","1155.8","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.08 Se4 Zn0.92 -","- Cr2 Re0.0799 Se4 Zn0.9202 -","- Cr16 Re0.6392 Se32 Zn7.3616 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0266","0.0266","","","0.0882","0.0882","","","","","","1.182","","","","has coordinates","285025","2023-07-06","04:58:18",""
"1569467","13.9073","0.0006","15.0023","0.0006","12.4269","0.0006","90","","90","","90","","2592.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.0452","0.0352","","","0.0762","0.0801","","","","","","1.051","","","","has coordinates","285026","2023-07-06","04:59:03",""
"1569468","13.8517","0.0005","14.9553","0.0006","12.3753","0.0005","90","","90","","90","","2563.62","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.055","0.0392","","","0.0762","0.0803","","","","","","1.058","","","","has coordinates","285027","2023-07-06","04:59:43",""
"1569469","17.4042","0.0003","16.0025","0.0003","13.5595","0.0002","90","","90","","90","","3776.47","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 Mn0.03 O23 P2 U3 -","- Ca2 H14 Mn0.025 O23 P2 U3 -","- Ca16 H112 Mn0.2 O184 P16 U24 -","8","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.0273","0.0203","","","0.036","0.0373","","","","","","1.028","","","","has coordinates","285028","2023-07-06","05:00:28",""
"1569470","13.6616","0.0001","19.0942","0.0001","25.6524","0.0002","90","","101.455","0.001","90","","6558.33","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 -","- C44 H44 -","- C352 H352 -","8","2","","Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J.","4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene","Molbank","2023","2023","2","M1663","","10.3390/M1663","","x-ray","1.54184","CuKα","","0.0417","0.0353","","","0.0883","0.0917","","","","","","1.047","","","","has coordinates","285029","2023-07-06","06:47:38",""
"1569471","13.6682","0.0001","19.089","0.0001","25.666","0.0001","90","","101.462","0.001","90","","6563.02","0.07","100.01","0.12","100.01","0.12","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 -","- C44 H44 -","- C352 H352 -","8","2","","Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J.","4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene","Molbank","2023","2023","2","M1663","","10.3390/M1663","","x-ray","1.54184","CuKα","","0.0404","0.0371","","","0.0904","0.0926","","","","","","1.032","","","","has coordinates","285030","2023-07-06","06:49:20",""
"1569472","17.7427","0.0013","7.4326","0.0005","15.5351","0.0012","90","","100.659","0.007","90","","2013.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 I N4 -","- C20 H15 Cl2 I N4 -","- C80 H60 Cl8 I4 N16 -","4","1","","Aragoni, M. Carla; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Podda, Enrico; Orton, James B.; Coles, Simon J.; Arca, Massimiliano","2-(5,6-Diphenyl-1,2,4-Triazin-3-yl)pyridinium Dichloroiodate (I)","Molbank","2023","2023","2","M1662","","10.3390/M1662","","","0.71073","MoKα","","0.0335","0.027","","","0.0604","0.0634","","","","","","1.072","","","","has coordinates","285031","2023-07-06","06:51:03",""
"1569473","14.3656","0.001","14.9057","0.0008","6.8654","0.0004","90","","90.238","0.006","90","","1470.07","0.16","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl2 Cu N2 O -","- C16 H10 Cl2 Cu N2 O -","- C64 H40 Cl8 Cu4 N8 O4 -","4","1","","Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming","Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.","Molecules (Basel, Switzerland)","2023","28","12","4876","","10.3390/molecules28124876","","","0.71073","MoKα","","0.0715","0.0461","","","0.0869","0.0933","","","","","","1.076","","","","has coordinates","285037","2023-07-06","08:40:24",""
"1569474","9.607","0.005","10.533","0.006","11.07","0.007","79.41","0.05","64.7","0.06","87.98","0.04","994.3","1.1","293","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O Zn -","- C21 H15 Cl2 N3 O Zn -","- C42 H30 Cl4 N6 O2 Zn2 -","2","1","","Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming","Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.","Molecules (Basel, Switzerland)","2023","28","12","4876","","10.3390/molecules28124876","","","0.71073","MoKα","","0.1161","0.0751","","","0.1902","0.2492","","","","","","1.009","","","","has coordinates","285038","2023-07-06","08:41:15",""
"1569475","7.08","0.004","11.346","0.006","13.326","0.007","107.037","0.008","100.842","0.009","105.105","0.009","946.7","0.9","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl2 Mn N2 O4 -","- C17 H18 Cl2 Mn N2 O4 -","- C34 H36 Cl4 Mn2 N4 O8 -","2","1","","Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming","Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.","Molecules (Basel, Switzerland)","2023","28","12","4876","","10.3390/molecules28124876","","","0.71073","MoKα","","0.0899","0.0459","","","0.1099","0.135","","","","","","0.959","","","","has coordinates","285039","2023-07-06","08:42:22",""
"1569476","13.614","0.003","4.898","0.001","17.322","0.004","90","","90.12","0.03","90","","1155.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C60 H36 N12 O8 -","4","2","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","0.7527","synchrotron","","0.0992","0.0659","","","0.1551","0.1708","","","","","","1.029","","","","has coordinates,has disorder","285040","2023-07-06","10:44:29",""
"1569477","5.0745","0.0001","12.3974","0.0002","25.5587","0.0004","90","","92.126","0.001","90","","1606.81","0.05","92","2","92","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O2 -","- C20 H14 N4 O2 -","- C80 H56 N16 O8 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","1.54178","CuKα","","0.0769","0.0464","","","0.1084","0.1251","","","","","","1.026","","","","has coordinates","285041","2023-07-06","10:45:22",""
"1569478","4.4961","0.0001","23.1804","0.0004","14.3978","0.0003","90","","98.812","0.001","90","","1482.85","0.05","150","2","150","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C15 H9 N3 O -","- C15 H9 N3 O -","- C60 H36 N12 O4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.","Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime","Pharmaceutics","2023","15","7","1802","","10.3390/pharmaceutics15071802","","","1.54178","CuKα","","0.0379","0.0368","","","0.1053","0.1062","","","","","","1.061","","","","has coordinates","285042","2023-07-06","10:45:52",""
"1569479","12.5846","0.0004","22.3829","0.0007","20.1826","0.0006","90","","90","","90","","5685","0.3","142","2","142","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H33 N O6 Si -","- C26 H33 N O6 Si -","- C208 H264 N8 O48 Si8 -","8","1","","Sang, Xinpeng; Mo, Yuhao; Li, Shiya; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Bimetallic tandem catalysis-enabled enantioselective cycloisomerization/carbonyl-ene reaction for construction of 5-oxazoylmethyl α-silyl alcohol.","Chemical science","2023","14","31","8315","8320","10.1039/d3sc01048a","","","1.54178","CuKα","","0.0268","0.0252","","","0.063","0.0644","","","","","","1.037","","","","has coordinates","286066","2023-09-05","19:19:47",""
"1569480","21.8311","0.0011","8.2255","0.0004","29.1754","0.0014","90","","93.759","0.004","90","","5227.8","0.4","113.15","","113.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethyl (E)-3-(3-((3-(2-cyanophenyl)-2,5-dimethyl-1H-indol-1-yl)sulfonyl)-5-methylphenyl)acrylate","","- C29.5 H28 N2 O4.5 S -","- C29.5 H28 N2 O4.5 S -","- C236 H224 N16 O36 S8 -","8","1","","Zhang, Pengfei; Jiang, Zhiwei; Fan, Zhoulong; Li, Guoshuai; Ma, Qingxue; Huang, Jun; Tang, Jinghong; Xu, Xiaohua; Yu, Jin-Quan; Jin, Zhong","Macrocyclization <i>via</i> remote <i>meta</i>-selective C-H olefination using a practical indolyl template.","Chemical science","2023","14","31","8279","8287","10.1039/d3sc01670f","","x-ray","0.71073","MoKα","","0.1549","0.0815","","","0.1636","0.2054","","","","","","1.036","","","","has coordinates,has disorder","286065","2023-09-05","19:19:34",""
"1569481","11.7561","0.0008","13.8748","0.001","14.2785","0.001","88.744","0.003","75.329","0.004","66.116","0.003","2051.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 B Cu F4 N4 O8 -","- C48 H40 B Cu F4 N4 O8 -","- C96 H80 B2 Cu2 F8 N8 O16 -","2","1","","Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A.","Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes.","Faraday discussions","2023","244","0","391","410","10.1039/d3fd00027c","","","1.54178","CuKα","","0.1225","0.0902","","","0.2439","0.2747","","","","","","1.066","","","","has coordinates","286134","2023-09-05","19:55:01",""
"1569482","17.2437","0.0018","10.7278","0.001","29.075","0.003","90","","103.722","0.005","90","","5225","0.9","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 B Cu F4 N2 O5 P2 -","- C60 H48 B Cu F4 N2 O5 P2 -","- C240 H192 B4 Cu4 F16 N8 O20 P8 -","4","1","","Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A.","Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes.","Faraday discussions","2023","244","0","391","410","10.1039/d3fd00027c","","","0.71073","MoKα","","0.2138","0.0931","","","0.2018","0.2538","","","","","","1.023","","","","has coordinates,has disorder","286134","2023-09-05","19:55:01",""
"1569483","11.241","0.0005","14.6532","0.0008","18.4225","0.0008","73.672","0.003","86.086","0.003","70.147","0.003","2737.8","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H52 B Cu F4 N2 O5 P2 -","- C63 H52 B Cu F4 N2 O5 P2 -","- C126 H104 B2 Cu2 F8 N4 O10 P4 -","2","1","","Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A.","Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes.","Faraday discussions","2023","244","0","391","410","10.1039/d3fd00027c","","","1.54178","CuKα","","0.1433","0.0972","","","0.2549","0.3025","","","","","","1.033","","","","has coordinates,has disorder","286134","2023-09-05","19:55:01",""
"1569484","10.2913","0.0002","16.4105","0.0003","13.1029","0.0003","90","","92.4886","0.0018","90","","2210.8","0.08","178","","178","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Cu N3 O4 S -","- C18 H39 Cu N3 O4 S -","- C72 H156 Cu4 N12 O16 S4 -","4","1","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.0256","0.0236","","","0.0672","0.068","","","","","","1.086","","","","has coordinates","286023","2023-09-05","18:45:56",""
"1569485","10.9907","0.0008","10.9907","0.0008","23.1929","0.0016","90","","90","","120","","2426.3","0.3","178","","178","","","","","","","","","7","P -3","-P 3","147","","","","- C18 H10 Cl Cu F6 N3 P -","- C19.5 H42 Cl Cu F6 N3 P -","- C78 H168 Cl4 Cu4 F24 N12 P4 -","4","0.666667","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.1336","0.1213","","","0.3052","0.3133","","","","","","1.048","","","","has coordinates","286023","2023-09-05","18:45:57",""
"1569486","21.2891","0.0004","8.1032","0.0001","36.4586","0.0007","90","","90","","90","","6289.47","0.19","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H32 F4 O8 -","- C36 H32 F4 O8 -","- C288 H256 F32 O64 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.078","0.0731","","","0.1888","0.1945","","","","","","1.06","","","","has coordinates,has disorder","286068","2023-09-05","19:20:47",""
"1569487","10.6793","0.0003","11.6277","0.0002","12.141","0.0003","72.256","0.002","77.897","0.002","64.159","0.002","1287.12","0.06","169.98","0.11","169.98","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0524","0.0488","","","0.1345","0.1373","","","","","","1.054","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569488","11.6918","0.0001","8.0303","0.0001","23.5644","0.0002","90","","90.325","0.001","90","","2212.39","0.04","169.99","0.11","169.99","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F4 O4 -","- C28 H20 F4 O4 -","- C112 H80 F16 O16 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0397","0.0361","","","0.0956","0.0982","","","","","","1.055","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569489","17.2008","0.0002","8.132","0.0001","33.0797","0.0003","90","","91.243","0.001","90","","4626","0.09","169.99","0.11","169.99","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 F8 O4 -","- C28 H16 F8 O4 -","- C224 H128 F64 O32 -","8","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0367","","","0.1005","0.1025","","","","","","1.049","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569490","10.0405","0.0001","11.2749","0.0002","12.924","0.0002","104.28","0.001","105.195","0.001","98.368","0.001","1333.29","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O8 -","- C32 H24 F4 O8 -","- C64 H48 F8 O16 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.1025","0.1035","","","","","","1.053","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569491","10.4892","0.0002","7.6223","0.0001","34.5522","0.0006","90","","94.927","0.002","90","","2752.3","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O8 -","- C32 H24 F4 O8 -","- C128 H96 F16 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0448","0.0381","","","0.0965","0.1005","","","","","","1.023","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569492","12.7227","0.0004","12.7227","0.0004","23.8456","0.0005","90","","90","","90","","3859.82","0.19","225","40","225","40","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C78 H60 F8 N8 O8 S4 -","- C78 H60 F8 N8 O8 S4 -","- C156 H120 F16 N16 O16 S8 -","2","0.25","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0649","0.041","","","0.102","0.1151","","","","","","1.023","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569493","8.8879","0.0002","13.4255","0.0005","14.8388","0.0004","101.412","0.003","103.513","0.002","101.034","0.003","1634.29","0.09","172.98","0.17","172.98","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C72 H60 F8 N8 O12 S2 -","- C72 H60 F8 N8 O12 S2 -","- C72 H60 F8 N8 O12 S2 -","1","0.5","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1457","0.1171","","","0.2816","0.2904","","","","","","1.103","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569494","12.4912","0.0003","12.4912","0.0003","23.9051","0.0007","90","","90","","90","","3729.91","0.17","174","3","174","3","","","","","","","","7","P -4 c 2","P -4 -2c","116","","","","- C68 H57 Cl5 F8 N8 O10 S4 -","- C68 H57 Cl3 F8 N8 O10 S4 -","- C136 H114 Cl6 F16 N16 O20 S8 -","2","0.25","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1088","0.0922","","","0.2541","0.2765","","","","","","1.001","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569495","21.3087","0.0003","11.0893","0.0002","37.4232","0.0005","90","","90.386","0.001","90","","8842.8","0.2","105","4","105","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl2 N8 O6 S2 -","- C44 H38 Cl2 N8 O6 S2 -","- C352 H304 Cl16 N64 O48 S16 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0874","0.0769","","","0.2023","0.2115","","","","","","1.04","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569496","13.7566","0.0003","14.5509","0.0003","18.1357","0.0004","83.2409","0.0018","87.432","0.002","63.772","0.002","3233.74","0.13","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H48 Cl0.5 N8 O6 S14 -","- C61 H48 Cl0.5 N8 O6 S14 -","- C122 H96 Cl N16 O12 S28 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0835","0.0743","","","0.2201","0.2322","","","","","","1.086","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569497","11.22933","0.00019","23.1073","0.0006","13.31714","0.00019","90","","90.7038","0.0014","90","","3455.26","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H55.5 F8 N10.5 O11 S2 -","- C70 H55.5 F8 N10.5 O11 S2 -","- C140 H111 F16 N21 O22 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1012","0.0962","","","0.2736","0.2803","","","","","","1.082","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569498","10.6803","0.0007","12.0458","0.0008","23.3062","0.0019","90","","90","","90","","2998.4","0.4","112","8","112","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.032","0.0316","","","0.0829","0.0832","","","","","","1.09","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569499","8.927","0.0002","13.6209","0.0003","14.7225","0.0003","101.208","0.002","104.314","0.002","101.04","0.002","1646.58","0.07","173","0.1","173","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","1","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0592","0.057","","","0.1691","0.1726","","","","","","0.909","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569500","9.5906","0.0002","15.6459","0.0003","16.7187","0.0002","76.438","0.001","89.655","0.002","73.552","0.002","2334.04","0.08","137","50","137","50","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 F4 N8 O8 S2 -","- C48 H42 F4 N8 O8 S2 -","- C96 H84 F8 N16 O16 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0709","0.0628","","","0.1594","0.1658","","","","","","1.015","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569501","10.6362","0.0005","18.0095","0.0011","26.978","0.002","90","","94.741","0.006","90","","5150","0.6","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H36 Cl F4 N8 O6 S6 -","- C49 H36 Cl F4 N8 O6 S6 -","- C196 H144 Cl4 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1602","0.1335","","","0.278","0.2956","","","","","","1.019","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569502","10.46661","0.0001","23.8858","0.0003","24.0457","0.0002","86.0189","0.0009","82.6961","0.0008","88.0689","0.0009","5946.46","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 Cl3 F4 N8 O6 S10 -","- C55 H39 Cl3 F4 N8 O6 S10 -","- C220 H156 Cl12 F16 N32 O24 S40 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.094","0.0869","","","0.2143","0.2175","","","","","","1.084","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569503","10.6988","0.0004","17.9646","0.0007","27.0532","0.0016","90","","94.936","0.005","90","","5180.3","0.4","172.99","0.1","172.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C198 H148 Cl6 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","","1.54184","CuKα","","0.1504","0.1297","","","0.295","0.3081","","","","","","1.046","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569504","10.48012","0.00013","19.7332","0.0002","14.464","0.0002","90","","108.582","0.0015","90","","2835.31","0.06","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F8 N8 O10 S2 -","- C64 H44 F8 N8 O10 S2 -","- C128 H88 F16 N16 O20 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0453","0.0413","","","0.1091","0.1121","","","","","","1.03","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569505","21.6918","0.0002","21.6918","0.0002","24.6601","0.0002","90","","90","","120","","10048.9","0.15","172.99","0.1","172.99","0.1","","","","","","","","6","R 3 :H","R 3","146","","","","- C43.67 H35.67 Cl5 N8 O6 S2 -","- C43.6667 H35.6667 Cl5 N8 O6 S2 -","- C393 H321 Cl45 N72 O54 S18 -","9","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0559","0.0554","","","0.1649","0.1658","","","","","","1.041","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569506","10.4191","0.0002","18.3885","0.0003","26.4258","0.0006","73.686","0.002","88.364","0.002","89.845","0.001","4857.05","0.17","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F4 N8 O7 S6 -","- C50 H38 F4 N8 O7 S6 -","- C200 H152 F16 N32 O28 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1215","0.114","","","0.3014","0.308","","","","","","1.068","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569507","7.2901","0.0002","10.5132","0.0003","11.868","0.0004","71.203","0.001","79.002","0.001","83.411","0.001","843.87","0.04","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Paul, Shashwati; Adelfinsky, Daniel; Salome, Christophe; Fessard, Thomas; Brown, M. Kevin","2,5-disubstituted bicyclo[2.1.1]hexanes as rigidified cyclopentane variants.","Chemical science","2023","14","30","8070","8075","10.1039/d3sc02695g","","","0.71073","MoKα","","0.0645","0.0466","","","0.1149","0.1246","","","","","","1.024","","","","has coordinates,has disorder","286060","2023-09-05","19:18:23",""
"1569508","13.652","0.004","13.696","0.003","22.841","0.006","104.719","0.005","92.059","0.004","119.705","0.004","3520.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 F72 K3 Mn3 O22 -","- C36 H22 F72 K3 Mn3 O22 -","- C72 H44 F144 K6 Mn6 O44 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","0.71073","MoKα","","0.0707","0.0551","","","0.1131","0.1183","","","","","","1.162","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569509","10.5904","0.0005","11.1918","0.0006","15.4733","0.0007","90","","104.621","0.002","90","","1774.59","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F24 K Mn O10 -","- C24 H24 F24 K Mn O10 -","- C48 H48 F48 K2 Mn2 O20 -","2","0.5","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","x-ray","0.71073","MoKα","","0.0543","0.0443","","","0.1107","0.1191","","","","","","1.025","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569510","21.074","0.003","8.3424","0.0008","20.453","0.002","90","","105.829","0.005","90","","3459.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JLSI173","","","- C12 H15 F12 Mn0.5 N2 O2 -","- C12 H15 F12 Mn0.5 N2 O2 -","- C96 H120 F96 Mn4 N16 O16 -","8","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","0.71073","MoKα","","0.046","0.0292","","","0.0639","0.0723","","","","","","1.01","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569511","12.3223","0.0009","12.4204","0.0009","21.1886","0.0015","90.325","0.002","91.037","0.002","108.842","0.002","3068.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F48 K4 Mn2 O14 -","- C36 H26 F48 K4 Mn2 O14 -","- C72 H52 F96 K8 Mn4 O28 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","x-ray","0.71073","MoKα","","0.0728","0.0463","","","0.0961","0.105","","","","","","1.051","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569512","11.3681","0.0005","11.9761","0.0006","16.7124","0.0008","78.016","0.002","70.97","0.002","84.166","0.002","2102.67","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 F24 K2 Mn O8 -","- C27 H37.0012 F24 K2 Mn O8 -","- C54 H74.0024 F48 K4 Mn2 O16 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","1.54178","CuKα","","0.0717","0.0677","","","0.1874","0.1904","","","","","","1.049","","","","has coordinates,has disorder","286061","2023-09-05","19:18:42",""
"1569513","10.6371","0.0003","19.9621","0.0005","14.4091","0.0003","90","","109.29","0.003","90","","2887.84","0.14","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 B N2 P2 Pd -","- C26 H49 B N2 P2 Pd -","- C104 H196 B4 N8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","","1.54184","CuKα","","0.0861","0.0787","","","0.2066","0.2222","","","","","","1.055","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569514","12.9206","0.0009","17.1954","0.0013","14.897","0.001","90","","103.79","0.007","90","","3214.3","0.4","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 B N2 P2 Pd -","- C31 H51 B N2 P2 Pd -","- C124 H204 B4 N8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0882","0.0466","","","0.0777","0.0871","","","","","","0.998","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569515","7.8548","0.0001","11.0879","0.0001","17.8239","0.0002","104.218","0.001","94.747","0.001","100.443","0.001","1466.62","0.03","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H51 B N2 P2 Pd -","- C27 H51 B N2 P2 Pd -","- C54 H102 B2 N4 P4 Pd2 -","2","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0273","0.0249","","","0.0594","0.0605","","","","","","1.064","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569516","9.9648","0.0003","13.3134","0.0004","14.9073","0.0004","85.337","0.002","79.407","0.003","89.959","0.002","1937.34","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H122 B2 N4 P4 Pd2 -","- C78 H122 B2 N4 P4 Pd2 -","- C78 H122 B2 N4 P4 Pd2 -","1","0.5","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1124","0.116","","","","","","1.048","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569517","10.1464","0.0008","11.2723","0.0008","15.0798","0.001","71.643","0.006","89.513","0.006","83.927","0.006","1627.2","0.2","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H102 B2 N4 P4 Pd2 -","- C60 H102 B2 N4 P4 Pd2 -","- C60 H102 B2 N4 P4 Pd2 -","1","0.5","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0871","0.065","","","0.1535","0.1637","","","","","","0.994","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569518","24.5886","0.0007","11.3054","0.0003","29.5087","0.0007","90","","114.397","0.003","90","","7470.5","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H114 B2 N4 P4 Pd2 -","- C74 H114 B2 N4 P4 Pd2 -","- C296 H456 B8 N16 P16 Pd8 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","","1.54184","CuKα","","0.0834","0.0789","","","0.1878","0.1899","","","","","","1.176","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569519","14.9723","0.0007","11.4923","0.0006","23.5265","0.0014","90","","105.439","0.006","90","","3902","0.4","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H65 B N2 O P2 Pd -","- C37 H65 B N2 O P2 Pd -","- C148 H260 B4 N8 O4 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0627","0.0403","","","0.0696","0.0741","","","","","","1.02","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569520","11.8927","0.0007","19.9252","0.0009","13.4943","0.0008","90","","112.762","0.007","90","","2948.6","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B N2 O2 P2 Pd -","- C27 H49 B N2 O2 P2 Pd -","- C108 H196 B4 N8 O8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.041","0.0295","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569521","36.5512","0.0013","8.0925","0.0002","21.4368","0.0006","90","","103.208","0.003","90","","6173.1","0.3","93.15","","93.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H49 B N2 P2 Pd -","- C30 H49 B N2 P2 Pd -","- C240 H392 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0399","0.0376","","","0.0834","0.0847","","","","","","1.096","","","","has coordinates,has disorder","286063","2023-09-05","19:19:12",""
"1569522","5.6355","0.0005","9.705","0.0009","14.0179","0.0013","87.811","0.008","79.902","0.008","87.432","0.008","753.68","0.12","100.01","0.11","100.01","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 N6 -","- C18 H16 N6 -","- C36 H32 N12 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","0.71073","MoKα","","0.0975","0.0637","","","0.14","0.1621","","","","","","1.042","","","","has coordinates","286039","2023-09-05","19:08:58",""
"1569523","10.1145","0.0005","10.504","0.0006","17.3505","0.0007","74.354","0.004","86.08","0.004","61.495","0.006","1555.91","0.17","99.98","0.1","99.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F8 N16 O2 Pd -","- C63 H60 B2 F8 N16 O2 Pd -","- C63 H60 B2 F8 N16 O2 Pd -","1","0.5","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0982","0.0948","","","0.249","0.2592","","","","","","1.199","","","","has coordinates,has disorder","286039","2023-09-05","19:08:59",""
"1569524","7.9819","0.0001","10.3824","0.0001","14.2482","0.0003","90","","94.673","0.002","90","","1176.84","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 F8 N8 Pd -","- C16 H24 B2 F8 N8 Pd -","- C32 H48 B4 F16 N16 Pd2 -","2","0.5","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0337","0.0336","","","0.0826","0.0826","","","","","","1.0408","","","","has coordinates","286039","2023-09-05","19:08:59",""
"1569525","11.6471","0.0005","15.816","0.0007","25.1824","0.001","102.42","0.004","99.049","0.003","100.243","0.004","4364.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C75 H73 B4 F16 N27 O6 Pd Pt -","- C74 H70 B3 F12 N26 O4 Pd Pt -","- C148 H140 B6 F24 N52 O8 Pd2 Pt2 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.1027","0.0694","","","0.1616","0.1861","","","","","","1.0423","","","","has coordinates","286039","2023-09-05","19:08:59",""
"1569526","13.8621","0.0002","14.0385","0.0003","27.2264","0.0006","79.615","0.002","75.366","0.002","89.377","0.002","5039.14","0.18","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C83 H82 B4 F16 N29 O3 Pd Pt S -","- C79 H76 B2 F8 N27 O3 Pd Pt S -","- C158 H152 B4 F16 N54 O6 Pd2 Pt2 S2 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0787","0.071","","","0.1775","0.1804","","","","","","1.029","","","","has coordinates,has disorder","286039","2023-09-05","19:08:59",""
"1569527","10.119","0.0004","13.7179","0.0005","15.1622","0.0006","80.631","0.002","77.512","0.002","74.361","0.002","1966.56","0.13","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 N2 O4 -","- C52 H48 N2 O4 -","- C104 H96 N4 O8 -","2","1","","Leng, Mingwan; Koripally, Nandu; Huang, Junjie; Vriza, Aikaterini; Lee, Kyeong Yeon; Ji, Xiaozhou; Li, Chenxuan; Hays, Megan; Tu, Qing; Dunbar, Kim; Xu, Jie; Ng, Tse Nga; Fang, Lei","Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers.","Materials horizons","2023","10","10","4354","4364","10.1039/d3mh00883e","","","1.54178","CuKα","","0.0595","0.0489","","","0.1339","0.1431","","","","","","1.035","","","","has coordinates,has disorder","286817","2023-10-06","00:54:57",""
"1569528","13.0055","0.0005","13.0942","0.0005","18.4103","0.0007","91.925","0.002","92.264","0.002","116.058","0.001","2809.78","0.19","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C55.8 H55.6 Br Cl7.6 N2 O4 -","- C55.8 H55.6 Br Cl7.6 N2 O4 -","- C111.6 H111.2 Br2 Cl15.2 N4 O8 -","2","1","","Leng, Mingwan; Koripally, Nandu; Huang, Junjie; Vriza, Aikaterini; Lee, Kyeong Yeon; Ji, Xiaozhou; Li, Chenxuan; Hays, Megan; Tu, Qing; Dunbar, Kim; Xu, Jie; Ng, Tse Nga; Fang, Lei","Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers.","Materials horizons","2023","10","10","4354","4364","10.1039/d3mh00883e","","","1.54178","CuKα","","0.0535","0.0523","","","0.1409","0.142","","","","","","1.03","","","","has coordinates,has disorder","286817","2023-10-06","00:54:58",""
"1569529","24.6382","0.0014","10.7607","0.0006","18.6232","0.0018","90","","124.745","0.001","90","","4057.1","0.5","110","","110","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H70 N2 -","- C48 H70 N2 -","- C192 H280 N8 -","4","0.5","","Leng, Mingwan; Koripally, Nandu; Huang, Junjie; Vriza, Aikaterini; Lee, Kyeong Yeon; Ji, Xiaozhou; Li, Chenxuan; Hays, Megan; Tu, Qing; Dunbar, Kim; Xu, Jie; Ng, Tse Nga; Fang, Lei","Synthesis and exceptional operational durability of polyaniline-inspired conductive ladder polymers.","Materials horizons","2023","10","10","4354","4364","10.1039/d3mh00883e","","x-ray","0.71073","MoKα","","0.0445","0.0376","","","0.0926","0.0989","","","","","","1.031","","","","has coordinates","286817","2023-10-06","00:54:58",""
"1569530","9.6678","0.0008","10.9294","0.0011","11.7231","0.0008","90","","93.395","0.007","90","","1236.53","0.18","293.27","0.1","293.27","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-(2-methylanilino)benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","BV4047","Liu, Chenxin; Long, Sihui","4-Methyl-2-(2-methylanilino)benzoic acid","IUCrData","2023","8","7","","","10.1107/S2414314623005990","","x-ray","1.54184","CuKα","","0.0565","0.0447","","","0.1185","0.1306","","","","","","1.041","","","","has coordinates","285222","2023-07-15","01:58:45",""
"1569531","8.95081","0.00017","6.5411","0.00015","21.9729","0.0004","90","","91.2391","0.0018","90","","1286.17","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(4-methylphenoxy)benzoic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","HB4431","Lu, Kangkang; Long, Sihui","3-Methyl-2-(4-methylphenoxy)benzoic acid","IUCrData","2023","8","7","","","10.1107/S2414314623006004","","x-ray","1.54184","CuKα","","0.0464","0.0421","","","0.1193","0.1235","","","","","","1.082","","","","has coordinates","285223","2023-07-15","01:59:14",""
"1569532","4.91237","0.00015","10.3037","0.0003","12.5876","0.0003","105.89","0.002","96.422","0.002","99.361","0.002","596.36","0.03","268.1","0.5","268.1","0.5","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","VM4061","Tian, Guimiao; Long, Sihui","N-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","","","10.1107/S2414314623006028","","x-ray","1.54184","CuKα","","0.0649","0.0596","","","0.1755","0.1837","","","","","","1.09","","","","has coordinates","285224","2023-07-15","01:59:49",""
"1569533","7.373","0.0006","8.0091","0.0006","10.8545","0.0006","97.296","0.006","95.228","0.006","102.149","0.007","616.93","0.08","297.4","0.14","297.4","0.14","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C12 H8 Cl2 N2 O2 -","- C12 H8 Cl2 N2 O2 -","- C24 H16 Cl4 N4 O4 -","2","1","WM4188","Tu, Ni; Long, Sihui","N-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","","","10.1107/S241431462300603X","","x-ray","1.54184","CuKα","","0.0789","0.0766","","","0.2064","0.2099","","","","","","1.033","","","","has coordinates","285225","2023-07-15","02:00:10",""
"1569534","11.3071","0.0012","22.044","0.003","21.557","0.003","90","","104.775","0.007","90","","5195.5","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[1,4-Di(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–\ 1,4-dibromobutane (1/1)","","- C55 H66 Br2 O10 -","- C55 H66 Br2 O10 -","- C220 H264 Br8 O40 -","4","0.5","XU4051","Vinodh, Mickey; Al-Azemi, Talal F.","1-[1,4-Bis(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–1,4-dibromobutane 1:1 inclusion complex","IUCrData","2023","8","7","","","10.1107/S2414314623005886","","","0.71075","MoKα","","0.1376","0.073","","","0.2142","0.2513","","","","","","1.045","","","","has coordinates,has disorder","285226","2023-07-15","02:00:33",""
"1569535","14.0775","0.0003","14.0775","0.0003","24.3492","0.0008","90","","90","","90","","4825.4","0.2","173","0.1","173","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","","- C34 H76 Cl8 Mn N2 -","- C34 H76 Cl8 Mn N2 -","- C136 H304 Cl32 Mn4 N8 -","4","0.25","WM4191","Hay, Michael T.; Yennawar, Hemant P.","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","IUCrData","2023","8","7","","","10.1107/S2414314623006107","","x-ray","1.54184","CuKα","","0.1062","0.0754","","","0.2016","0.2215","","","","","","1.064","","","","has coordinates","285227","2023-07-15","02:00:57",""
"1569536","6.68228","0.0001","11.79159","0.00018","13.1717","0.0002","90","","90","","90","","1037.86","0.03","275.8","0.2","275.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Oxo-<i>N</i>-phenyl-1,4-dihydropyridine-3-carboxamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","IM4020","Shu, Xi; Long, Sihui","4-Oxo-N-phenyl-1,4-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","","","10.1107/S2414314623006016","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0819","0.0827","","","","","","1.06","","","","has coordinates","285228","2023-07-15","02:01:18",""
"1569537","10.8865","0.0002","10.31441","0.00018","11.0885","0.0002","90","","113.817","0.003","90","","1139.07","0.04","288.2","0.2","288.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-Chloroanilino)benzoic acid","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","BT4139","Liu, Xiaoting; Long, Sihui","4-(3-Chloroanilino)benzoic acid","IUCrData","2023","8","7","","","10.1107/S2414314623005989","","x-ray","1.54184","CuKα","","0.0496","0.0466","","","0.1388","0.1426","","","","","","1.079","","","","has coordinates","285229","2023-07-15","02:01:39",""
"1569538","9.5313","0.0003","14.4824","0.0005","16.6299","0.0005","90","","90","","90","","2295.53","0.13","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C120 H88 N8 O4 -","4","1","","Zhu, Xiaohan; Wu, Hongli; Wang, Yishou; Huang, Genping; Wang, Fen; Li, Xingwei","Rhodium-catalyzed annulative approach to N-N axially chiral biaryls <i>via</i> C-H activation and dynamic kinetic transformation.","Chemical science","2023","14","32","8564","8569","10.1039/d3sc02800c","","","1.54178","CuKα","","0.0301","0.0288","","","0.0732","0.0747","","","","","","1.067","","","","has coordinates","286044","2023-09-05","19:10:10",""
"1569539","9.1016","0.0001","9.8723","0.0001","17.9089","0.0002","90","","90","","90","","1609.18","0.03","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0259","0.0256","","","0.0687","0.069","","","","","","1.061","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569540","10.5662","0.0007","6.4254","0.0004","14.2474","0.0009","90","","91.616","0.003","90","","966.9","0.11","249.97","","249.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","","1.54178","CuKα","","0.0431","0.0283","","","0.0742","0.0768","","","","","","1.075","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569541","6.4486","0.0003","18.6265","0.0008","7.3386","0.0003","90","","100.102","0.004","90","","867.81","0.07","175","6","175","6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0809","0.0818","","","","","","1.082","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569542","7.0388","0.0001","31.5073","0.0003","7.1572","0.0001","90","","103.361","0.001","90","","1544.32","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0809","0.082","","","","","","1.045","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569543","9.6532","0.0001","12.5544","0.0001","25.5448","0.0003","90","","90","","90","","3095.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O6 Si -","- C34 H39 N O6 Si -","- C136 H156 N4 O24 Si4 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0285","0.0282","","","0.0757","0.0759","","","","","","1.067","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569544","12.6318","0.0001","7.1496","0.0001","15.6842","0.0001","90","","101.237","0.001","90","","1389.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O8 S -","- C30 H31 N O8 S -","- C60 H62 N2 O16 S2 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0242","0.024","","","0.0628","0.0631","","","","","","1.025","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569545","8.9746","0.0003","9.7722","0.0003","12.9941","0.0004","89.169","0.002","76.315","0.002","69.111","0.003","1031.41","0.06","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0336","0.0317","","","0.0778","0.0792","","","","","","1.0394","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569546","14.2995","0.0003","14.2995","0.0003","24.3801","0.001","90","","90","","120","","4317.3","0.2","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIP-213(Al)","Aluminum cloride (5, 5'-Methylenediisophthalate)","","- C144 Al18 Cl6 O93 -","- C144 Al18 Cl6 O93.9999 -","- C144 Al18 Cl6 O93.9999 -","1","0.0416667","","Nandi, Shyamapada; Mansouri, Asma; Dovgaliuk, Iurii; Boullay, Philippe; Patriarche, Gilles; Cornu, Ieuan; Florian, Pierre; Mouchaham, Georges; Serre, Christian","A robust ultra-microporous cationic aluminum-based metal-organic framework with a flexible tetra-carboxylate linker","Communications Chemistry","2023","6","1","1","8","10.1038/s42004-023-00938-x","powder diffraction","","","CuKalpha1","","","","","","","","","13.1259","5.7837","","","","","","","has coordinates","285246","2023-07-17","15:18:42",""
"1569547","18.9076","0.0003","11.49805","0.00018","14.5081","0.0002","90","","100.559","0.0015","90","","3100.66","0.08","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N4 O3 Ru S -","- C32 H31 F3 N4 O3 Ru S -","- C128 H124 F12 N16 O12 Ru4 S4 -","4","1","","Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin","Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex","Catalysis Science & Technology","2023","13","19","5625","5631","10.1039/D3CY00512G","","x-ray","1.54184","CuKα","","0.0818","0.0766","","","0.2636","0.2785","","","","","","1.203","","","","has coordinates,has disorder","286693","2023-10-05","23:25:22",""
"1569548","20.26618","0.00017","10.02851","0.00008","20.44489","0.00017","90","","101.764","0.0009","90","","4067.94","0.06","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl2 F12 N4 P2 Ru -","- C32 H34 Cl2 F12 N4 P2 Ru -","- C128 H136 Cl8 F48 N16 P8 Ru4 -","4","1","","Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin","Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex","Catalysis Science & Technology","2023","13","19","5625","5631","10.1039/D3CY00512G","","x-ray","0.71073","MoKα","","0.0397","0.0334","","","0.0836","0.0874","","","","","","1.036","","","","has coordinates,has disorder","286693","2023-10-05","23:25:22",""
"1569549","7.68726","0.00003","16.93199","0.00008","13.38321","0.00007","90","","94.5657","0.0004","90","","1736.44","0.014","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl2 F2 O4 P2 -","- C30 H50 Cl2 F2 O4 P2 -","- C60 H100 Cl4 F4 O8 P4 -","2","0.5","","Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph","Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.","Chemical science","2023","14","32","8583","8591","10.1039/d3sc01725g","","x-ray","1.54184","CuKα","","0.0277","0.0269","","","0.073","0.0736","","","","","","1.069","","","","has coordinates","286042","2023-09-05","19:09:46",""
"1569550","11.9371","0.0008","15.3069","0.0007","17.4558","0.0006","78.259","0.004","76.68","0.004","69.65","0.005","2883.3","0.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 Cl8 O3 P4 -","- C52 H74 Cl8 O3 P4 -","- C104 H148 Cl16 O6 P8 -","2","1","","Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph","Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.","Chemical science","2023","14","32","8583","8591","10.1039/d3sc01725g","","x-ray","0.71073","MoKα","","0.1079","0.0571","","","0.1081","0.1304","","","","","","1.041","","","","has coordinates","286042","2023-09-05","19:09:46",""
"1569551","9.7239","0.0007","9.09","0.0005","11.1927","0.0008","90","","97.359","0.007","90","","981.18","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H32.97 B Br0.03 -","- C22 H32.966 B Br0.034 -","- C44 H65.932 B2 Br0.068 -","2","0.5","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.1138","0.0809","","","0.2164","0.2398","","","","","","0.925","","","","has coordinates,has disorder","286077","2023-09-05","19:23:31",""
"1569552","16.9907","0.0002","10.5544","0.0001","18.3576","0.0002","90","","96.476","0.001","90","","3271","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 B N -","- C38 H56 B N -","- C152 H224 B4 N4 -","4","1","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0507","0.0424","","","0.1063","0.111","","","","","","1.03","","","","has coordinates","286077","2023-09-05","19:23:31",""
"1569553","17.166","0.0002","10.5271","0.0001","18.3364","0.0002","90","","96.403","0.001","90","","3292.87","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B N -","- C39 H58 B N -","- C156 H232 B4 N4 -","4","1","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.044","0.0389","","","0.0985","0.1016","","","","","","1.061","","","","has coordinates","286077","2023-09-05","19:23:31",""
"1569554","21.6196","0.0019","12.2443","0.001","19.8455","0.0016","90","","99.296","0.003","90","","5184.4","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris771b (Hemanta Deka)","","","- C39 H80 N6 Si6 Th -","- C39 H80 N6 Si6 Th -","- C156 H320 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.0578","0.0304","","","0.05","0.0563","","","","","","0.971","","","","has coordinates","286067","2023-09-05","19:20:00",""
"1569555","20.597","0.011","12.447","0.008","21","0.011","90","","98.366","0.015","90","","5326","5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris710b (Hemanta Deka)","","","- C40 H82 N6 Si6 Th -","- C40 H82 N6 Si6 Th -","- C160 H328 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.0872","0.0406","","","0.0789","0.0898","","","","","","0.869","","","","has coordinates","286067","2023-09-05","19:20:01",""
"1569556","20.8858","0.0018","12.2278","0.0011","24.084","0.002","90","","112.951","0.002","90","","5663.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris703b (Hemanta Deka)","","","- C44 H91 N6 Si6 Th -","- C44 H91 N6 Si6 Th -","- C176 H364 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.1136","0.0482","","","0.066","0.0805","","","","","","0.981","","","","has coordinates","286067","2023-09-05","19:20:01",""
"1569557","44.2057","0.0009","7.381","0.0001","5.6064","0.0001","90","","92.306","0.002","90","","1827.79","0.06","298.5","0.7","298.5","0.7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H30 O S -","- C19 H30 O S -","- C76 H120 O4 S4 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.035","0.0347","","","0.0998","0.1001","","","","","","1.04","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569558","6.4602","0.0001","10.587","0.0002","11.9686","0.0003","69.336","0.002","76.155","0.002","85.538","0.001","743.65","0.03","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","","1.54184","CuKα","","0.0354","0.0333","","","0.0894","0.0914","","","","","","1.077","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569559","11.1315","0.0004","16.475","0.0006","10.7131","0.0004","90","","90","","90","","1964.69","0.12","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0556","0.0482","","","0.1261","0.1418","","","","","","1.108","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569560","5.7084","0.0001","12.2516","0.0002","25.4722","0.0004","88.897","0.001","89.808","0.001","83.742","0.001","1770.51","0.05","100.1","0.5","100.1","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 O6 -","- C44 H44 O6 -","- C88 H88 O12 -","2","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0523","0.0481","","","0.1229","0.1264","","","","","","1.025","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569561","10.1319","0.0007","25.5792","0.0018","12.5674","0.0009","90","","90.459","0.002","90","","3256.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-hydroxy-5-methoxy-2,7-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C144 H160 N16 O40 -","8","2","","Kuntze, Kim; Pooler, Daisy R. S.; Di Donato, Mariangela; Hilbers, Michiel F.; van der Meulen, Pieter; Buma, Wybren Jan; Priimagi, Arri; Feringa, Ben L.; Crespi, Stefano","A visible-light-driven molecular motor based on barbituric acid.","Chemical science","2023","14","32","8458","8465","10.1039/d3sc03090c","","","1.54178","CuKα","","0.0449","0.0348","","","0.0834","0.0853","","","","","","1.046","","","","has coordinates","286037","2023-09-05","19:07:58",""
"1569562","17.0483","0.0014","4.7023","0.0004","30.687","0.003","90","","103.37","0.002","90","","2393.4","0.4","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 F9 I2 N -","- C25 H10 F9 I2 N -","- C100 H40 F36 I8 N4 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0598","0.0364","","","0.0734","0.0805","","","","","","1.06","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569563","7.982","0.0004","7.9889","0.0004","17.3963","0.0009","84.337","0.002","89.492","0.002","70.559","0.002","1040.62","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C50 H24 F18 N2 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.06","0.039","","","0.0892","0.0991","","","","","","1.017","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569564","18.182","0.004","4.5894","0.001","29.337","0.006","90","","106.945","0.004","90","","2341.7","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H13 F6 I2 N -","- C25 H13 F6 I2 N -","- C100 H52 F24 I8 N4 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0587","0.0413","","","0.0775","0.0817","","","","","","1.179","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569565","8.4061","0.0003","20.5959","0.0007","12.3043","0.0004","90","","108.644","0.001","90","","2018.47","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H12 F3 I2 N -","- C23 H12 F3 I2 N -","- C92 H48 F12 I8 N4 -","4","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0312","0.0254","","","0.0559","0.0579","","","","","","1.086","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569566","7.3702","0.0007","18.1535","0.0018","34.027","0.003","90","","94.009","0.002","90","","4541.5","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F7 I2 N -","- C24 H10 F7 I2 N -","- C192 H80 F56 I16 N8 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0556","0.0404","","","0.0634","0.0667","","","","","","1.183","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569567","18.7496","0.0016","4.7821","0.0004","25.949","0.002","90","","94.215","0.002","90","","2320.4","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 F9 I2 -","- C25 H9 F9 I2 -","- C100 H36 F36 I8 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0806","0.0441","","","0.069","0.0776","","","","","","1.022","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569568","36.9115","0.0018","36.9115","0.0018","8.3724","0.0004","90","","90","","90","","11407.1","1","100","","100","","","","","","","","","6","I -4","I -4","82","","","","- C50 H67.69 Cl1.25 F3 I2 N2.25 -","- C50 H67.695 Cl1.25 F3 I2 N2.25 -","- C400 H541.56 Cl10 F24 I16 N18 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0408","0.0334","","","0.0697","0.0736","","","","","","1.052","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569569","37.842","0.003","50.545","0.004","8.9837","0.0006","90","","90","","90","","17183","2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C800 H384 F288 N32 -","32","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.066","0.0564","","","0.1408","0.1475","","","","","","1.054","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569570","8.2189","0.0005","22.0601","0.0014","26.8587","0.0018","90","","93.235","0.002","90","","4862","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Cl F6 I2 N2 -","- C48 H63 Cl F6 I2 N2 -","- C192 H252 Cl4 F24 I8 N8 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0405","0.0293","","","0.0665","0.0707","","","","","","1.08","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569571","12.2702","0.0005","13.0397","0.0005","14.4541","0.0006","107.965","0.002","108.36","0.001","93.925","0.002","2052.49","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H52 Cl F3 I2 N2 -","- C41 H52 Cl F3 I2 N2 -","- C82 H104 Cl2 F6 I4 N4 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0287","0.0232","","","0.0532","0.059","","","","","","1.152","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569572","8.0763","0.0005","15.6429","0.0011","17.8668","0.0012","73.593","0.002","87.048","0.002","88.27","0.002","2162.2","0.3","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cl F9 I2 N2 -","- C41 H46 Cl F9 I2 N2 -","- C82 H92 Cl2 F18 I4 N4 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0654","0.0507","","","0.1202","0.1324","","","","","","1.146","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569573","9.9761","0.0018","20.274","0.004","21.922","0.004","89.741","0.003","88.847","0.003","83.127","0.003","4401.1","1.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C85 H110 B F20 N6 O Si2 Y -","- C73 H82 B F20 N6 O Si2 Y -","- C146 H164 B2 F40 N12 O2 Si4 Y2 -","2","1","","Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.","Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.","Chemical science","2023","14","32","8514","8523","10.1039/d3sc01830j","","","0.71073","MoKα","","0.1826","0.0682","","","0.1118","0.1358","","","","","","0.843","","","","has coordinates,has disorder","286041","2023-09-05","19:09:36",""
"1569574","9.8595","0.0012","20.303","0.003","21.959","0.003","89.917","0.002","89.202","0.002","83.113","0.002","4363.6","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C85 H92 B F22 N6 O Sc Si2 -","- C73 H82 B F20 N6 O Sc Si2 -","- C146 H164 B2 F40 N12 O2 Sc2 Si4 -","2","1","","Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.","Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.","Chemical science","2023","14","32","8514","8523","10.1039/d3sc01830j","","","0.71073","MoKα","","0.1129","0.081","","","0.1777","0.1922","","","","","","1.074","","","","has coordinates,has disorder","286041","2023-09-05","19:09:37",""
"1569575","16.4813","0.0003","19.1877","0.0003","28.5841","0.0005","90","","95.453","0.002","90","","8998.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C101 H78 P6 Rh2 -","- C101 H78 P6 Rh2 -","- C404 H312 P24 Rh8 -","4","1","","Masada, Koichiro; Okabe, Kiyosumi; Kusumoto, Shuhei; Nozaki, Kyoko","A dinuclear Rh(-i)/Rh(i) complex bridged by biphilic phosphinine ligands.","Chemical science","2023","14","32","8524","8530","10.1039/d3sc02292g","","x-ray","0.71073","MoKα","","0.0563","0.0494","","","0.1338","0.1401","","","","","","1.114","","","","has coordinates","286043","2023-09-05","19:10:01",""
"1569576","13.1385","0.0002","16.5943","0.0002","20.896","0.0003","93.698","0.001","91.535","0.001","98.479","0.001","4493.61","0.11","93","2","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H90 Na2 O2 P6 Rh2 -","- C102 H90 Na2 O2 P6 Rh2 -","- C204 H180 Na4 O4 P12 Rh4 -","2","1","","Masada, Koichiro; Okabe, Kiyosumi; Kusumoto, Shuhei; Nozaki, Kyoko","A dinuclear Rh(-i)/Rh(i) complex bridged by biphilic phosphinine ligands.","Chemical science","2023","14","32","8524","8530","10.1039/d3sc02292g","","","0.71073","MoKα","","0.0916","0.0739","","","0.1955","0.2075","","","","","","1.03","","","","has coordinates","286043","2023-09-05","19:10:03",""
"1569577","13.0765","0.0012","3.7722","0.0004","25.105","0.002","90","","102.809","0.005","90","","1207.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O S -","- C6 H4 N2 O S -","- C48 H32 N16 O8 S8 -","8","2","","Ortiz-Rodríguez, Luis A; Fang, Ye-Guang; Niogret, Germain; Hadidi, Kaivin; Hoehn, Sean J.; Folkwein, Heather J.; Jockusch, Steffen; Tor, Yitzhak; Cui, Ganglong; Levi, Liraz; Crespo-Hernández, Carlos E","Thieno[3,4-<i>d</i>]pyrimidin-4(3<i>H</i>)-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells.","Chemical science","2023","14","33","8831","8841","10.1039/d3sc02592f","","","0.71073","MoKα","","0.0734","0.0462","","","0.087","0.0948","","","","","","1.049","","","","has coordinates","286046","2023-09-05","19:10:32",""
"1569578","10.523","0.005","9.208","0.004","7.108","0.003","90","","100.375","0.015","90","","677.5","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","","Ortiz-Rodríguez, Luis A; Fang, Ye-Guang; Niogret, Germain; Hadidi, Kaivin; Hoehn, Sean J.; Folkwein, Heather J.; Jockusch, Steffen; Tor, Yitzhak; Cui, Ganglong; Levi, Liraz; Crespo-Hernández, Carlos E","Thieno[3,4-<i>d</i>]pyrimidin-4(3<i>H</i>)-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells.","Chemical science","2023","14","33","8831","8841","10.1039/d3sc02592f","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0258","","","0.0681","0.0704","","","","","","1.065","","","","has coordinates","286046","2023-09-05","19:10:32",""
"1569579","9.8807","0.0002","19.9006","0.0004","20.5724","0.0004","91.843","0.001","101.967","0.001","101.976","0.001","3859.18","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H78 Au Cl3 N2 -","- C102 H78 Au Cl3 N2 -","- C204 H156 Au2 Cl6 N4 -","2","1","","Rahman, Md. Mahbubur; Gao, Pengcheng; Zhao, Qun; Lalancette, Roger; Szostak, Roman; Szostak, Michal","[Au(Np#)Cl]: highly reactive and broadly applicable Au(i)–NHC catalysts for alkyne π-activation reactions","Catalysis Science & Technology","2023","13","17","5131","5139","10.1039/D3CY00717K","","","1.54178","CuKα","","0.0224","0.0218","","","0.0527","0.0533","","","","","","1.06","","","","has coordinates","286021","2023-09-05","18:45:34",""
"1569580","12.3101","0.0002","5.4517","0.0001","14.3867","0.0002","90","","106.621","0.002","90","","925.16","0.03","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 F N2 O2 -","- C23 H19 F N2 O2 -","- C46 H38 F2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0738","0.0731","","","0.182","0.1834","","","","","","1.034","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569581","12.5962","0.0006","5.2216","0.0002","15.4025","0.0006","90","","109.764","0.005","90","","953.38","0.08","120","0.2","120","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O2 -","- C23 H19 Br N2 O2 -","- C46 H38 Br2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0759","0.0651","","","0.1664","0.176","","","","","","1.013","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569582","12.0926","0.0002","5.4361","0.0002","13.6728","0.0003","90","","95.641","0.002","90","","894.45","0.04","120","0.2","120","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0574","0.055","","","0.1485","0.1526","","","","","","1.063","","","","has coordinates","285356","2023-07-26","22:18:43",""
"1569583","24.1353","0.0004","24.3999","0.0004","26.5043","0.0004","90","","90.951","0.001","90","","15606.2","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H93 Ag13 Au4 Cl18 P6 S9 -","- C129 H93 Ag13 Au4 Cl18 P6 S9 -","- C516 H372 Ag52 Au16 Cl72 P24 S36 -","4","1","","Xin, Junsheng; Xu, Jing; Zhu, Chen; Tian, Yupeng; Zhang, Qiong; Kang, Xi; Zhu, Manzhou","Restriction of intramolecular rotation for functionalizing metal nanoclusters.","Chemical science","2023","14","32","8474","8482","10.1039/d3sc01698f","","x-ray","1.54186","CuKα","","0.0632","0.0443","","","0.1028","0.1078","","","","","","0.924","","","","has coordinates","286038","2023-09-05","19:08:09",""
"1569584","8.2561","0.0002","40.9906","0.0009","12.059","0.0003","90","","109.088","0.003","90","","3856.65","0.17","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 Cl Ir O6 P2 -","- C38 H51 Cl Ir O6 P2 -","- C152 H204 Cl4 Ir4 O24 P8 -","4","1","","Chakrabarti, Kaushik; Spangenberg, Alice; Subramaniyan, Vasudevan; Hederstedt, Andreas; Abdelaziz, Omar Y.; Polukeev, Alexey V.; Wallenberg, Reine; Hulteberg, Christian P.; Wendt, Ola F.","Acceptorless dehydrogenation of 4-methylpiperidine by supported pincer-ligated iridium catalysts in continuous flow","Catalysis Science & Technology","2023","13","17","5113","5119","10.1039/D3CY00881A","","x-ray","0.71073","MoKα","","0.0782","0.0622","","","0.0988","0.103","","","","","","1.296","","","","has coordinates,has disorder","286022","2023-09-05","18:45:43",""
"1569585","9.72613","0.0001","19.54803","0.00019","20.00438","0.00018","75.8276","0.0008","76.6215","0.0009","89.241","0.0008","3583.73","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C180.23 H165.95 Cl4.45 -","- C180.229 H165.958 Cl4.458 -","- C180.229 H165.958 Cl4.458 -","1","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes <i>via</i> one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.0548","0.0459","","","0.1216","0.1317","","","","","","1.034","","","","has coordinates,has disorder","286040","2023-09-05","19:09:21",""
"1569586","23.6811","0.0006","28.4303","0.0009","21.9446","0.0004","90","","101.217","0.002","90","","14492.2","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C183 H134 S10 -","- C179.301 H134 S2.602 -","- C717.204 H536 S10.408 -","4","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes <i>via</i> one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.1636","0.0902","","","0.2334","0.2928","","","","","","1.023","","","","has coordinates,has disorder","286040","2023-09-05","19:09:22",""
"1569587","9.224","0.004","12.38","0.005","19.363","0.007","85.759","0.015","77.184","0.015","89.43","0.015","2150.1","1.5","120.03","","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Cl3 Co2 N12 O28.5 -","- C88 H59 Cl3 Co2 N12 O28.5 -","- C88 H59 Cl3 Co2 N12 O28.5 -","1","0.5","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan","pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.","Chemical science","2023","14","33","8850","8859","10.1039/d3sc02777e","","","0.71073","MoKα","","0.079","0.0704","","","0.2028","0.212","","","","","","1.056","","","","has coordinates,has disorder","286045","2023-09-05","19:10:25",""
"1569588","8.7247","0.0005","13.4869","0.0007","16.4323","0.0008","93.298","0.002","97.277","0.002","91.254","0.002","1913.99","0.18","120.06","","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Co N6 O9 -","- C44 H28 Co N6 O9 -","- C88 H56 Co2 N12 O18 -","2","1","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan","pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.","Chemical science","2023","14","33","8850","8859","10.1039/d3sc02777e","","","0.71073","MoKα","","0.2509","0.0987","","","0.1599","0.2183","","","","","","1.013","","","","has coordinates,has disorder","286045","2023-09-05","19:10:25",""
"1569589","6.3426","0.0001","12.1336","0.0002","20.3228","0.0002","90","","90","","90","","1564.01","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N3 O -","- C19 H20 N3 O -","- C76 H80 N12 O4 -","4","1","","Xie, Chaochao; Xiao, Guiying; Guo, Qianling; Wu, Xiaoxue; Zi, Guofu; Ding, Wanjian; Hou, Guohua","Highly enantioselective Rh-catalyzed asymmetric reductive dearomatization of multi-nitrogen polycyclic pyrazolo[1,5-<i>a</i>]pyrimidines.","Chemical science","2023","14","34","9048","9054","10.1039/d3sc02086j","","x-ray","1.54184","CuKα","","0.0351","0.0343","","","0.0889","0.0894","","","","","","1.076","","","","has coordinates","286075","2023-09-05","19:23:15",""
"1569590","10.3939","0.0001","17.668","0.0002","17.6653","0.0002","90","","90","","90","","3244.05","0.06","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(5-Cyanononan-5-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","BV4049","Song, Xueqing; Li, William","N-(5-Cyanononan-5-yl)benzamide","IUCrData","2023","8","7","","","10.1107/S2414314623006399","","","1.54184","CuKα","","0.0479","0.0427","","","0.1088","0.1121","","","","","","1.079","","","","has coordinates","285387","2023-07-29","02:14:14",""
"1569591","27.036","0.006","6.3093","0.0013","20.653","0.005","90","","105.536","0.006","90","","3394.2","1.3","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ-aqua)[μ~4~-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","","- C34 H38 Co2 N4 O11 -","- C34 H38 Co2 N4 O11 -","- C136 H152 Co8 N16 O44 -","4","0.5","BT4140","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[(μ-aqua)[μ4-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","IUCrData","2023","8","7","","","10.1107/S241431462300648X","","","0.71073","MoKα","","0.0581","0.0414","","","0.1007","0.1133","","","","","","1.061","","","","has coordinates","285388","2023-07-29","02:14:48",""
"1569592","27.558","0.01","14.873","0.005","9.146","0.003","90","","98.396","0.004","90","","3708","2","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~4~-3-(2-carboxylatophenyl)propionato]{<i>N</i>-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","","- C34 H40 Cu2 N4 O15 -","- C34 H40 Cu2 N4 O15 -","- C136 H160 Cu8 N16 O60 -","4","0.5","ZL4055","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[bis[μ4-3-(2-carboxylatophenyl)propionato]{N-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","IUCrData","2023","8","7","","","10.1107/S2414314623006223","","","0.71073","MoKα","","0.1349","0.0792","","","0.1946","0.2297","","","","","","1.016","","","","has coordinates,has disorder","285389","2023-07-29","02:15:17",""
"1569593","17.67","0.0018","17.67","0.0018","29.511","0.006","90","","90","","120","","7980","2","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H72 Ge4 Si10 -","- C24 H72 Ge4 Si10 -","- C144 H432 Ge24 Si60 -","6","0.333333","","Kühn, Steffen; Köstler, Benedikt; True, Celine; Albers, Lena; Wagner, Matthias; Müller, Thomas; Marschner, Christoph","Selective synthesis of germasila-adamantanes through germanium-silicon shift processes.","Chemical science","2023","14","33","8956","8961","10.1039/d3sc03301e","","","0.71073","MoKα","","0.0544","0.0533","","","0.1098","0.1105","","","","","","0.9974","","","","has coordinates","286049","2023-09-05","19:12:10",""
"1569594","10.9864","0.0004","12.8237","0.0004","15.4669","0.0005","90","0.003","90.946","0.003","90","0.003","2178.78","0.13","298","90","298","90","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br2 Cu N2 S -","- C21 H20 Br2 Cu N2 S -","- C84 H80 Br8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","x-ray","0.71073","MoKα","","0.0533","0.0305","","","0.0593","0.07","","","","","","1.046","","","","has coordinates","286694","2023-10-05","23:25:33",""
"1569595","11.7434","0.001","13.1713","0.0007","12.2852","0.0009","90","","112.638","0.009","90","","1753.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 Cu N3 O -","- C16 H15 Br2 Cu N3 O -","- C64 H60 Br8 Cu4 N12 O4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","x-ray","0.71073","MoKα","","0.048","0.0331","","","0.1036","0.1135","","","","","","0.845","","","","has coordinates","286694","2023-10-05","23:25:34",""
"1569596","16.8022","0.0001","9.4781","0.0001","13.723","0.0001","90","","94.977","0.001","90","","2177.19","0.03","100","0.1","100","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br2 Cu N2 S -","- C21 H22 Br2 Cu N2 S -","- C84 H88 Br8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","","1.54184","CuKα","","0.0252","0.025","","","0.0638","0.064","","","","","","1.123","","","","has coordinates","286694","2023-10-05","23:25:34",""
"1569597","10.3474","0.0008","14.353","0.001","8.148","0.0006","90","","99.271","0.004","90","","1194.3","0.15","260","","260","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 S2 -","- C11 H9 N O3 S2 -","- C44 H36 N4 O12 S8 -","4","1","","Wang, Shuo; Yang, Liuqing; Liang, Fangcan; Zhong, Yu; Liu, Xueru; Wang, Qingling; Zhu, Dianhu","Synthetic exploration of electrophilic xanthylation via powerful N-xanthylphthalimides","Chemical Science","2023","14","34","9197","9206","10.1039/D3SC03194B","","","1.34139","GaKα","","0.0685","0.0515","","","0.1218","0.1335","","","","","","1.139","","","","has coordinates","286071","2023-09-05","19:21:54",""
"1569598","10.7498","0.0007","9.0463","0.0008","16.0214","0.0013","90","","90","","90","","1558","0.2","298.45","0.1","298.45","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H16 Cd N4 S3 -","- C9 H16 Cd N4 S3 -","- C36 H64 Cd4 N16 S12 -","4","0.5","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1031","0.0854","","","0.2717","0.2832","","","","","","1.072","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1569599","9.8887","0.0005","16.6064","0.0006","10.7989","0.0004","90","","90","","90","","1773.35","0.13","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C22 Cd2 N8 S6 -","- C22 Cd2 N8 S6 -","- C44 Cd4 N16 S12 -","2","0.25","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.0332","0.0314","","","0.0866","0.0882","","","","","","1.094","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569600","9.448","0.002","9.448","0.002","10.894","0.002","90","0.03","90","0.03","120","0.03","842.2","0.4","343","2","343","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9 Cd N4 S3 -","- C8.9994 Cd N4 S3 -","- C17.9988 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1599","0.107","","","0.2122","0.2325","","","","","","1.023","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569601","9.989","0.002","9.989","0.002","10.798","0.002","90","","90","","120","","933.1","0.3","393.01","0.1","393.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C11 Cd N4 S3 -","- C11.0002 Cd N4 S3 -","- C22.0004 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1787","0.1401","","","0.2672","0.283","","","","","","1.193","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1569602","8.984","0.002","10.779","0.002","17.325","0.005","90","","101.771","0.007","90","","1642.4","0.7","286","","286","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 S3 -","- C10 H18 Cd N4 S3 -","- C40 H72 Cd4 N16 S12 -","4","1","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1045","0.0716","","","0.2233","0.2562","","","","","","1.028","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569603","9.3109","0.0007","10.7164","0.0006","14.9364","0.0011","90","","90.634","0.007","90","","1490.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cd N4 S3 -","- C8 H14 Cd N4 S3 -","- C32 H56 Cd4 N16 S12 -","4","1","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.133","0.0784","","","0.2333","0.2818","","","","","","1.065","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569604","9.703","0.002","9.703","0.002","10.837","0.002","90","0.03","90","0.03","120","0.03","883.6","0.4","353","","353","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C10 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1978","0.1329","","","0.2879","0.3075","","","","","","1.086","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569605","10.4075","0.0013","6.8598","0.0008","12.7321","0.0015","90","","101.95","0.006","90","","889.29","0.19","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C40 H40 Cl4 N4 O4 -","4","1","","Peng, Marie; Ari, Denis; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Rhodium(i)-catalyzed cascade C(sp<sup>2</sup>)-H bond alkylation - amidation of anilines: phosphorus as traceless directing group.","Chemical science","2023","14","34","9055","9062","10.1039/d3sc02992a","","x-ray","0.71073","MoKα","","0.0582","0.0374","","","0.0838","0.093","","","","","","1.121","","","","has coordinates","286076","2023-09-05","19:23:21",""
"1569606","12.8402","0.0002","19.2826","0.0003","25.7915","0.0003","90","","101.171","0.001","90","","6264.79","0.16","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C67 H56 Cu F6 N2 O3 P3 -","- C67 H56 Cu F6 N2 O3 P3 -","- C268 H224 Cu4 F24 N8 O12 P12 -","4","1","","Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael","Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes","Catalysis Science & Technology","2023","13","14","4092","4106","10.1039/D3CY00132F","","x-ray","1.54184","CuKα","","0.0425","0.0374","","","0.0944","0.0972","","","","","","1.039","","","","has coordinates,has disorder","285436","2023-08-03","21:01:52",""
"1569607","9.7521","0.0001","15.5514","0.0002","16.6886","0.0003","94.049","0.001","99.373","0.001","100.684","0.001","2440.59","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H49 Cl4 Cu F6 N2 O P3 -","- C48 H49 Cl4 Cu F6 N2 O P3 -","- C96 H98 Cl8 Cu2 F12 N4 O2 P6 -","2","1","","Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael","Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes","Catalysis Science & Technology","2023","13","14","4092","4106","10.1039/D3CY00132F","","x-ray","1.54184","CuKα","","0.0479","0.0463","","","0.1255","0.1268","","","","","","1.037","","","","has coordinates,has disorder","285436","2023-08-03","21:01:53",""
"1569608","13.575","0.005","18.655","0.007","19.146","0.008","117.778","0.005","93.671","0.006","98.197","0.006","4199","3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H118 Al2 N6 Y2 -","- C86 H118 Al2 N6 Y2 -","- C172 H236 Al4 N12 Y4 -","2","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1301","0.0537","","","0.1115","0.1341","","","","","","0.859","","","","has coordinates","286069","2023-09-05","19:21:39",""
"1569609","35.057","0.006","11.675","0.002","20.542","0.004","90","","99.661","0.002","90","","8288","3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H57 Al N3 O Y -","- C42 H57 Al N3 O Y -","- C336 H456 Al8 N24 O8 Y8 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1002","0.0561","","","0.1468","0.1702","","","","","","0.988","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569610","44.077","0.004","13.4246","0.0013","29.287","0.003","90","","93.806","0.002","90","","17291","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H118 Al2 N6 O Y2 -","- C87 H118 Al2 N6 O Y2 -","- C696 H944 Al16 N48 O8 Y16 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.124","0.0645","","","0.1657","0.1903","","","","","","0.93","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569611","18.21","0.003","22.124","0.003","26.122","0.004","90","","106.485","0.002","90","","10091","3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H120 Al2 N6 S Y2 -","- C91 H120 Al2 N6 S Y2 -","- C364 H480 Al8 N24 S4 Y8 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1124","0.0634","","","0.1601","0.1792","","","","","","0.918","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569612","11.0717","0.0003","12.1069","0.0003","36.4308","0.0009","90","","90","","90","","4883.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 Al2 N3 Y -","- C47 H72 Al2 N3 Y -","- C188 H288 Al8 N12 Y4 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0529","0.0465","","","0.1273","0.1318","","","","","","1.055","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569613","69.627","0.011","13.874","0.002","21.791","0.003","90","","98.943","0.003","90","","20794","5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H119 Al2 N7 S Y2 -","- C92 H119 Al2 N7 S Y2 -","- C736 H952 Al16 N56 S8 Y16 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1247","0.0855","","","0.2399","0.2649","","","","","","1.011","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569614","10.482","0.0006","36.766","0.002","11.9467","0.0007","90","","112.166","0.002","90","","4263.8","0.4","173","2","172.97","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C88 H123 Al3 N6 O0 S Y2 -","- C88 H123 Al3 N6 S Y2 -","- C176 H246 Al6 N12 S2 Y4 -","2","0.5","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34139","GaKα","","0.0621","0.0528","","","0.1444","0.1515","","","","","","1.066","","","","has coordinates,has disorder","286069","2023-09-05","19:21:40",""
"1569615","12.1633","0.0005","18.7824","0.0006","22.3511","0.0008","105.924","0.002","103.097","0.002","102.186","0.002","4574.5","0.3","173","2","173.01","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H124 Al N8 Y2 -","- C104 H124 Al N8 Y2 -","- C208 H248 Al2 N16 Y4 -","2","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0987","0.0565","","","0.1303","0.1529","","","","","","0.996","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569616","14.4625","0.0001","15.6058","0.0001","17.0684","0.0001","90","","112.524","0.001","90","","3558.46","0.05","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N O2 -","- C19 H26 N O2 -","- C152 H208 N8 O16 -","8","1","","Lu, Yi; Sugita, Hajime; Mikami, Koichiro; Aoki, Daisuke; Otsuka, Hideyuki","A rational design strategy of radical-type mechanophores with thermal tolerance.","Chemical science","2023","14","33","8792","8797","10.1039/d3sc02991c","","x-ray","1.54184","CuKα","","0.0386","0.0374","","","0.0948","0.0958","","","","","","1.035","","","","has coordinates","286047","2023-09-05","19:10:43",""
"1569617","26.2487","0.0004","26.2487","0.0004","26.2487","0.0004","90","","90","","90","","18085.2","0.5","106","9","106","9","","","","","","","","8","F 2 3","F 2 2 3","196","","","","- C92 H108 Cu12 Mo10 N5 O116 P V2 -","- C91.9984 H107.994 Cu12 Mo9.9996 N4.9996 O116.001 P V2.0004 -","- C367.994 H431.976 Cu48 Mo39.9984 N19.9984 O464.003 P4 V8.0016 -","4","0.0833333","","Lu, Xinlin; Cheng, Ting; Geletii, Yurii V.; Bacsa, John; Hill, Craig L.","Reactivity and stability synergism directed by the electron transfer between polyoxometalates and metal–organic frameworks","Catalysis Science & Technology","2023","13","17","5094","5103","10.1039/D3CY00569K","","x-ray","1.54184","CuKα","","0.0619","0.0552","","","0.1605","0.1682","","","","","","1.074","","","","has coordinates,has disorder","286020","2023-09-05","18:45:22",""
"1569618","6.4465","0.001","10.691","0.002","12.369","0.002","100.887","0.017","93.957","0.016","98.408","0.015","824","0.2","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","L2","L2","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.2001","0.0778","","","0.179","0.2537","","","","","","0.987","","","","has coordinates","286198","2023-09-05","20:27:56",""
"1569619","11.9011","0.0009","6.2428","0.0004","22.2023","0.0016","90","","102.18","0.008","90","","1612.4","0.2","293","2","293","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","L4","L4","","- C21 H15 N2 O -","- C21 H15 N2 O -","- C84 H60 N8 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.0757","0.0591","","","0.1611","0.1758","","","","","","1.063","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569620","15.072","0.002","5.7457","0.0013","22.182","0.004","90","","106.626","0.018","90","","1840.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","L3","L3","","- C23 H18 N2 O2 -","- C23 H19 N3 O -","- C92 H76 N12 O4 -","4","1","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","","0.71073","MoKα","","0.1748","0.0713","","","0.1598","0.2232","","","","","","0.967","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569621","14.8045","0.0012","6.147","0.0005","22.9263","0.0019","90","","107.231","0.002","90","","1992.7","0.3","297","2","297","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","L5","L5","","- C108 H72 N8 O4 -","- C108 H72 N8 O4 -","- C108 H72 N8 O4 -","1","0.25","","De, Sagnik; Das, Gopal","Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.","Soft matter","2023","19","32","6116","6121","10.1039/d3sm00638g","","x-ray","0.71073","MoKα","","0.1241","0.0711","","","0.1617","0.2118","","","","","","1.256","","","","has coordinates","286198","2023-09-05","20:27:58",""
"1569622","6.8738","0.0005","14.2252","0.0009","16.4821","0.0011","65.736","0.002","85.602","0.003","81.263","0.002","1452.04","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H23 N5 -","- C40 H23 N5 -","- C80 H46 N10 -","2","1","","Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong","A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.","Materials horizons","2023","10","8","2997","3004","10.1039/d3mh00445g","","","0.71073","MoKα","","0.0564","0.0423","","","0.103","0.118","","","","","","1.031","","","","has coordinates","285459","2023-08-05","08:07:29",""
"1569623","74.59","0.005","74.59","0.005","74.59","0.005","90","","90","","90","","414994","5","100","2","100","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C70 H126 Cl4 In10 N20 S16 -","- Cl4 In10 S16 -","- Cl544 In1360 S2176 -","136","0.708333","","Yin, Haiyan; Liu, Yifan; Ablez, Abdusalam; Wang, Yanqi; Hu, Qianqian; Huang, Xiaoying","Dispersible Supertetrahedral Chalcogenide T3 Clusters: Photocatalytic Activity and Photogenerated Carrier Dynamics","Catalysts","2023","13","8","1160","","10.3390/catal13081160","","","0.71073","MoKα","","0.1199","0.0583","","","0.1671","0.2015","","","","","","1.012","","","","has coordinates","285540","2023-08-05","15:16:39",""
"1569624","7.5287","0.0003","16.5771","0.0004","7.9737","0.0003","90","","113.925","0.004","90","","909.64","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Cl2 Cu N5 -","- C4 H11 Cl2 Cu N5 -","- C16 H44 Cl8 Cu4 N20 -","4","1","","Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.","Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes","Crystals","2023","13","8","1176","","10.3390/cryst13081176","","x-ray","0.71073","MoKα","","0.0261","0.0237","","","0.0631","0.0644","","","","","","1.078","","","","has coordinates,has disorder","285541","2023-08-05","16:32:16",""
"1569625","10.3808","0.0002","26.2761","0.0005","11.3407","0.0003","90","","101.374","0.002","90","","3032.62","0.12","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl5.01 Co2 N15 O3 -","- C12 H39 Cl5.0079 Co2 N15 O3 -","- C48 H156 Cl20.0316 Co8 N60 O12 -","4","1","","Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.","Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes","Crystals","2023","13","8","1176","","10.3390/cryst13081176","","x-ray","0.71073","MoKα","","0.0467","0.0352","","","0.0688","0.0723","","","","","","1.084","","","","has coordinates,has disorder","285542","2023-08-05","16:32:56",""
"1569626","8.7792","0.0015","20.142","0.003","13.72","0.002","90","","91.957","0.002","90","","2424.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Co O8 Pb -","- C20 H28 Co O8 Pb -","- C80 H112 Co4 O32 Pb4 -","4","1","","Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.","Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]","Crystals","2023","13","7","1089","","10.3390/cryst13071089","","","0.71073","MoKα","","0.0975","0.0545","","","0.1296","0.1496","","","","","","1.029","","","","has coordinates","285543","2023-08-05","16:33:31",""
"1569627","23.8452","0.0006","10.7063","0.0003","16.3561","0.0004","90","","97.096","0.001","90","","4143.63","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H98 Co5 O28 Pb2 -","- C70 H98 Co5 O28 Pb2 -","- C140 H196 Co10 O56 Pb4 -","2","0.5","","Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.","Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]","Crystals","2023","13","7","1089","","10.3390/cryst13071089","","x-ray","0.49594","synchrotron","","0.0225","0.0198","","","0.0533","0.0542","","","","","","1.064","","","","has coordinates","285544","2023-08-05","16:34:01",""
"1569628","12.648","0.003","13.634","0.003","8.574","0.002","90","","97.801","0.008","90","","1464.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N O3 -","- C6 H6 Cl N O3 -","- C48 H48 Cl8 N8 O24 -","8","2","","Johnson, Aidan V.; Piedade, M. Fátima M.; Esteves, Catarina V.","pH-Dependent Crystallization of 2-, 4-, 5-, and 6-Hydroxynicotinic Acids in Aqueous Media","Crystals","2023","13","7","1062","","10.3390/cryst13071062","","","0.71073","MoKα","","0.1619","0.1045","","","0.1444","0.1561","","","","","","1.202","","","","has coordinates","285545","2023-08-05","16:34:26",""
"1569629","9.5443","0.0001","9.5443","0.0001","7.5603","0.0001","90","","90","","120","","596.428","0.012","59.9","0.2","59.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0145","0.0145","","","0.0327","0.0327","","","","1.01","1.01","1.01","","","","has coordinates","285546","2023-08-05","16:34:57",""
"1569630","9.543","0.0001","9.543","0.0001","7.5634","0.0001","90","","90","","120","","596.51","0.012","25.01","0.13","25.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0162","0.0162","","","0.0379","0.0379","","","","1.01","1.01","1.01","","","","has coordinates","285547","2023-08-05","16:35:22",""
"1569631","9.5435","0.0001","9.5435","0.0001","7.5628","0.0001","90","","90","","120","","596.525","0.012","292.99","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 -","- Al0.2499 B4 Bi0.05 Fe2.7501 O12 Sm0.95 -","- Al0.7497 B12 Bi0.15 Fe8.2503 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0161","0.0161","","","","1","1","1","","","","has coordinates","285548","2023-08-05","16:35:56",""
"1569632","9.5534","0.0001","9.5534","0.0001","7.5767","0.0001","90","","90","","120","","598.862","0.012","292.98","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 -","- Al0.1701 B4 Bi0.05 Fe2.8299 O12 Sm0.95 -","- Al0.5103 B12 Bi0.15 Fe8.4897 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0167","0.0167","","","","1.02","1.02","1.02","","","","has coordinates","285549","2023-08-05","16:36:30",""
"1569633","9.5329","0.0001","9.5329","0.0001","7.5553","0.0001","90","","90","","120","","594.61","0.012","293.01","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0156","0.0156","","","","1.03","1.03","1.03","","","","has coordinates","285550","2023-08-05","16:37:03",""
"1569634","9.565","0.0001","9.565","0.0001","7.5869","0.0001","90","","90","","120","","601.125","0.012","293","0.1","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B12 Bi0.15 Fe9 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0111","0.0111","","","0.0149","0.0149","","","","1.01","1.01","1.01","","","","has coordinates","285551","2023-08-05","16:37:31",""
"1569635","9.5443","0.0001","9.5443","0.0001","7.5598","0.0001","90","","90","","120","","596.388","0.012","150.01","0.1","150.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0172","0.017","","","0.0362","0.0363","","","","1.02","1.02","1.02","","","","has coordinates","285552","2023-08-05","16:38:04",""
"1569636","9.5595","0.0001","9.5595","0.0001","7.5816","0.0001","90","","90","","120","","600.015","0.012","292.98","0.14","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 -","- Al0.0699 B4 Bi0.07 Fe2.9301 O12 Sm0.93 -","- Al0.2097 B12 Bi0.21 Fe8.7903 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0115","0.0115","","","0.0151","0.0151","","","","1.01","1.01","1.01","","","","has coordinates","285553","2023-08-05","16:38:37",""
"1569637","9.5444","0.0001","9.5444","0.0001","7.5601","0.0001","90","","90","","120","","596.424","0.012","79.9","0.2","79.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0155","0.0154","","","0.0339","0.034","","","","1.02","1.02","1.02","","","","has coordinates","285554","2023-08-05","16:39:11",""
"1569638","9.5439","0.0001","9.5439","0.0001","7.5624","0.0001","90","","90","","120","","596.543","0.012","29.98","0.17","29.98","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0348","","","","1.02","1.02","1.02","","","","has coordinates","285555","2023-08-05","16:39:35",""
"1569639","9.5443","0.0001","9.5443","0.0001","7.5632","0.0001","90","","90","","120","","596.657","0.012","220","0.1","220","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0196","0.0193","","","0.0402","0.0403","","","","1.01","1.01","1.01","","","","has coordinates","285556","2023-08-05","16:40:02",""
"1569640","9.5452","0.0001","9.5452","0.0001","7.568","0.0001","90","","90","","120","","597.148","0.012","293","0.1","293","0.1","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0234","0.0224","","","0.0456","0.0462","","","","1","1","1","","","","has coordinates","285557","2023-08-05","16:40:33",""
"1569641","9.5438","0.0001","9.5438","0.0001","7.5616","0.0001","90","","90","","120","","596.468","0.012","39.9","0.3","39.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0329","0.0329","","","","1.02","1.02","1.02","","","","has coordinates","285558","2023-08-05","16:40:59",""
"1569642","9.5441","0.0001","9.5441","0.0001","7.5621","0.0001","90","","90","","120","","596.545","0.012","35","0.2","35","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0149","0.0148","","","0.0343","0.0344","","","","1","1","1","","","","has coordinates","285559","2023-08-05","16:41:23",""
"1569643","9.544","0.0001","9.544","0.0001","7.561","0.0001","90","","90","","120","","596.445","0.012","50","0.3","50","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0349","","","","1.02","1.02","1.02","","","","has coordinates","285560","2023-08-05","16:41:59",""
"1569644","9.545","0.0001","9.545","0.0001","7.5598","0.0001","90","","90","","120","","596.476","0.012","109.9","0.3","109.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0164","0.0163","","","0.0379","0.0379","","","","1","1","1","","","","has coordinates","285561","2023-08-05","16:42:24",""
"1569645","9.5446","0.0001","9.5446","0.0001","7.5602","0.0001","90","","90","","120","","596.457","0.012","70","0.2","70","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.015","0.0149","","","0.0334","0.0335","","","","1.02","1.02","1.02","","","","has coordinates","285562","2023-08-05","16:42:49",""
"1569646","15.73","0.0002","18.2546","0.0004","17.1794","0.0003","90","","90","","90","","4932.98","0.15","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H21 Cl Cu Ge N4 O4 -","- C26 H21 Cl Cu Ge N4 O4 -","- C208 H168 Cl8 Cu8 Ge8 N32 O32 -","8","1","","Wagler, Jörg; Gericke, Robert","Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.","Molecules (Basel, Switzerland)","2023","28","14","5442","","10.3390/molecules28145442","","","0.71073","MoKα","","0.0509","0.0356","","","0.0761","0.0817","","","","","","1.085","","","","has coordinates","285567","2023-08-06","05:07:56",""
"1569647","14.4369","0.0002","8.7499","0.0001","16.2903","0.0003","90","","92.555","0.001","90","","2055.77","0.05","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl Cu Ge N3 O3 -","- C21 H17 Cl Cu Ge N3 O3 -","- C84 H68 Cl4 Cu4 Ge4 N12 O12 -","4","1","","Wagler, Jörg; Gericke, Robert","Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.","Molecules (Basel, Switzerland)","2023","28","14","5442","","10.3390/molecules28145442","","","0.71073","MoKα","","0.0309","0.0263","","","0.0651","0.0671","","","","","","1.097","","","","has coordinates","285568","2023-08-06","05:09:20",""
"1569648","25.93","0.06","13.52","0.03","30.86","0.07","90","","106.94","0.06","90","","10349","4","173","2","173.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H112 Bi4 N2 O10 -","- C90 H112 Bi4 N2 O10 -","- C360 H448 Bi16 N8 O40 -","4","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","0.71073","MoKα","K-L~3~","0.0749","0.0478","","","0.1112","0.1235","","","","","","1.014","","","","has coordinates","286048","2023-09-05","19:11:51",""
"1569649","16.57","0.004","17.36","0.004","19.896","0.005","67.924","0.011","78.114","0.012","83.852","0.011","5187","2","173","2","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H121 Bi4 N2 O13 -","- C93 H121 Bi4 N2 O13 -","- C186 H242 Bi8 N4 O26 -","2","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","1.54178","CuKα","K-L~3~","0.069","0.0581","","","0.1356","0.1447","","","","","","1.076","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569650","22.561","0.0004","22.561","0.0004","80.946","0.004","90","","90","","90","","41201","2","173","2","173.02","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C176 H208 Al Bi8 O22 -","- C176 H208 Al Bi8 O22 -","- C1408 H1664 Al8 Bi64 O176 -","8","0.5","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","0.71073","MoKα","K-L~3~","0.101","0.0544","","","0.1166","0.1343","","","","","","1.022","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569651","35.3979","0.0008","35.3979","0.0008","67.034","0.003","90","","90","","90","","83994","5","290","2","290.56","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C352 H416 Bi24 O59 -","- C352 H416 Bi24 O59 -","- C2816 H3328 Bi192 O472 -","8","0.25","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.0895","0.0566","","","0.1608","0.1886","","","","","","1.043","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569652","22.208","0.002","37.888","0.004","44.949","0.004","90","","100.421","0.004","90","","37197","6","290.56","","290.56","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C264 H312 Bi20 N O47 -","- C264 H312 Bi20 N O47 -","- C1056 H1248 Bi80 N4 O188 -","4","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.074","0.0638","","","0.1712","0.1794","","","","","","1.021","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569653","22.5724","0.0015","23.0297","0.0014","36.361","0.002","92.631","0.004","103.905","0.004","115.578","0.003","16306.2","1.8","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C538 H654 Bi40 Mo2 N6 O98 -","- C538 H654 Bi40 Mo2 N6 O98 -","- C538 H654 Bi40 Mo2 N6 O98 -","1","0.5","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.1633","0.0895","","","0.2026","0.2364","","","","","","1.025","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569654","8.2271","0.0005","10.3968","0.0007","21.4304","0.0011","90","","96.909","0.006","90","","1819.75","0.19","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 B Cl F2 N -","- C19 H21 B Cl F2 N -","- C76 H84 B4 Cl4 F8 N4 -","4","2","","Zou, Hui-Na; Huang, Meng-Lin; Huang, Ming-Yao; Su, Yu-Xuan; Zhang, Jing-Wei; Zhang, Xin-Yu; Zhu, Shou-Fei","Chiral <i>gem</i>-difluoroalkyl reagents: <i>gem</i>-difluoroalkyl propargylic borons and <i>gem</i>-difluoroalkyl α-allenols.","Chemical science","2023","14","34","9186","9190","10.1039/d3sc03266c","","x-ray","0.71073","MoKα","","0.1428","0.0677","","","0.1228","0.1648","","","","","","1.024","","","","has coordinates","286070","2023-09-05","19:21:48",""
"1569655","12.4143","0.0007","19.3563","0.0009","13.0636","0.0006","90","","103.997","0.003","90","","3045.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NHAC (Control)","","- C41 H29 N5 O2 -","- C41 H29 N5 O2 -","- C164 H116 N20 O8 -","4","1","","Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh","Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.","Nanoscale","2023","15","35","14380","14387","10.1039/d3nr02903d","","","0.71073","MoKα","","0.0927","0.0558","","","0.1134","0.1304","","","","","","1.0086","","","","has coordinates","286755","2023-10-06","00:22:45",""
"1569656","10.8845","0.0007","11.1645","0.0007","12.9737","0.0008","98.148","0.004","105.243","0.004","112.124","0.004","1357.02","0.16","296","2","296","","","","","","","","","5","P -1","-P 1","2","","HNBI-B","","- C33 H29 B N2 O3 -","- C33 H29 B N2 O3 -","- C66 H58 B2 N4 O6 -","2","1","","Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh","Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.","Nanoscale","2023","15","35","14380","14387","10.1039/d3nr02903d","","","0.71073","MoKα","","0.0759","0.0541","","","0.1372","0.1498","","","","","","1.037","","","","has coordinates","286755","2023-10-06","00:22:45",""
"1569657","11.7055","0.0002","11.9927","0.0002","16.2739","0.0003","73.063","0.001","74.387","0.001","88.94","0.001","2100.35","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","HNBI-B","","- C29 H21 B N2 O -","- C29 H21 B N2 O -","- C116 H84 B4 N8 O4 -","4","2","","Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh","Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.","Nanoscale","2023","15","35","14380","14387","10.1039/d3nr02903d","","","0.71073","MoKα","","0.0827","0.0554","","","0.1288","0.1416","","","","","","1.073","","","","has coordinates","286755","2023-10-06","00:22:45",""
"1569658","7.5475","0.0001","10.6805","0.0001","11.8682","0.0002","94.694","0.001","107.997","0.002","109.497","0.001","839.27","0.02","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H22 Cl6 In N3 O -","- C6 H22 Cl6 In N3 O -","- C12 H44 Cl12 In2 N6 O2 -","2","1","","Li, Dong-Yang; Shang, Yan-Bing; Liu, Qi; Zhang, Hua-Wu; Zhang, Xin-Yue; Yue, Cheng-Yang; Lei, Xiao-Wu","0D hybrid indium halide as a highly efficient X-ray scintillation and ultra-sensitive fluorescent probe.","Materials horizons","2023","10","11","5004","5015","10.1039/d3mh00536d","","","1.54178","CuKα","","0.0251","0.0231","","","0.0625","0.0632","","","","","","1.048","","","","has coordinates","287427","2023-11-06","08:33:13",""
"1569659","7.8936","0.0003","11.084","0.0005","12.1633","0.0005","94.554","0.002","108.689","0.002","109.006","0.001","932.85","0.07","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H22 Br6 In N3 O -","- C6 H22 Br6 In N3 O -","- C12 H44 Br12 In2 N6 O2 -","2","1","","Li, Dong-Yang; Shang, Yan-Bing; Liu, Qi; Zhang, Hua-Wu; Zhang, Xin-Yue; Yue, Cheng-Yang; Lei, Xiao-Wu","0D hybrid indium halide as a highly efficient X-ray scintillation and ultra-sensitive fluorescent probe.","Materials horizons","2023","10","11","5004","5015","10.1039/d3mh00536d","","","0.71073","MoKα","","0.053","0.0311","","","0.0566","0.0619","","","","","","1.07","","","","has coordinates","287427","2023-11-06","08:33:14",""
"1569660","8.3288","0.0002","22.8188","0.0008","10.9506","0.0003","90","","90.53","0.002","90","","2081.11","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 S -","- C20 H27 Br N2 O2 S -","- C80 H108 Br4 N8 O8 S4 -","4","2","","Zhang, Dongjie; Fan, Junjie; Shi, Yaqi; Huang, Yankai; Fu, Chunling; Wu, Xiaoyan; Ma, Shengming","Copper-catalyzed propargylic C-H functionalization for allene syntheses.","Chemical science","2023","14","34","9191","9196","10.1039/d3sc01501g","","","0.71073","MoKα","","0.0912","0.0488","","","0.0948","0.112","","","","","","1.011","","","","has coordinates","286073","2023-09-05","19:22:21",""
"1569661","9.6536","0.0009","9.0435","0.0009","21.599","0.002","90","","94.473","0.002","90","","1879.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-3-methoxyphenol","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","HB4442","Sung, Jiha","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methoxyphenol","IUCrData","2023","8","8","","","10.1107/S2414314623006685","","","0.71073","MoKα","","0.1143","0.0586","","","0.1491","0.1841","","","","","","0.922","","","","has coordinates","285622","2023-08-11","02:08:28",""
"1569662","16.2645","0.0016","7.8297","0.0007","22.819","0.002","90","","90","","90","","2905.9","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Methoxyphenyl)-9<i>H</i>-carbazole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","HB4441","Ganesan, Prabhu; Jasmine, Nithianantham Jeeva; Darious, Robert Swinton; Soundararajan, Krishnan; Rajalingam, Renganathan","9-(4-Methoxyphenyl)-9H-carbazole","IUCrData","2023","8","8","","","10.1107/S2414314623006740","","","0.71073","MoKα","","0.1039","0.0458","","","0.102","0.1355","","","","","","1.082","","","","has coordinates","285623","2023-08-11","02:08:54",""
"1569663","9.1138","0.0008","9.4045","0.0008","14.4758","0.0013","97.3","0.001","94.045","0.001","114.149","0.001","1112.63","0.17","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ~3~-3-(2-carboxylatophenyl)propionato][μ~2~-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate]","","- C24 H24 Cu N4 O7 -","- C24 H24 Cu N4 O7 -","- C48 H48 Cu2 N8 O14 -","2","1","BH4076","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ3-3-(2-carboxylatophenyl)propionato][μ2-N,N′-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","8","","","10.1107/S241431462300679X","","","0.71073","MoKα","","0.0522","0.0386","","","0.0849","0.0924","","","","","","1.05","","","","has coordinates,has disorder","285624","2023-08-11","02:09:18",""
"1569664","5.80631","0.00011","7.77611","0.00012","31.5189","0.0006","90","","90","","90","","1423.09","0.04","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0318","0.0297","","","0.077","0.0782","","","","","","1.034","","","","has coordinates","286720","2023-10-05","23:53:25",""
"1569665","43.729","0.002","9.4992","0.0004","7.5184","0.0003","90","","90","","90","","3123.1","0.2","140","0.1","140","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N-(4-(1-Azido-4-phenylbut-3-yn-2-yl)phenyl)acetamide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0855","0.0552","","","0.1309","0.146","","","","","","1.041","","","","has coordinates,has disorder","286720","2023-10-05","23:53:25",""
"1569666","7.7964","0.0006","11.2004","0.0008","20.4101","0.0014","85.406","0.002","89.714","0.002","82.273","0.002","1760.4","0.2","110","","110","","","","","","","","","9","P -1","-P 1","2","","FeNiFe","","- C22 H42 B2 F8 Fe2 N8 Ni O2 S4 -","- C22 H42 B2 F8 Fe2 N8 Ni O2 S4 -","- C44 H84 B4 F16 Fe4 N16 Ni2 O4 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0906","0.0675","","","0.1588","0.1709","","","","","","1.139","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569667","7.9001","0.001","11.192","0.0013","20.377","0.002","85.43","0.003","89.241","0.003","82.767","0.002","1781.7","0.4","120","","120","","","","","","","","","9","P -1","-P 1","2","","FePtFe","","- C22 H42 B2 F8 Fe2 N8 O2 Pt S4 -","- C22 H42 B2 F8 Fe2 N8 O2 Pt S4 -","- C44 H84 B4 F16 Fe4 N16 O4 Pt2 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0439","0.0355","","","0.0781","0.0806","","","","","","1.024","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569668","7.8814","0.0004","11.2","0.0005","20.5038","0.0009","85.329","0.001","89.194","0.001","82.402","0.001","1788.05","0.14","110","","110","","","","","","","","","9","P -1","-P 1","2","","FePdFe","","- C22 H42 B2 F8 Fe2 N8 O2 Pd S4 -","- C22 H42 B2 F8 Fe2 N8 O2 Pd S4 -","- C44 H84 B4 F16 Fe4 N16 O4 Pd2 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0529","0.0422","","","0.1079","0.1219","","","","","","1.172","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569669","28.0881","0.0003","18.3857","0.0002","82.4807","0.001","90","","91.541","0.001","90","","42579.2","0.8","120","","120","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -","- C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -","- C1632 H1536 Ag108 Au60 Cu24 O24 P48 S96 -","12","1.5","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.0753","0.0423","","","0.0892","0.0952","","","","","","0.821","","","","has coordinates","286155","2023-09-05","20:02:00",""
"1569670","23.4047","0.0007","56.3203","0.0016","46.1622","0.0018","90","","90","","90","","60849","3","120","","120","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","","- C120 H80 Ag11.27 Au4.73 Cl16 O2 P4 S8 -","- C120 H80 Ag11.292 Au4.708 Cl16 O2 P4 S8 -","- C1920 H1280 Ag180.672 Au75.328 Cl256 O32 P64 S128 -","16","1","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.1605","0.1193","","","0.3143","0.3458","","","","","","1.041","","","","has coordinates,has disorder","286155","2023-09-05","20:02:00",""
"1569671","15.839","0.002","21.943","0.003","23.474","0.002","87.071","0.009","83.398","0.009","78.741","0.01","7945","1.7","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C127.65 H110.72 Ag11 Au5 Cl5.35 O2 P4 S8 -","- C127.65 H110.71 Ag11 Au5 Cl5.35 O2 P4 S8 -","- C255.3 H221.42 Ag22 Au10 Cl10.7 O4 P8 S16 -","2","1","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.0914","0.0656","","","0.1686","0.181","","","","","","0.925","","","","has coordinates,has disorder","286155","2023-09-05","20:02:00",""
"1569672","30.937","0.0002","30.937","0.0002","31.2314","0.0003","90","","90","","90","","29891.5","0.4","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C224 H96 N8 O144 Ru24 -","- C224 H72 N8 O144 Ru24 -","- C448 H144 N16 O288 Ru48 -","2","0.125","","Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei","Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra.","Chemical science","2023","14","35","9543","9552","10.1039/d3sc02888g","","x-ray","0.71073","MoKα","","0.0624","0.0505","","","0.1402","0.1533","","","","","","1.009","","","","has coordinates","286718","2023-10-05","23:53:06",""
"1569673","12.337","0.003","32.664","0.007","12.964","0.003","90","","93.65","0.03","90","","5214","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C170.2 H159.2 Br1.4 Mn7.4 N24 O32.2 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.137","0.1105","","","0.3109","0.3311","","","","","","1.039","","","","has coordinates,has disorder","286717","2023-10-05","23:52:54",""
"1569674","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.375 H46.6 Br0.35 Mn1.85 N6 O7.775 -","- C177.5 H186.4 Br1.4 Mn7.4 N24 O31.1 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1433","0.108","","","0.3106","0.338","","","","","","1.24","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569675","12.344","0.003","32.785","0.007","12.996","0.003","90","","93.93","0.03","90","","5247","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43.5 H43.8 Br0.35 Mn1.85 N6 O7.95 -","- C43.55 H43.8 Br0.35 Mn1.85 N6 O8 -","- C174.2 H175.2 Br1.4 Mn7.4 N24 O32 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1506","0.1136","","","0.3302","0.3554","","","","","","1.289","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569676","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1519","0.1137","","","0.3233","0.3543","","","","","","1.293","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569677","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H43.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1378","0.1121","","","0.3294","0.3533","","","","","","1.404","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569678","12.4279","0.0011","33.146","0.003","12.9816","0.0013","90","","95.071","0.008","90","","5326.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H40.5 Br0.5 Mn2 N8.5 O6.25 -","- C43 H40.5 Br0.5 Mn2 N8.5 O6.5 -","- C172 H162 Br2 Mn8 N34 O26 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.3346","0.1303","","","0.3507","0.3995","","","","","","0.907","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569679","12.4134","0.0013","33.362","0.004","12.9953","0.0013","90","","95.565","0.009","90","","5356.5","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H35.75 Br0.5 Mn2 N7.5 O7.5 -","- C42 H37.25 Br0.375 Mn2 N7.5 O7.5 -","- C168 H149 Br1.5 Mn8 N30 O30 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.2576","0.1209","","","0.3187","0.353","","","","","","0.878","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569680","9.8933","0.0006","17.588","0.0009","18.9275","0.0012","90","","91.121","0.002","90","","3292.8","0.3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 N O3 P2 Ru -","- C39 H39 N O3 P2 Ru -","- C156 H156 N4 O12 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0218","0.0204","","","0.0509","0.0519","","","","","","1.05","","","","has coordinates","286695","2023-10-05","23:25:46",""
"1569681","9.845","0.002","17.644","0.004","19.132","0.004","90","","90.757","0.007","90","","3323","1.2","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O2 P2 Ru -","- C39 H38 N2 O2 P2 Ru -","- C156 H152 N8 O8 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0514","0.0402","","","0.0942","0.1008","","","","","","1.06","","","","has coordinates","286695","2023-10-05","23:25:47",""
"1569682","9.8638","0.001","17.891","0.002","19.013","0.002","90","","90.761","0.004","90","","3355","0.6","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N O2 P2 Ru -","- C41 H39 N O2 P2 Ru -","- C164 H156 N4 O8 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.032","0.0273","","","0.0676","0.0704","","","","","","1.041","","","","has coordinates","286695","2023-10-05","23:25:47",""
"1569683","29.656","0.005","9.775","0.0017","25.141","0.004","90","","106.902","0.005","90","","6973","2","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N O2 P2 Ru -","- C43 H39 N O2 P2 Ru -","- C344 H312 N8 O16 P16 Ru8 -","8","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0571","0.0501","","","0.0926","0.0955","","","","","","1.214","","","","has coordinates,has disorder","286695","2023-10-05","23:25:47",""
"1569684","21.5986","0.0012","10.9746","0.0006","7.7065","0.0004","90","","93.459","0.003","90","","1823.39","0.17","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N -","- C12 H11 N -","- C96 H88 N8 -","8","2","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","1.54178","CuKα","","0.1405","0.1129","","","0.3267","0.3468","","","","","","1.087","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569685","13.0447","0.001","8.5595","0.0006","11.9652","0.0008","90","","112.44","0.002","90","","1234.83","0.15","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 I N -","- C13 H14 I N -","- C52 H56 I4 N4 -","4","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","0.71073","MoKα","","0.0604","0.0558","","","0.1154","0.1169","","","","","","1.404","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569686","18.5283","0.0004","9.7746","0.0002","20.5","0.0004","90","","98.901","0.001","90","","3667.98","0.13","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 N2 O -","- C44 H54 Cl2 N2 O -","- C176 H216 Cl8 N8 O4 -","4","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","1.54178","CuKα","","0.0308","0.0296","","","0.0786","0.0797","","","","","","1.058","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569687","10.1283","0.0006","15.0534","0.0008","15.6108","0.0009","105.878","0.002","105.252","0.002","108.949","0.002","1996.7","0.2","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C46 H59 Cl2 N3 O2 -","- C46 H59 Cl2 N3 O2 -","- C92 H118 Cl4 N6 O4 -","2","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","0.71073","MoKα","","0.0336","0.0325","","","0.089","0.0901","","","","","","1.043","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569688","19.7947","0.0003","19.7947","0.0003","16.0477","0.0003","90","","90","","90","","6287.97","0.18","200","2","200","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H40 Fe2 N24 O4 W -","- C56 H40 Fe2 N24 O4 W -","- C224 H160 Fe8 N96 O16 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.023","0.0201","","","0.0523","0.0535","","","","","","1.095","","","","has coordinates","286711","2023-10-05","23:51:34",""
"1569689","18.8695","0.0004","18.8695","0.0004","15.4503","0.0005","90","","90","","90","","5501.2","0.2","80","2","80","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0378","0.034","","","0.0665","0.0674","","","","","","1.114","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569690","19.1966","0.0004","19.1966","0.0004","15.8129","0.0005","90","","90","","90","","5827.2","0.3","200","2","200","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0437","0.0393","","","0.0734","0.0747","","","","","","1.136","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569691","19.1481","0.0004","19.1481","0.0004","15.7535","0.0006","90","","90","","90","","5776","0.3","140","2","140","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0779","0.0788","","","","","","1.157","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569692","10.581","0.0003","12.0311","0.0003","20.7727","0.0005","90","","90","","90","","2644.39","0.12","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N4 O2 -","- C31 H23 F3 N4 O2 -","- C124 H92 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0379","0.033","","","0.0834","0.0889","","","","","","1.033","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569693","10.5678","0.0002","11.8802","0.0003","21.0636","0.0004","90","","90","","90","","2644.48","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F3 N4 O2 -","- C31 H27 F3 N4 O2 -","- C124 H108 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.032","0.0293","","","0.0738","0.0759","","","","","","1.036","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569694","11.977","0.005","11.977","","42.045","0.013","90","","90","","90","","6031","3","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","","","- C36 H34 N4 O3 -","- C36 H34 N4 O3 -","- C288 H272 N32 O24 -","8","2","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0656","0.0488","","","0.1268","0.1399","","","","","","1.029","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569695","14.7098","0.0002","20.7473","0.0003","14.7414","0.0003","90","","104.923","0.0017","90","","4347.17","0.13","100","0.18","100","0.18","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H43.78 Cu F6 N4 O4 P -","- C46 H43.778 Cu F6 N4 O4 P -","- C184 H175.112 Cu4 F24 N16 O16 P4 -","4","1","","Wang, Lei; Xie, Zhu-Lin; Li, Xin; Lynch, Vincent M.; Mulfort, Karen L.","Optical detection of alcohols with a Cu(I)HETPHEN complex by reversible aldehyde to hemiacetal conversion.","The Analyst","2023","148","18","4274","4278","10.1039/d3an01005h","","x-ray","1.54184","CuKα","","0.0668","0.0605","","","0.1633","0.1675","","","","","","1.179","","","","has coordinates,has disorder","286692","2023-10-05","23:24:41",""
"1569696","13.52666","0.00016","18.9337","0.0002","17.8755","0.0003","90","","106.542","0.0013","90","","4388.6","0.11","100.02","0.13","100.02","0.13","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H38 Cl2 Cu F6 N4 O2 P -","- C45 H38 Cl2 Cu F6 N4 O2 P -","- C180 H152 Cl8 Cu4 F24 N16 O8 P4 -","4","1","","Wang, Lei; Xie, Zhu-Lin; Li, Xin; Lynch, Vincent M.; Mulfort, Karen L.","Optical detection of alcohols with a Cu(I)HETPHEN complex by reversible aldehyde to hemiacetal conversion.","The Analyst","2023","148","18","4274","4278","10.1039/d3an01005h","","x-ray","1.54184","CuKα","","0.0465","0.0407","","","0.1125","0.1177","","","","","","1.046","","","","has coordinates","286692","2023-10-05","23:24:41",""
"1569697","9.0318","0.0005","12.2358","0.0006","13.0518","0.0007","90","","90","","90","","1442.37","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cd I4 N2 -","- C4 H12 Cd I4 N2 -","- C16 H48 Cd4 I16 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H<sub>12</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>4</sub> to H<sub>11</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>3</sub>: a highly polarizable CdNI<sub>3</sub> tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","0.71073","MoKα","","0.0461","0.0408","","","0.085","0.0883","","","","","","1.047","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569698","14.368","0.0006","7.1349","0.0001","13.7778","0.0005","90","","121.298","0.005","90","","1206.88","0.09","109","3","109","3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Cd I3 N2 -","- C4 H11 Cd I3 N2 -","- C16 H44 Cd4 I12 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H<sub>12</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>4</sub> to H<sub>11</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>3</sub>: a highly polarizable CdNI<sub>3</sub> tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","1.54184","CuKα","","0.0425","0.0424","","","0.1041","0.1043","","","","","","1.061","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569699","8.7095","0.0004","8.6086","0.0004","19.3283","0.0008","90","","93.799","0.002","90","","1445.99","0.11","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0907","0.0576","","","0.1263","0.1457","","","","","","1.001","","","","has coordinates","286716","2023-10-05","23:52:31",""
"1569700","7.3855","0.0018","10.729","0.003","12.101","0.004","65.688","0.01","78.414","0.011","71.301","0.009","825.1","0.4","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C40 H36 O10 -","2","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0884","0.0677","","","0.1592","0.1743","","","","","","1.036","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569701","9.0013","0.0018","16.186","0.003","21.094","0.004","90","","90","","90","","3073.3","1","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0959","0.0667","","","0.156","0.1741","","","","","","1.049","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569702","10.4074","0.0006","18.1894","0.001","9.8502","0.0006","90","","100.929","0.002","90","","1830.87","0.18","101","2","101","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","x-ray","0.71073","MoKα","","0.0649","0.0548","","","0.1341","0.1431","","","","","","1.052","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569703","10.583","0.008","7.649","0.006","20.107","0.014","90","","104.03","0.02","90","","1579","2","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.1618","0.0893","","","0.2088","0.2582","","","","","","1.008","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569704","9.538","0.002","10.289","0.002","16.613","0.004","90","","94.677","0.01","90","","1624.9","0.6","139","2","139","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0856","0.0604","","","0.1283","0.1416","","","","","","1.038","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569705","3.9804","0.0001","11.8021","0.0004","12.6373","0.0004","103.661","0.001","96.063","0.001","98.357","0.001","564.66","0.03","293","2","293","","","","","","","","","4","P -1","-P 1","2","","thianthreno[2,3-c][1,2,5]thiadiazole","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C24 H12 N4 S6 -","2","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.032","0.0305","","","0.0788","0.0805","","","","","","1.098","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569706","14.4489","0.001","3.8802","0.0002","18.6217","0.0013","90","","93.458","0.003","90","","1042.12","0.12","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","phenoxathiino[2,3-c][1,2,5]thiadiazole","","- C12 H6 N2 O S2 -","- C12 H6 N2 O S2 -","- C48 H24 N8 O4 S8 -","4","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.0651","0.0414","","","0.092","0.1034","","","","","","1.035","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569707","22.528","0.003","3.9061","0.0004","22.895","0.003","90","","96.977","0.01","90","","1999.8","0.4","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","benzo[5',6'][1,4]dioxino[2',3':4,5]benzo[1,2-c][1,2,5]thiadiazole","","- C12 H6 N2 O2 S -","- C12 H6 N2 O2 S -","- C96 H48 N16 O16 S8 -","8","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.1256","0.0836","","","0.2054","0.2194","","","","","","1.098","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569708","8.0594","0.0003","8.1066","0.0002","9.6165","0.0003","101.514","0.002","91.816","0.003","90.723","0.002","615.22","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","BDAAGSBBR8","","- C8 H28 Ag Br8 N4 Sb -","- C8 H28 Ag Br8 N4 Sb -","- C8 H28 Ag Br8 N4 Sb -","1","0.5","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0723","0.0628","","","0.1463","0.1529","","","","","","1.058","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569709","8.1086","0.0002","13.3832","0.0004","14.4748","0.0003","90","","90","","90","","1570.79","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br5 N2 Sb -","- C6 H18 Br5 N2 Sb -","- C24 H72 Br20 N8 Sb4 -","4","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0759","0.0582","","","0.1161","0.1217","","","","","","1.037","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569710","7.9577","0.0003","8.2842","0.0004","11.9964","0.0007","72.473","0.005","82.03","0.004","89.433","0.004","746.42","0.07","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ag0.5 Bi0.5 Br4 N2 -","- C6 H18 Ag0.5 Bi0.5 Br4 N2 -","- C12 H36 Ag Bi Br8 N4 -","2","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0977","0.0877","","","0.2169","0.2209","","","","","","1.161","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569711","8.1078","0.0002","8.2497","0.0002","9.687","0.0002","101.157","0.002","92.086","0.002","90.386","0.002","635.2","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","BDA2AgBiBr8","","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","1","0.5","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0819","0.0698","","","0.1984","0.2106","","","","","","1.042","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569712","5.2057","0.0001","20.7249","0.0005","12.8023","0.0003","90","","99.7432","0.0015","90","","1361.29","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Kitcatt, David M.; Scott, Katie A.; Rongione, Elena; Nicolle, Simon; Lee, Ai-Lan","Direct decarboxylative Giese amidations: photocatalytic <i>vs.</i> metal- and light-free.","Chemical science","2023","14","36","9806","9813","10.1039/d3sc03143h","","","1.54178","CuKα","","0.205","0.1991","","","0.5464","0.5539","","","","","","1.026","","","","has coordinates","286712","2023-10-05","23:51:42",""
"1569713","16.0468","0.0004","16.0468","0.0004","9.8253","0.0003","90","","90","","120","","2191.06","0.1","120","2","120","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] chloride","","- C36 H23 Cl N6 O12 Ru -","- C36 H23.0001 Cl N6 O12 Ru -","- C72 H46.0002 Cl2 N12 O24 Ru2 -","2","0.333333","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.0635","0.0613","","","0.1505","0.152","","","","","","1.087","","","","has coordinates","286714","2023-10-05","23:51:58",""
"1569714","13.2103","0.0017","12.687","0.002","25.365","0.004","90","","99.389","0.014","90","","4194.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Lithium [Ru(II)(1,10-phenanthroline-5,6-semiquinone)3]","","- C45 H39 Li N9 O9 Ru -","- C45 H39 Li N9 O9 Ru -","- C180 H156 Li4 N36 O36 Ru4 -","4","1","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.202","0.121","","","0.2421","0.2834","","","","","","1.068","","","","has coordinates","286714","2023-10-05","23:51:59",""
"1569715","9.5706","0.0005","27.2115","0.0013","16.1676","0.001","90","","90.702","0.005","90","","4210.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] Bromide","","- C36 H23 Br N6 O8 Ru -","- C36 H23 Br N6 O8 Ru -","- C144 H92 Br4 N24 O32 Ru4 -","4","1","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.1254","0.0717","","","0.1709","0.199","","","","","","1.023","","","","has coordinates,has disorder","286714","2023-10-05","23:51:59",""
"1569716","25.843","0.0019","11.7629","0.0008","22.1155","0.0017","90","","114.085","0.003","90","","6137.6","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Br, C34 H26 P, C2 H6 O, C2 H6 O, H2 O","","- C74 H74 Br2 O5 P2 -","- C74 H74 Br2 O5 P2 -","- C296 H296 Br8 O20 P8 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0678","0.0559","","","0.1604","0.1709","","","","","","1.07","","","","has coordinates","287327","2023-11-06","07:07:51",""
"1569717","12.23","0.002","12.471","0.003","19.36","0.005","90","","90","","90","","2952.8","1.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1147","0.085","","","0.1952","0.211","","","","","","1.074","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569718","11.0759","0.0008","11.4222","0.0008","27.0428","0.0017","90","","90","","90","","3421.2","0.4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Cl2 F4 O2 P -","- C35 H32 B Cl2 F4 O2 P -","- C140 H128 B4 Cl8 F16 O8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1029","0.0892","","","0.2507","0.2667","","","","","","1.13","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569719","12.2","0.004","12.614","0.003","19.437","0.005","90","","90","","90","","2991.2","1.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0837","0.0587","","","0.1536","0.1693","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569720","11.0745","0.0007","11.4366","0.0008","27.0879","0.0017","90","","90","","90","","3430.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C136 H104 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0892","0.0583","","","0.1327","0.1448","","","","","","0.949","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569721","8.6233","0.0014","18.799","0.003","19.623","0.003","113.171","0.005","95.078","0.006","93.304","0.005","2898.1","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 Cl6 Mn2 O10 P2 -","- C58 H50 Cl6 Mn2 O10 P2 -","- C116 H100 Cl12 Mn4 O20 P4 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1052","0.0738","","","0.2056","0.2322","","","","","","1.128","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569722","29.9808","0.0017","23.9647","0.0012","32.511","0.003","90","","116.312","0.002","90","","20938","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H184 B4 F16 P4 -","- C208 H184 B4 F16 P4 -","- C832 H736 B16 F64 P16 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","1.34139","GaKα","","0.1274","0.0981","","","0.2467","0.2618","","","","","","1.013","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569723","11.7291","0.0011","21.4215","0.0019","19.3277","0.0019","90","","106.219","0.004","90","","4662.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 Cl4 Mn O9 P2 -","- C52 H38 Cl4 Mn O9 P2 -","- C208 H152 Cl16 Mn4 O36 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0525","0.0438","","","0.1069","0.1123","","","","","","1.052","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569724","12.28","0.004","12.55","0.004","19.659","0.006","90","","90","","90","","3029.7","1.7","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Br Cl2 P -","- C35 H28 Br Cl2 P -","- C140 H112 Br4 Cl8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0451","0.0427","","","0.1165","0.1194","","","","","","1.058","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569725","32.764","0.003","8.5089","0.0008","19.653","0.002","90","","118.644","0.006","90","","4808.4","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 P2 -","- C64 H56 P2 -","- C256 H224 P8 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1063","0.0632","","","0.1654","0.1979","","","","","","0.99","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569726","11.3669","0.0007","11.7224","0.0007","18.4484","0.0012","90","","92.265","0.002","90","","2456.3","0.3","193","2","193.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B F4 P -","- C32 H22 B F4 P -","- C128 H88 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0562","0.0469","","","0.1224","0.13","","","","","","1.028","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569727","9.2214","0.0009","13.2109","0.0012","18.8909","0.0016","95.7","0.003","99.414","0.003","101.148","0.004","2207","0.4","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(6,6'-bis(4-methoxyphenyl)-[1,1'-binaphthalene]-2,2'-diyl)bis(diphenylphosphane)","","- C58 H44 O2 P2 -","- C58 H44 O2 P2 -","- C116 H88 O4 P4 -","2","2","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0556","0.0461","","","0.1212","0.1313","","","","","","1.035","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569728","11.8054","0.0004","11.5114","0.0004","19.2346","0.0007","90","","93.387","0.001","90","","2609.35","0.16","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F6 P2 -","- C32 H22 F6 P2 -","- C128 H88 F24 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1001","0.0774","","","0.214","0.2335","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569729","8.1589","0.0006","13.3454","0.0011","20.1127","0.0015","105.202","0.003","99.249","0.003","92.305","0.004","2078","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H40 P2 -","- C56 H40 P2 -","- C112 H80 P4 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0629","0.0486","","","0.1513","0.1723","","","","","","1.121","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569730","11.5658","0.0005","14.0383","0.0007","12.2223","0.0006","90","","116.441","0.001","90","","1776.88","0.15","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H34 B F4 O2 P -","- C46 H34 B F4 O2 P -","- C92 H68 B2 F8 O4 P2 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0851","0.0503","","","0.1125","0.1389","","","","","","1.051","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569731","13.5549","0.0015","18.4613","0.0018","8.6468","0.0009","90","","90","","90","","2163.8","0.4","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C58 H44 P2 -","- C58 H44 P2 -","- C116 H88 P4 -","2","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0873","0.0598","","","0.147","0.1638","","","","","","1.027","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569732","12.2007","0.0007","18.1269","0.0012","20.8115","0.0011","90","","90","","90","","4602.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H46 Cl2 P2 -","- C59 H46 Cl2 P2 -","- C236 H184 Cl8 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1395","0.0676","","","0.1655","0.2259","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569733","16.4557","0.0004","30.7351","0.0006","37.4768","0.001","90","","97.714","0.002","90","","18783","0.8","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C162 H158 Ag18 Cl8 F12 P12 Pt Sb2 -","- C162 H158 Ag18 Cl8 F12 P12 Pt Sb2 -","- C648 H632 Ag72 Cl32 F48 P48 Pt4 Sb8 -","4","0.5","","Wang, Meng; Wang, Lin; Wu, Haoyuan; Sun, Jing; Xu, Xiaoxuan; Guo, Shuo; Jia, Yanyuan; Li, Simin; Guan, Zong-Jie; Shen, Hui","PtAg<sub>18</sub> superatoms costabilized by phosphines and halides: synthesis, structure, and catalysis.","Nanoscale","2023","15","44","17818","17824","10.1039/d3nr02196c","","x-ray","1.54184","CuKα","","0.1239","0.0826","","","0.2206","0.2627","","","","","","1.019","","","","has coordinates","288825","2024-01-06","08:29:42",""
"1569734","10.683","0.002","11.347","0.002","13.203","0.003","90","","107.491","0.003","90","","1526.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diethyl 2,2'-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","","- C28 H34 Cl N3 O9 S -","- C28 H34 Cl N3 O9 S -","- C56 H68 Cl2 N6 O18 S2 -","2","1","TK4094","Ramli, Youssef; Al Garadi, Wedad; El Hafi, Mohamed; Lhoussaine, Elghayati; Essassi, El Mokhtar; Alsubari, Abdulsalam; Mague, Joel T.","Diethyl 2,2′-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","IUCrData","2023","8","8","","","10.1107/S2414314623006995","","","0.71073","MoKα","","0.0744","0.056","","","0.1439","0.1539","","","","","","1.061","","","","has coordinates,has disorder","285873","2023-08-25","02:01:20",""
"1569735","9.7458","0.0009","15.2404","0.0014","15.8334","0.0014","90","","91.303","0.006","90","","2351.1","0.4","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H33 Cl2 Cu N5 O8 -","- C14 H33 Cl2 Cu N5 O8 -","- C56 H132 Cl8 Cu4 N20 O32 -","4","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0821","0.0701","","","0.1947","0.208","","","","","","0.925","","","","has coordinates","287288","2023-11-06","06:16:41",""
"1569736","10.2096","0.0011","9.5739","0.001","12.8306","0.0011","90","","106.747","0.007","90","","1200.9","0.2","115","","115","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 Cu N5 O8 -","- C20 H21 Cl2 Cu N5 O8 -","- C40 H42 Cl4 Cu2 N10 O16 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0422","0.0369","","","0.0897","0.0919","","","","","","1.042","","","","has coordinates","287288","2023-11-06","06:16:50",""
"1569737","20.0899","0.0017","10.2143","0.001","23.1418","0.0018","90","","101.316","0.007","90","","4656.5","0.7","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 Cl2 Cu N5 O8.5 -","- C18 H25 Cl2 Cu N5 O8.5 -","- C144 H200 Cl16 Cu8 N40 O68 -","8","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.034","0.0316","","","0.0854","0.0893","","","","","","1.085","","","","has coordinates","287288","2023-11-06","06:16:53",""
"1569738","11.4909","0.0012","9.9244","0.0012","21.336","0.002","90","","99.433","0.007","90","","2400.3","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cl2 Cu N5 O8 -","- C19 H27 Cl2 Cu N5 O8 -","- C76 H108 Cl8 Cu4 N20 O32 -","4","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.1203","0.1001","","","0.2412","0.2545","","","","","","1.041","","","","has coordinates","287288","2023-11-06","06:17:04",""
"1569739","12.9525","0.0009","13.3361","0.0011","20.9485","0.0014","83.572","0.006","78.793","0.005","66.559","0.005","3254.2","0.4","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H91 B2 Cu N11 -","- C71 H91 B2 Cu N11 -","- C142 H182 B4 Cu2 N22 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0573","0.0403","","","0.0983","0.1059","","","","","","1.02","","","","has coordinates","287288","2023-11-06","06:17:08",""
"1569740","10.9182","0.0002","22.7514","0.0005","11.4864","0.0003","90","","101.588","0.002","90","","2795.11","0.11","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 F4 I2 N4 O -","- C25 H32 F4 I2 N4 O -","- C100 H128 F16 I8 N16 O4 -","4","1","","Huang, Shiwen; Zheng, Jianlin; Jiang, Zihao; Liu, Jiaxiong; Liu, Yiliu","Exploring the supramolecular chemistry of cyclopropeniums: halogen-bonding-induced electrostatic assembly of polymers.","Chemical science","2023","14","36","9820","9826","10.1039/d3sc03086e","","x-ray","1.54184","CuKα","","0.0745","0.0642","","","0.1662","0.1788","","","","","","1.05","","","","has coordinates","286713","2023-10-05","23:51:49",""
"1569741","8.3614","0.0001","8.3614","0.0001","18.0048","0.0006","90","","90","","90","","1258.77","0.05","150","","150","","","","","","","","","4","I -4","I -4","82","","","","- C28 H22 Fe N8 -","- C28 H22 Fe N8 -","- C56 H44 Fe2 N16 -","2","0.25","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1076","0.0893","","","0.2242","0.2463","","","","","","1.072","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569742","23.182","0.0006","19.7134","0.0003","20.7973","0.0004","90","","102.186","0.002","90","","9290.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FeIIICAB-2CM-150K","","- C28 H26 F6 Fe N8 P -","- C28 H26 F6 Fe N8 P -","- C336 H312 F72 Fe12 N96 P12 -","12","3","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1172","0.059","","","0.1392","0.1645","","","","","","0.992","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569743","9.3359","0.0013","10.169","0.003","20.658","0.003","90","","90","","90","","1961.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C80 H104 N8 O24 -","8","1","","Malik, Monika; Senatore, Raffaele; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio","Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides.","Chemical science","2023","14","37","10140","10146","10.1039/d3sc03216g","","x-ray","1.54186","CuKα","","0.056","0.0549","","","0.1523","0.1541","","","","","","1.051","","","","has coordinates","286698","2023-10-05","23:43:41",""
"1569744","35.3671","0.0011","7.1383","0.0002","28.5374","0.0006","90","","98.983","0.002","90","","7116.2","0.3","293","","293","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C64 H72 Ag2 B2 F8 N8 O12 -","- C64 H72 Ag2 B2 F8 N8 O12 -","- C256 H288 Ag8 B8 F32 N32 O48 -","4","1","","An, Shuguo; Hao, Aiyou; Xing, Pengyao","Supramolecular axial chirality in [N-I-N]<sup>+</sup>-type halogen bonded dimers.","Chemical science","2023","14","37","10194","10202","10.1039/d3sc03170e","","x-ray","1.54184","CuKα","","0.1242","0.0706","","","0.1668","0.1908","","","","","","1.002","","","","has coordinates","286701","2023-10-05","23:44:25",""
"1569745","9.435","0.002","15.715","0.004","29.428","0.006","90","","98.613","0.006","90","","4314.1","1.7","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H59 I N O2 P Pd -","- C49 H59 I N O2 P Pd -","- C196 H236 I4 N4 O8 P4 Pd4 -","4","1","","Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.","Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights","Polymer Chemistry","2023","14","37","4319","4337","10.1039/D3PY00580A","","","0.71073","MoKα","","0.1015","0.0568","","","0.097","0.1085","","","","","","1.079","","","","has coordinates,has disorder","286814","2023-10-06","00:53:14",""
"1569746","24.539","0.003","9.9099","0.0013","35.394","0.004","90","","90.752","0.002","90","","8606.3","1.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H61.5 N O2 P Pd -","- C50.5 H61.5 N O2 P Pd -","- C404 H492 N8 O16 P8 Pd8 -","8","2","","Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.","Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights","Polymer Chemistry","2023","14","37","4319","4337","10.1039/D3PY00580A","","","0.71073","MoKα","","0.1403","0.0627","","","0.106","0.131","","","","","","1.007","","","","has coordinates,has disorder","286814","2023-10-06","00:53:23",""
"1569747","15.27","0.0009","16.0942","0.0009","28.5954","0.0017","90","","102.271","0.002","90","","6867","0.7","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 O6 P2 Pd2 -","- C74 H102 O6 P2 Pd2 -","- C296 H408 O24 P8 Pd8 -","4","1","","Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.","Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights","Polymer Chemistry","2023","14","37","4319","4337","10.1039/D3PY00580A","","","0.71073","MoKα","","0.075","0.0478","","","0.0885","0.0972","","","","","","1.044","","","","has coordinates","286814","2023-10-06","00:53:26",""
"1569748","10.8425","0.0008","6.299","0.0008","20.575","0.0019","90","","96.03","0.002","90","","1397.4","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 -","- C18 H14 F4 -","- C72 H56 F16 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0256","0.0193","","","0.0428","0.0455","","","","","","1.0836","","","","has coordinates","286707","2023-10-05","23:50:54",""
"1569749","29.688","0.002","6.2911","0.0005","11.942","0.0008","90","","90.063","0.003","90","","2230.4","0.3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Si2 -","- C24 H34 Si2 -","- C96 H136 Si8 -","4","0.5","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0452","0.0377","","","0.0929","0.0993","","","","","","1.088","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569750","6.2717","0.0008","16.1815","0.0016","18.3606","0.0018","90","","90","","90","","1863.3","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","1.54178","CuKα","","0.0246","0.0241","","","0.0634","0.0637","","","","","","1.021","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569751","10.1015","0.0009","6.0988","0.0005","21.7233","0.0017","90","","90.575","0.004","90","","1338.24","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F -","- C18 H17 F -","- C72 H68 F4 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0219","0.019","","","0.0453","0.0469","","","","","","1.1368","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569752","17.5616","0.0013","5.8909","0.0005","17.906","0.0016","90","","106.549","0.004","90","","1775.7","0.3","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0179","0.013","","","0.0233","0.0253","","","","","","1.0321","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569753","10.719","0.0015","5.9192","0.0012","20.494","0.003","90","","94.366","0.006","90","","1296.5","0.4","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 -","- C18 H18 -","- C72 H72 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0197","0.0139","","","0.0257","0.0273","","","","","","1.0841","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569754","14.77","0.003","19.188","0.004","25.019","0.005","90","","106.906","0.003","90","","6784","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C132 H202 Cs2 O25 Si4 -","- C128 H194 Cs2 O24 Si4 -","- C256 H388 Cs4 O48 Si8 -","2","0.5","","Lirette, Frédéric; Darvish, Ali; Zhou, Zheng; Wei, Zheng; Renn, Lukas; Petrukhina, Marina A.; Weitz, R. Thomas; Morin, Jean-François","Dibenzannulated <i>peri</i>-acenoacenes from anthanthrene derivatives.","Chemical science","2023","14","37","10184","10193","10.1039/d3sc02898d","","x-ray","0.49594","synchrotron","","0.1778","0.1172","","","0.3336","0.3795","","","","","","1.278","","","","has coordinates,has disorder","286697","2023-10-05","23:43:34",""
"1569755","9.7676","0.0015","10.6234","0.0016","12.9739","0.0016","74.896","0.006","74.919","0.006","77.645","0.006","1239.4","0.3","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","methyl 3-(2-hydroxy-7-phenylnaphthalen-1-yl)-3-phenylcyclobutane-1-carboxylate","","- C28 H24 O3 -","- C28 H24 O3 -","- C56 H48 O6 -","2","1","","Tang, Lei; Huang, Qi-Nan; Wu, Feng; Xiao, Yuanjiu; Zhou, Jin-Lan; Xu, Tong-Tong; Wu, Wen-Biao; Qu, Shuanglin; Feng, Jian-Jun","C(sp<sup>2</sup>)-H cyclobutylation of hydroxyarenes enabled by silver-π-acid catalysis: diastereocontrolled synthesis of 1,3-difunctionalized cyclobutanes.","Chemical science","2023","14","36","9696","9703","10.1039/d3sc03258b","","","0.71073","MoKα","","0.0721","0.0585","","","0.176","0.1861","","","","","","1.064","","","","has coordinates","286709","2023-10-05","23:51:13",""
"1569756","8.7211","0.0002","10.4194","0.0002","10.5243","0.0007","106.426","0.007","109.09","0.008","90.373","0.006","861.67","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2'-bipyridine)chloridocopper(II)] dihydrate","","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","1","0.5","TK4095","Nye, Luke; Telfer, Shane G.; Turnbull, Mark M.","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2′-bipyridine)chloridocopper(II)] dihydrate","IUCrData","2023","8","8","","","10.1107/S2414314623007137","","","1.54178","CuKα","","0.0615","0.0474","","","0.112","0.121","","","","","","1.129","","","","has coordinates","285928","2023-08-31","02:12:14",""
"1569757","8.5431","0.0008","9.7391","0.0009","9.9667","0.0009","104.523","0.001","93.049","0.001","99.966","0.001","786.57","0.13","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ~3~-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","1","0.5","","Jia, Jason; LaDuca, Robert L.","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ3-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","IUCrData","2023","8","8","","","10.1107/S2414314623007459","","","0.71073","MoKα","","0.0535","0.0442","","","0.1075","0.1138","","","","","","1.12","","","","has coordinates","285929","2023-08-31","02:12:38",""
"1569758","12.4061","0.0004","15.0978","0.0005","11.6059","0.0003","90","","106.806","0.001","90","","2080.99","0.11","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl N O4 -","- C25 H22 Cl N O4 -","- C100 H88 Cl4 N4 O16 -","4","1","","Jeyaseelan, R.; Utikal, M.; Daniliuc, C. G.; Næsborg, L","Photocyclization by a triplet-triplet annihilation upconversion pair in water - avoiding UV-light and oxygen removal.","Chemical science","2023","14","40","11040","11044","10.1039/d3sc03242f","","single crystal","0.71073","MoKα","","0.0359","0.0308","","","0.0761","0.0804","","","","","","1.065","","","","has coordinates","287317","2023-11-06","07:00:01",""
"1569759","9.549","0.0004","13.356","0.0006","14.7285","0.0006","108.404","0.002","103.569","0.002","95.911","0.002","1700.38","0.13","199.98","","199.98","","","","","","","","","4","P 1","P 1","1","","","","- C30 H52 N4 O5 -","- C29.9995 H51.9988 N4 O5 -","- C59.999 H103.998 N8 O10 -","2","2","","Rabaud, Dorian; Dussart, Paul; Ducouret, Guylaine; Albouy, Pierre-Antoine; Forté, Jérémy; Isare, Benjamin; Bouteiller, Laurent","Development of furan-2,5-dicarboxylic acid (FDCA)-based organogelators.","Soft matter","2023","19","36","6958","6967","10.1039/d3sm00771e","","","1.54178","CuKα","","0.0506","0.0496","","","0.1383","0.1402","","","","","","1.061","","","","has coordinates,has disorder","286816","2023-10-06","00:54:36",""
"1569760","16.4587","0.0002","13.3487","0.00017","20.0214","0.0002","90","","102.204","0.0013","90","","4299.34","0.09","100.03","0.13","100.03","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H41 Cu N6 O2 -","- C56 H41 Cu N6 O2 -","- C224 H164 Cu4 N24 O8 -","4","1","","Xie, Zhu-Lin; Gupta, Nikita; Niklas, Jens; Poluektov, Oleg G.; Lynch, Vincent M.; Glusac, Ksenija D.; Mulfort, Karen L.","Photochemical charge accumulation in a heteroleptic copper(i)-anthraquinone molecular dyad <i>via</i> proton-coupled electron transfer.","Chemical science","2023","14","37","10219","10235","10.1039/d3sc03428c","","x-ray","1.54184","CuKα","","0.0549","0.0481","","","0.125","0.1299","","","","","","1.041","","","","has coordinates,has disorder","286702","2023-10-05","23:44:34",""
"1569761","10.8051","0.0003","13.6401","0.0003","20.0438","0.0005","82.066","0.002","88.421","0.002","72.642","0.002","2792.3","0.13","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H40 Cu F6 N6 O2 P -","- C56 H40 Cu F6 N6 O2 P -","- C112 H80 Cu2 F12 N12 O4 P2 -","2","1","","Xie, Zhu-Lin; Gupta, Nikita; Niklas, Jens; Poluektov, Oleg G.; Lynch, Vincent M.; Glusac, Ksenija D.; Mulfort, Karen L.","Photochemical charge accumulation in a heteroleptic copper(i)-anthraquinone molecular dyad <i>via</i> proton-coupled electron transfer.","Chemical science","2023","14","37","10219","10235","10.1039/d3sc03428c","","","1.54184","CuKα","","0.0491","0.0438","","","0.117","0.1223","","","","","","1.029","","","","has coordinates,has disorder","286702","2023-10-05","23:44:35",""
"1569762","31.3153","0.0002","21.44","0.0002","37.3504","0.0003","90","","97.916","0.001","90","","24838.1","0.3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C204 H158 Ag28 P6 Pt S36 -","- C204 H158 Ag28 P6 Pt S36 -","- C816 H632 Ag112 P24 Pt4 S144 -","4","0.5","","Shen, Honglei; Zhu, Qingtao; Xu, Jiawei; Ni, Kun; Wei, Xiao; Du, Yuanxin; Gao, Shan; Kang, Xi; Zhu, Manzhou","Stepwise construction of Ag<sub>29</sub> nanocluster-based hydrogen evolution electrocatalysts.","Nanoscale","2023","15","36","14941","14948","10.1039/d3nr03537a","","x-ray","1.54186","CuKα","","0.0909","0.0838","","","0.23","0.242","","","","","","1.022","","","","has coordinates","286754","2023-10-06","00:22:32",""
"1569763","7.884","0.0003","7.2121","0.0003","16.7362","0.0006","90","","94.4437","0.0003","90","","948.76","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","1","LT5061","Saifina, Alina F.; Kartashov, Sergey V.; Saifina, Liliya F.; Fayzullin, Robert R.","Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis(2-hydroxyethyl)-6-methyluracil","IUCrJ","2023","10","5","584","602","10.1107/S2052252523007108","","x-ray","0.71073","MoKα","","0.0182","0.0182","","","0.0286","0.0286","","","","","","1.005","","","","has coordinates","285967","2023-09-02","02:10:47",""
"1569764","10.4207","0.0006","12.7439","0.0007","26.3116","0.0013","90","","93.427","0.002","90","","3487.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H58 Cl4 N8 Ru2 -","- C84 H58 Cl3.9998 N8 Ru2 -","- C168 H116 Cl7.9996 N16 Ru4 -","2","0.5","","Shing, Ka-Pan; Qin, Lin; Wu, Liang-Liang; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(v) terminal arylimido corroles: isolation, spectroscopic characterization and reactivity.","Chemical science","2023","14","38","10602","10609","10.1039/d3sc02266h","","","1.54178","CuKα","","0.0824","0.0727","","","0.1782","0.1858","","","","","","1.101","","","","has coordinates,has disorder","287328","2023-11-06","07:08:09",""
"1569765","11.6532","0.0001","13.3957","0.00011","14.0284","0.00012","90","","90","","90","","2189.87","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0302","0.03","","","0.0813","0.0815","","","","","","1.029","","","","has coordinates","285973","2023-09-04","06:56:54",""
"1569766","5.87366","0.00008","9.56529","0.00013","36.9186","0.0004","90","","90","","90","","2074.21","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 F4 N2 O2 -","- C25 H16 F4 N2 O2 -","- C100 H64 F16 N8 O8 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0513","0.0513","","","0.1078","0.1079","","","","","","1.23","","","","has coordinates","285973","2023-09-04","06:57:06",""
"1569767","7.8355","0.0001","9.0262","0.0001","26.1596","0.0004","90","","90","","90","","1850.13","0.04","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0903","0.0906","","","","","","1.049","","","","has coordinates","285973","2023-09-04","06:57:09",""
"1569768","30.89","0.002","5.5621","0.0003","18.666","0.0012","90","","96.111","0.002","90","","3188.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O Se -","- C19 H17 N O Se -","- C152 H136 N8 O8 Se8 -","8","1","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0359","0.0247","","","0.053","0.057","","","","","","1.03","","","","has coordinates","285985","2023-09-04","14:13:07",""
"1569769","8.271","0.0004","20.2764","0.0011","10.189","0.0005","90","","101.361","0.002","90","","1675.28","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cu N18 O4 Se2 -","- C26 H24 Cu N18 O4 Se2 -","- C52 H48 Cu2 N36 O8 Se4 -","2","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0249","0.02","","","0.0489","0.0513","","","","","","1.047","","","","has coordinates","285986","2023-09-04","14:13:28",""
"1569770","30.1433","0.0006","5.7103","0.0001","18.3935","0.0004","90","","90.456","0.001","90","","3165.92","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu N2 O2 Se2 -","- C38 H32 Cu N2 O2 Se2 -","- C152 H128 Cu4 N8 O8 Se8 -","4","1","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0548","0.038","","","0.0729","0.0801","","","","","","1.022","","","","has coordinates,has disorder","285987","2023-09-04","14:13:50",""
"1569771","9.533","0.0003","10.8335","0.0003","12.517","0.0004","77.904","0.001","73.264","0.001","73.894","0.001","1177.49","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Cu N2 Se2 -","- C24 H22 Cl2 Cu N2 Se2 -","- C48 H44 Cl4 Cu2 N4 Se4 -","2","1","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0614","0.0404","","","0.0853","0.0959","","","","","","1.215","","","","has coordinates","285988","2023-09-04","14:14:17",""
"1569772","7.7872","0.0002","13.1414","0.0004","14.2735","0.0005","90","","100.945","0.001","90","","1434.1","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl4 Cu2 N2 O2 Se2 -","- C24 H22 Cl4 Cu2 N2 O2 Se2 -","- C48 H44 Cl8 Cu4 N4 O4 Se4 -","2","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0252","0.0184","","","0.0391","0.0411","","","","","","1.048","","","","has coordinates","285989","2023-09-04","14:14:48",""
"1569773","27.7943","0.0005","16.036","0.0003","34.0568","0.0006","90","","110.683","0.001","90","","14201.1","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H120 Cl4 Ir4 N8 Na O13 -","- C120 H120 Cl4 Ir4 N8 Na O13 -","- C480 H480 Cl16 Ir16 N32 Na4 O52 -","4","1","","Nguyen, Hieu D.; Jana, Rahul D.; Campbell, Dylan T.; Tran, Thi V.; Do, Loi H.","Lewis acid-driven self-assembly of diiridium macrocyclic catalysts imparts substrate selectivity and glutathione tolerance.","Chemical science","2023","14","37","10264","10272","10.1039/d3sc02836d","","","0.71073","MoKα","","0.1002","0.0493","","","0.1098","0.141","","","","","","1.01","","","","has coordinates","286696","2023-10-05","23:43:24",""
"1569775","13.7083","0.0005","8.65","0.0003","14.1183","0.0005","90","","99.724","0.001","90","","1650.05","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromoethyl)-5,5-diphenylimidazolidine-2,4-dione","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","TK4088","Guerrab, Walid; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-(2-Bromo-eth-yl)-5,5-di-phenyl-imidazolidine-2,4-dione.","IUCrData","2023","8","Pt 1","x230060","","10.1107/S2414314623000603","","","0.71073","MoKα","","0.0715","0.0516","","","0.1555","0.1703","","","","","","1.056","","","","has coordinates","286006","2023-09-05","01:59:31",""
"1569776","5.9685","0.0004","8.9642","0.0006","12.4927","0.0009","94.804","0.006","102.448","0.005","99.356","0.005","639.09","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4,5-Dibromo-3,3,6,6-tetramethyl-2,3,6,7-tetrahydrothiepine-1,1-dione","","- C10 H16 Br2 O2 S -","- C10 H16 Br2 O2 S -","- C20 H32 Br4 O4 S2 -","2","1","BT4132","Schollmeyer, Dieter; Detert, Heiner","(<i>Z</i>)-4,5-Di-bromo-3,3,6,6-tetra-methyl-2,3,6,7-tetra-hydro-thiepine-1,1-dione.","IUCrData","2023","8","Pt 1","x230042","","10.1107/S2414314623000421","","","0.71073","MoKα","","0.0443","0.0362","","","0.0826","0.089","","","","","","1.14","","","","has coordinates","286007","2023-09-05","02:00:17",""
"1569777","8.1119","0.0003","9.5566","0.0003","22.2332","0.0008","90.553","0.003","91.592","0.003","106.047","0.003","1655.5","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[5-(3,5-didodecyloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylpyrazine","","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","1","0.5","BT4131","Joa, Benedikt; Schollmeyer, Dieter; Detert, Heiner","2,5-Bis[5-(3,5-dido-decyl-oxyphen-yl)-1,3,4-oxa-diazol-2-yl]-3,6-di-methyl-pyrazine.","IUCrData","2023","8","Pt 1","x230034","","10.1107/S2414314623000342","","","1.54178","CuKα","","0.0936","0.0504","","","0.1256","0.1432","","","","","","0.942","","","","has coordinates","286008","2023-09-05","02:00:38",""
"1569778","15.9302","0.0008","15.9302","0.0008","6.9779","0.0004","90","","90","","90","","1770.79","0.16","295","2","295","2","","","","","","","","4","I -4","I -4","82","","3-Chloro-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium chloride","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C40 H104 Cl16 N8 -","8","1","HB4422","Bond, Marcus R.; Silwal, Sajan","3-Chloro-<i>N</i>,<i>N</i>-di-methyl-propan-1-aminium chloride.","IUCrData","2023","8","Pt 1","x230015","","10.1107/S2414314623000159","","","0.71073","MoKα","","0.0505","0.0387","","","0.0799","0.0847","","","","","","1.092","","","","has coordinates","286009","2023-09-05","02:00:58",""
"1569779","9.3758","0.0007","4.7862","0.0003","32.764","0.002","90","","96.34","0.003","90","","1461.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxylate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","BT4130","Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W","Methyl 1-[(6-meth-oxy-5-methyl-pyrimidin-4-yl)meth-yl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxyl-ate: a combined X-ray and DFT study.","IUCrData","2023","8","Pt 1","x230025","","10.1107/S2414314623000251","","","0.71073","Mo-Kα","","0.0478","0.0387","","","0.0582","0.0607","","","","","","1.074","","","","has coordinates,has disorder","286010","2023-09-05","02:01:54",""
"1569780","11.0632","0.0003","16.9135","0.0005","13.4178","0.0003","90","","110.442","0.001","90","","2352.6","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-hydroxido-bis[di-<i>tert</i>-butylchloridotin(IV)]","","- C16 H38 Cl2 O2 Sn2 -","- C16 H38 Cl2 O2 Sn2 -","- C64 H152 Cl8 O8 Sn8 -","4","1","TK4087","Reuter, Hans","Redetermination of the crystal structure of di-μ<sub>2</sub>-hydroxido-bis-[di-<i>tert</i>-butyl-chlorido-tin(IV)] at 100 K.","IUCrData","2023","8","Pt 1","x230056","","10.1107/S2414314623000561","","","0.71073","MoKα","","0.0173","0.014","","","0.0329","0.0344","","","","","","1.064","","","","has coordinates","286011","2023-09-05","02:02:33",""
"1569781","13.071","0.003","10.458","0.003","13.358","0.003","90","","90.576","0.019","90","","1825.9","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Brasixanthone B","5,8-Dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-<i>b</i>]xanthen-6-one","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","PK4037","Binti Seruji, Nurr Maria Ulfa; Rosli, Mohd Mustaqim; Jong, Vivien Yi Mian; Karunakaran, Thiruventhan; Lizazman, Mas Atikah; Marlina, Anita; Binti Halid, Yanti Yana","5,8-Dihy-droxy-2,2-dimethyl-12-(3-methyl-but-2-en-yl)pyrano[3,2-<i>b</i>]xanthen-6-one (brasixanthone B).","IUCrData","2023","8","Pt 1","x221198","","10.1107/S2414314622011981","","","0.71073","MoKα","","0.1102","0.0628","","","0.1543","0.1975","","","","","","1.076","","","","has coordinates","286012","2023-09-05","02:03:01",""
"1569782","10.0982","0.0012","8.2447","0.0011","19.365","0.003","90","","98.592","0.012","90","","1594.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)imino]-1,2-diphenylethanone","","- C20 H15 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","HB4414","Ziani, Nouara; Ouarda, Brihi; Kadri, Soumia; Jeanneau, Erwann; Warad, Ismail; Djedouani, Amel","2-[(4-Chloro-phen-yl)imino]-1,2-di-phenyl-ethanone.","IUCrData","2023","8","Pt 1","x230065","","10.1107/S2414314623000652","","","0.71073","MoKα","","0.0931","0.0622","","","0.1492","0.1864","","","","","","1.114","","","","has coordinates","286013","2023-09-05","02:03:48",""
"1569783","4.92171","0.00014","4.92171","0.00014","4.92171","0.00014","90","","90","","90","","119.22","0.006","100","0.1","100","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver(I) fluoride","","- Ag F -","- Ag F -","- Ag4 F4 -","4","0.0208333","WM4179","Lozinšek, Matic; Belak Vivod, Matic; Dragomir, Mirela","Crystal structure reinvestigation of silver(I) fluoride, AgF.","IUCrData","2023","8","Pt 1","x230018","","10.1107/S2414314623000184","","x-ray","0.56087","AgKα","","0.0108","0.0108","","","0.0203","0.0203","","","","","","1.28","","","","has coordinates","286014","2023-09-05","02:04:32",""
"1569784","5.8027","0.0002","7.5404","0.0003","10.1345","0.0004","70.483","0.002","84.15","0.002","84.208","0.003","414.72","0.03","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","alloxazine","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C20 H12 N8 O4 -","2","1","HB4421","Uppu, Rao M.; Fronczek, Frank R.","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione.","IUCrData","2023","8","Pt 1","x221223","","10.1107/S2414314622012238","","","1.54184","CuKα","","0.0698","0.0484","","","0.1319","0.1438","","","","","","1.066","","","","has coordinates","286015","2023-09-05","02:04:55",""
"1569785","10.551","0.003","12.444","0.004","13.804","0.005","95.258","0.01","101.022","0.009","94.954","0.01","1761.5","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane 0.8-solvate","","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C65.6 H79.2 B2 Cl3.2 F8 Ir2 N6 P2 -","2","1","WM4181","Smith, Troy E.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phos-phane)iridium(I) tetra-fluorido-borate di-chloro-methane 0.8-solvate.","IUCrData","2023","8","Pt 1","x230064","","10.1107/S2414314623000640","","","0.71073","MoKα","","0.0358","0.0283","","","0.06","0.0625","","","","","","1.041","","","","has coordinates","286016","2023-09-05","02:05:30",""
"1569786","5.44197","0.00004","13.09134","0.00008","14.36102","0.00009","90","","90","","90","","1023.12","0.012","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aquatrifluoridoboron–1,3-dioxolan-2-one (1/2)","","- C6 H10 B F3 O7 -","- C6 H10 B F3 O7 -","- C24 H40 B4 F12 O28 -","4","1","WM4182","Radan, Kristian; Forero-Saboya, Juan; Ponrouch, Alexandre; Lozinšek, Matic","Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).","IUCrData","2023","8","Pt 1","x230062","","10.1107/S2414314623000627","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.05","0.0503","","","","","","1.038","","","","has coordinates","286017","2023-09-05","02:06:06",""
"1569787","5.967","0.004","4.092","0.003","20.358","0.014","90","","93.08","0.018","90","","496.4","0.6","263","2","263","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(Allyloxy)benzohydrazide","4-(Prop-2-en-1-yloxy)benzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Zangrando, Ennio","4-(All-yloxy)benzohydrazide.","IUCrData","2023","8","Pt 1","x221195","","10.1107/S2414314622011956","","","0.71075","MoKα","","0.0924","0.0807","","","0.2188","0.2276","","","","","","1.046","","","","has coordinates","286018","2023-09-05","02:06:29",""
"1569788","8.23147","0.00011","7.16385","0.00009","9.24494","0.00014","90","","97.8459","0.0013","90","","540.062","0.013","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralone","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C24 H22 F6 O4 -","2","1","WM4178","Motaln, Klemen; Cotman, Andrej Emanuel; Lozinšek, Matic","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Tri-fluoro-1-hy-droxy-eth-yl]-1-tetra-lone.","IUCrData","2023","8","Pt 1","x221209","","10.1107/S2414314622012093","","x-ray","1.54184","CuKα","","0.0218","0.0215","","","0.0557","0.0559","","","","","","1.061","","","","has coordinates","286019","2023-09-05","02:06:55",""
"1569789","9.4279","0.0005","14.3589","0.0007","21.7932","0.0009","90","","100.919","0.002","90","","2896.8","0.2","306","2","306","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Zn(H3qp4)](OTf)","(1-(2,5-dihydroxybenzyl)-8-(2,5-dihydroxybenzylalkoxide)-1,4,8,11-tetraazacyclotetradecane)zinc(II) triflate","","- C25 H35 F3 N4 O7 S Zn -","- C25 H35 F3 N4 O7 S Zn -","- C100 H140 F12 N16 O28 S4 Zn4 -","4","1","","Karbalaei, Sana; Franke, Alicja; Oppelt, Julian; Aziz, Tarfi; Jordan, Aubree; Pokkuluri, P. Raj; Schwartz, Dean D.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","A macrocyclic quinol-containing ligand enables high catalase activity even with a redox-inactive metal at the expense of the ability to mimic superoxide dismutase.","Chemical science","2023","14","36","9910","9922","10.1039/d3sc02398b","","","0.71073","MoKα","","0.0388","0.0318","","","0.0855","0.0915","","","","","","1.036","","","","has coordinates","286708","2023-10-05","23:51:06",""
"1569790","28.848","0.0012","11.2724","0.0003","25.8452","0.001","90","","110.243","0.004","90","","7885.4","0.5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H88 Ag N O6 P2 S4 Ti -","- C82 H88 Ag N O6 P2 S4 Ti -","- C328 H352 Ag4 N4 O24 P8 S16 Ti4 -","4","1","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0969","0.0465","","","0.1125","0.1336","","","","","","1.04","","","","has coordinates,has disorder","286704","2023-10-05","23:45:16",""
"1569791","15.9991","0.0004","15.9991","0.0004","18.5546","0.0012","90","","90","","90","","4749.4","0.4","150","","150","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","","","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C168 H188 Ag8 N4 O20 S16 Ti4 -","2","0.125","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.117","0.1339","","","","","","1.051","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569792","13.4327","0.0004","19.1408","0.0005","19.9855","0.0006","90","","100.461","0.003","90","","5053.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Ag2.6 O11 S8 Ti2 -","- C86 H100 Ag2.5994 O11 S8 Ti2 -","- C172 H200 Ag5.1988 O22 S16 Ti4 -","2","0.5","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0753","0.0553","","","0.1332","0.1397","","","","","","1.064","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"1569793","22.9703","0.0013","15.9803","0.001","36.153","0.003","90","","95.01","0.007","90","","13220.1","1.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H109 Ag2 N3 O12 S8 Ti2 -","- C89 H109 Ag2 N3 O12 S8 Ti2 -","- C356 H436 Ag8 N12 O48 S32 Ti8 -","4","1","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.1518","0.0804","","","0.195","0.2211","","","","","","0.86","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569794","22.273","0.0015","44.47","0.003","38.489","0.003","90","","90","","90","","38123","5","90","2","90","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C441 H508 Ag16 N26 Na2 O109 S32 Ti16 -","- C440.5 H508 Ag16 N26 Na2 O109 S32 Ti16 -","- C881 H1016 Ag32 N52 Na4 O218 S64 Ti32 -","2","0.5","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","","1.34139","GaKα","","0.0969","0.0891","","","0.2203","0.2265","","","","","","1.088","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569795","20.285","0.003","20.285","0.003","20.285","0.003","90","","90","","90","","8347","2","150","","150","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H84 Ag5 Cl2 N6 O32 S6 Tb -","- C30 H60 Ag5 N6 O12 S6 Tb -","- C120 H240 Ag20 N24 O48 S24 Tb4 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1314","0.1209","","","0.2885","0.3019","","","","","","1.122","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569796","20.2017","0.0006","20.2017","0.0006","20.2017","0.0006","90","","90","","90","","8244.5","0.4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H90 Ag5 Cl2 Eu N6 O35 S6 -","- C30 H60 Ag5 Eu N6 O12 S6 -","- C120 H240 Ag20 Eu4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1117","0.0786","","","0.1984","0.2241","","","","","","1.039","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569797","20.2194","0.0005","20.2194","0.0005","20.2194","0.0005","90","","90","","90","","8266.2","0.4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H90 Ag5 Cl2 Gd N6 O35 S6 -","- C30 H60 Ag5 Gd N6 O12 S6 -","- C120 H240 Ag20 Gd4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1034","0.0706","","","0.1804","0.2102","","","","","","1.029","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569798","20.241","0.002","20.241","0.002","20.241","0.002","90","","90","","90","","8292.7","1.4","150","","150","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H82 Ag5 Cl2 N6 O31 S6 Tb -","- C30 H60 Ag5 N6 O12 S6 Tb -","- C120 H240 Ag20 N24 O48 S24 Tb4 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1047","0.0886","","","0.2318","0.2497","","","","","","1.041","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569799","20.2305","0.0007","20.2305","0.0007","20.2305","0.0007","90","","90","","90","","8279.8","0.5","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H108 Ag5 Cl2 Eu N6 O44 S6 -","- C30 H60 Ag5 Eu N6 O12 S6 -","- C120 H240 Ag20 Eu4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1294","0.0759","","","0.1791","0.2266","","","","","","1.021","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569800","20.354","0.005","20.354","0.005","20.354","0.005","90","","90","","90","","8432","4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H84 Ag5 Cl2 Gd N6 O32 S6 -","- C30 H60 Ag5 Gd N6 O12 S6 -","- C120 H240 Ag20 Gd4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1189","0.0845","","","0.2041","0.2171","","","","","","0.937","","","","has coordinates","287364","2023-11-06","07:50:24",""
"1569801","28.298","0.003","14.2503","0.0013","18.839","0.002","90","","105.771","0.005","90","","7310.9","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 N2 O4 S4 -","- C32 H58 N2 O4 S4 -","- C256 H464 N16 O32 S32 -","8","2","","Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki","Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker","Polymer Chemistry","2023","14","37","4344","4351","10.1039/D3PY00808H","","","0.71075","MoKα","","0.1713","0.1553","","","0.3809","0.3884","","","","","","1.118","","","","has coordinates,has disorder","286815","2023-10-06","00:53:47",""
"1569802","28.46","0.002","45.626","0.003","23.4507","0.0017","90","","91.944","0.003","90","","30434","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H52 N2 O4 S4 -","- C29 H52 N2 O4 S4 -","- C1044 H1872 N72 O144 S144 -","36","9","","Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki","Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker","Polymer Chemistry","2023","14","37","4344","4351","10.1039/D3PY00808H","","","0.71075","MoKα","","0.1071","0.0915","","","0.2342","0.2555","","","","","","1.05","","","","has coordinates,has disorder","286815","2023-10-06","00:53:48",""
"1569803","60.5386","0.0009","62.2276","0.001","5.9086","0.0001","90","","90","","90","","22258.7","0.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H31 N2 O7 Zn2 -","- C47 H31 N2 O7 Zn2 -","- C752 H496 N32 O112 Zn32 -","16","1","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.098","0.0866","","","0.2656","0.2826","","","","","","1.01","","","","has coordinates","286223","2023-09-06","03:35:26",""
"1569804","11.4402","0.0004","30.8405","0.001","27.0931","0.0009","90","","96.884","0.002","90","","9490.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H46 N2 O12 Zn3 -","- C74 H46 N2 O12 Zn3 -","- C296 H184 N8 O48 Zn12 -","4","0.5","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.1161","0.062","","","0.1673","0.1845","","","","","","0.994","","","","has coordinates,has disorder","286223","2023-09-06","03:35:26",""
"1569805","16.3093","0.0012","27.4589","0.0019","48.052","0.003","90","","97.288","0.004","90","","21346","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C296 H184 N8 O48 Zn8 -","- C296 H184 N8 O48 Zn8 -","- C592 H368 N16 O96 Zn16 -","2","0.5","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.1939","0.0836","","","0.18","0.2066","","","","","","0.819","","","","has coordinates","286223","2023-09-06","03:35:27",""
"1569806","12.2791","0.0003","12.5594","0.0003","14.265","0.0003","92.774","0.001","115.24","0.001","92.827","0.001","1981.6","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 N2 O12 Zn3 -","- C92 H112 N2 O12 Zn3 -","- C92 H112 N2 O12 Zn3 -","1","0.5","","Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok","Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization","Crystals","2023","13","8","1226","","10.3390/cryst13081226","","","0.71073","MoKα","","0.0988","0.0912","","","0.2742","0.2819","","","","","","1.077","","","","has coordinates,has disorder","286224","2023-09-06","03:36:09",""
"1569807","13.2103","0.0011","13.8734","0.0012","16.6325","0.0013","102.709","0.004","111.677","0.004","92.99","0.005","2733.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H148 Cu3 N6 O14 -","- C124 H148 Cu3 N6 O14 -","- C124 H148 Cu3 N6 O14 -","1","0.5","","Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok","Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization","Crystals","2023","13","8","1226","","10.3390/cryst13081226","","","0.71073","MoKα","","0.1069","0.0616","","","0.1499","0.1716","","","","","","1.06","","","","has coordinates,has disorder","286224","2023-09-06","03:36:09",""
"1569808","14.6614","0.0005","15.9147","0.0006","18.0194","0.0007","90","","90","","90","","4204.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N9 O S2 -","- C16 H17 Cd N9 O S2 -","- C128 H136 Cd8 N72 O8 S16 -","8","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0533","0.0297","","","0.0619","0.075","","","","","","1.099","","","","has coordinates","286225","2023-09-06","03:36:41",""
"1569809","9.323","0.004","10.936","0.005","11.312","0.006","112.637","0.01","104.547","0.011","105.133","0.01","944.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cd Cl N10 O -","- C14 H17 Cd Cl N10 O -","- C28 H34 Cd2 Cl2 N20 O2 -","2","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0411","0.0329","","","0.0872","0.0972","","","","","","1.144","","","","has coordinates","286226","2023-09-06","03:37:03",""
"1569810","9.5129","0.0003","15.13","0.0003","17.615","0.0005","72.469","0.002","83.305","0.002","89.077","0.002","2400.6","0.12","295","9","295","9","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","2","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","1.54184","CuKα","","0.1221","0.0946","","","0.2623","0.3136","","","","","","1.208","","","","has coordinates","286227","2023-09-06","03:37:40",""
"1569811","9.0555","0.0003","39.923","0.0009","12.6015","0.0004","90","","90.376","0.003","90","","4555.6","0.2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C176 H136 Cl16 F48 N24 O24 -","8","2","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.0634","0.0563","","","0.1481","0.1551","","","","","","1.058","","","","has coordinates","286228","2023-09-06","03:38:17",""
"1569812","12.6058","0.0007","20.0622","0.0015","9.0538","0.0005","90","","90","","90","","2289.7","0.2","113.15","","113.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","1","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.083","0.0518","","","0.0866","0.0971","","","","","","1.041","","","","has coordinates","286229","2023-09-06","03:38:40",""
"1569813","15.8313","0.0002","15.8313","0.0002","7.104","0.0001","90","","90","","120","","1541.94","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -","- Al6 B3 Ca0.543 F0.586 H3 Li2.328 Mn0.672 Na0.457 Oi30.3961 Si6 -","- Al18 B9 Ca1.629 F1.758 H9 Li6.984 Mn2.016 Na1.371 Oi91.1883 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.017","0.0166","","","0.0407","0.0409","","","","","","1.121","","","","has coordinates","286230","2023-09-06","03:39:08",""
"1569814","15.8839","0.0002","15.8839","0.0002","7.116","0.0001","90","","90","","120","","1554.82","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 -","- Al6 B3 Ca0.33 F0.5948 H3 Li1.869 Mn1.131 Na0.67 O30.4052 Si6 -","- Al18 B9 Ca0.99 F1.7844 H9 Li5.607 Mn3.393 Na2.01 O91.2156 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0176","0.0175","","","0.0436","0.0437","","","","","","1.129","","","","has coordinates","286231","2023-09-06","03:39:38",""
"1569815","15.8345","0.0002","15.8345","0.0002","7.1039","0.0001","90","","90","","120","","1542.54","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 -","- Al18 B9 Ca2.064 F1.7628 H9 Li7.074 Mn1.926 Na0.936 Oi91.2372 Si18 -","- Al18 B9 Ca2.064 F1.7628 H9 Li7.074 Mn1.926 Na0.936 Oi91.2372 Si18 -","1","0.0555556","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0162","0.0161","","","0.0402","0.0403","","","","","","1.129","","","","has coordinates","286232","2023-09-06","03:40:04",""
"1569816","15.874","0.0003","15.874","0.0003","7.1138","0.0001","90","","90","","120","","1552.41","0.05","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -","- Al6 B3 Ca0.501 F0.5851 H3 Li1.977 Mn1.023 Na0.499 Oi30.415 Si6 -","- Al18 B9 Ca1.503 F1.7553 H9 Li5.931 Mn3.069 Na1.497 Oi91.245 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0168","0.0168","","","0.0421","0.0421","","","","","","1.124","","","","has coordinates","286233","2023-09-06","03:40:32",""
"1569817","10.7987","0.0003","17.7255","0.0004","6.76698","0.00019","90","","90.698","0.003","90","","1295.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 N8 O4 S -","- C7 H14 N8 O4 S -","- C28 H56 N32 O16 S4 -","4","1","","Moskalenko, Ivan V.; Shilovskikh, Vladimir V.; Nesterov, Pavel V.; Novikov, Alexander S.; Omarova, Malika; Sadovnichii, Roman V.; Gurzhiy, Vladislav V.; Orekhov, Nikita D.; Skorb, Ekaterina V.","Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies","Crystals","2023","13","9","1302","","10.3390/cryst13091302","","x-ray","1.54184","CuKα","","0.0453","0.0368","","","0.0989","0.1025","","","","","","1.088","","","","has coordinates","286234","2023-09-06","03:41:14",""
"1569818","10.8915","0.0006","16.5156","0.0006","7.7866","0.0004","90","","104.932","0.004","90","","1353.35","0.12","153","2","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O3 Sb -","- C15 H14 N O3 Sb -","- C60 H56 N4 O12 Sb4 -","4","1","","Knerr, Steven; Böhme, Uwe; Herbig, Marcus","Coordinative Unsaturation in an Antimony(III)-Complex with the 2-Salicylidenaminophenolato Ligand: Synthesis, Crystal Structure, Spectroscopic Analysis, and DFT Studies","Crystals","2023","13","9","1300","","10.3390/cryst13091300","","","0.71073","MoKα","","0.0257","0.0231","","","0.0551","0.0571","","","","","","1.234","","","","has coordinates","286235","2023-09-06","03:41:40",""
"1569819","7.2605","0.0002","14.3218","0.0003","18.004","0.0003","70.891","0.002","86.709","0.002","84.755","0.002","1760.8","0.07","100","0.1","100","0.1","","","","","","","","7","P 1","P 1","1","","","","- C77 H70 F3 N8 O3 Pt2 S -","- C77 H70 F3 N8 O3 Pt2 S -","- C77 H70 F3 N8 O3 Pt2 S -","1","1","","Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng","Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes","Molecules","2023","28","17","6369","","10.3390/molecules28176369","","","0.71073","MoKα","","0.0362","0.0323","","","0.0724","0.074","","","","","","1.053","","","","has coordinates","286236","2023-09-06","13:58:51",""
"1569820","11.8935","0.0003","13.8385","0.0004","17.6968","0.0005","90","","91.266","0.001","90","","2911.97","0.14","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N3 Pt -","- C37 H31 N3 Pt -","- C148 H124 N12 Pt4 -","4","2","","Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng","Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes","Molecules","2023","28","17","6369","","10.3390/molecules28176369","","","0.71073","MoKα","","0.0414","0.0346","","","0.0932","0.097","","","","","","1.045","","","","has coordinates","286237","2023-09-06","13:59:25",""
"1569821","10.619","0.0002","6.0324","0.0001","23.9571","0.0006","90","","95.244","0.002","90","","1528.22","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 I N O2 S -","- C15 H11 F2 I N O2 S -","- C60 H44 F8 I4 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","x-ray","0.71073","MoKα","","0.0222","0.0202","","","0.045","0.0458","","","","","","1.059","","","","has coordinates","286238","2023-09-06","14:00:09",""
"1569822","16.9967","0.0002","8.9025","0.0001","22.2511","0.0003","90","","95.965","0.001","90","","3348.65","0.07","99.99","0.1","99.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Cl F2 I N2 O3 S -","- C13 H13 Cl F2 I N2 O3 S -","- C104 H104 Cl8 F16 I8 N16 O24 S8 -","8","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","x-ray","0.71073","MoKα","","0.0186","0.0177","","","0.0436","0.0439","","","","","","1.069","","","","has coordinates","286239","2023-09-06","14:00:44",""
"1569823","13.1627","0.0002","8.95812","0.00018","14.5445","0.0003","90","","105.584","0.002","90","","1651.94","0.06","100","0.11","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Br Cl F2 N2 O3 S -","- C13 H13 Br Cl F2 N2 O3 S -","- C52 H52 Br4 Cl4 F8 N8 O12 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","0.71073","MoKα","","0.0363","0.034","","","0.0711","0.0721","","","","","","1.171","","","","has coordinates,has disorder","286240","2023-09-06","14:01:09",""
"1569824","8.9617","0.0001","5.8243","0.0001","32.1685","0.0005","90","","90","","90","","1679.06","0.04","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H9 F4 I2 N O2 S -","- C13 H9 F4 I2 N O2 S -","- C52 H36 F16 I8 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0335","0.0328","","","0.0871","0.0876","","","","","","1.085","","","","has coordinates","286241","2023-09-06","14:01:35",""
"1569825","11.4061","0.0003","5.7465","0.0001","18.4124","0.0004","90","","90.479","0.002","90","","1206.8","0.05","100.01","0.1","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F2 I N O2 S -","- C10 H9 F2 I N O2 S -","- C40 H36 F8 I4 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0292","0.0271","","","0.0735","0.0749","","","","","","1.076","","","","has coordinates","286242","2023-09-06","14:01:55",""
"1569826","13.1495","0.0001","8.9685","0.0001","14.6148","0.0001","90","","102.842","0.001","90","","1680.43","0.03","100","0.1","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl F2 I N2 O3 S -","- C13 H13 Cl F2 I N2 O3 S -","- C52 H52 Cl4 F8 I4 N8 O12 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0384","0.038","","","0.0988","0.0992","","","","","","0.997","","","","has coordinates,has disorder","286243","2023-09-06","14:02:26",""
"1569827","5.6059","0.0002","16.1462","0.0004","18.2847","0.0004","90","","93.083","0.002","90","","1652.63","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 F4 I2 N O2 S -","- C13 H9 F4 I2 N O2 S -","- C52 H36 F16 I8 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","x-ray","0.71073","MoKα","","0.0273","0.0225","","","0.0524","0.0545","","","","","","1.036","","","","has coordinates","286244","2023-09-06","14:02:50",""
"1569828","20.514","0.003","9.4966","0.0013","39.416","0.006","90","","104.097","0.005","90","","7447.5","1.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dodecamethoxy[12]cycloparaphenylene","","","- C90 H84 O14 -","- C90 H84 O14 -","- C360 H336 O56 -","4","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.7288","synchrotron","","0.1445","0.1274","","","0.2752","0.282","","","","","","1.062","","","","has coordinates,has disorder","286715","2023-10-05","23:52:16",""
"1569829","11.6451","0.0007","10.9012","0.0006","14.0135","0.0007","90","","109.99","0.003","90","","1671.77","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 O4 Ru2 -","- C38 H38 Cl2 O4 Ru2 -","- C76 H76 Cl4 O8 Ru4 -","2","0.5","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.0525","0.0307","","","0.0582","0.0653","","","","","","1.015","","","","has coordinates","286715","2023-10-05","23:52:17",""
"1569830","19.7037","0.0019","8.3789","0.0008","21.004","0.002","90","","108.289","0.003","90","","3292.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrafluoro[12]cycloparaphenylene","","- C72 H44 F4 -","- C72 H44 F4 -","- C144 H88 F8 -","2","0.5","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.7288","synchrotron","","0.0802","0.0706","","","0.2148","0.224","","","","","","1.033","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1569831","57.683","0.004","12.1111","0.0008","50.915","0.003","90","","90","","90","","35569","4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","tetramethoxy[12]cycloparaphenylene","","","- C78 H57 Cl3 O4 -","- C78 H57 Cl3 O4 -","- C1248 H912 Cl48 O64 -","16","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.18","0.1202","","","0.3064","0.3545","","","","","","1.05","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1569832","8.8558","0.0007","17.2619","0.0011","10.454","0.0008","90","","91.877","0.003","90","","1597.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H28 Br N O4 S -","- C38 H28 Br N O4 S -","- C76 H56 Br2 N2 O8 S2 -","2","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0444","0.0321","","","0.0658","0.071","","","","","","1.041","","","","has coordinates","287312","2023-11-06","06:57:38",""
"1569833","10.022","0.004","11.611","0.005","30.123","0.013","90","","90","","90","","3505","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H28 Cl3 N O4 S2 -","- C37 H28 Cl3 N O4 S2 -","- C148 H112 Cl12 N4 O16 S8 -","4","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0935","0.077","","","0.2148","0.2402","","","","","","1.008","","","","has coordinates","287312","2023-11-06","06:57:41",""
"1569834","26.5817","0.0007","14.4781","0.0002","24.2574","0.0008","90","","115.367","0.003","90","","8435.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H114 Mo9 N3 O34 P -","- C52 H114 Mo9 N3 O34 P -","- C208 H456 Mo36 N12 O136 P4 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0963","0.0798","","","0.202","0.2115","","","","","","1.056","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569835","27.4763","0.0004","21.2915","0.0003","17.3843","0.0003","90","","105.576","0.0015","90","","9796.5","0.3","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H126 Cu Mo9 N5 O39 P3 -","- C66 H126 Cu Mo9 N5 O39 P3 -","- C264 H504 Cu4 Mo36 N20 O156 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0412","0.0381","","","0.1002","0.1024","","","","","","1.058","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569836","27.5817","0.0004","21.2628","0.0003","17.231","0.0003","90","","105.719","0.0018","90","","9727.4","0.3","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C65 H123 Mo9 N4 O37 P3 -","- C65 H123 Mo9 N4 O37 P3 -","- C260 H492 Mo36 N16 O148 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0572","0.0465","","","0.1105","0.1155","","","","","","1.048","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569837","14.2945","0.0002","24.5625","0.0004","29.1153","0.0005","111.653","0.0015","98.3822","0.0014","95.1863","0.0013","9283.5","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H267 Mo18 N10 O72 P6 -","- C120 H267 Mo18 N10 O72 P6 -","- C240 H534 Mo36 N20 O144 P12 -","2","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.1524","0.0775","","","0.1899","0.2217","","","","","","1.05","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569838","10.8046","0.0004","22.285","0.0007","15.2955","0.0004","90","","92.948","0.001","90","","3678","0.2","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DAP","20,21-dimethyl-20,21-dihydro-9H-dibenzo[a,i]benzo[4,5]indolo[3,2-c]benzo[4,5]indolo[2,3-g]carbazole","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wei, Yuefang; Cai, Yaohang; He, Lifei; Zhang, Yuyan; Yuan, Yi; Zhang, Jing; Wang, Peng","Molecular engineering of nitrogen-rich helicene based organic semiconductors for stable perovskite solar cells.","Chemical science","2023","14","37","10285","10296","10.1039/d3sc02845c","","","0.71073","MoKα","","0.0812","0.0591","","","0.1482","0.1678","","","","","","1.022","","","","has coordinates,has disorder","286705","2023-10-05","23:45:28",""
"1569840","9.5728","0.0006","12.9468","0.0009","18.7278","0.001","90","","90","","90","","2321.1","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl N O2 P -","- C21 H35 Cl N O2 P -","- C84 H140 Cl4 N4 O8 P4 -","4","1","","Oya, Ryoto; Ota, Kenji; Fuki, Masaaki; Kobori, Yasuhiro; Higashi, Masahiro; Nagao, Kazunori; Ohmiya, Hirohisa","Biomimetic design of an α-ketoacylphosphonium-based light-activated oxygenation auxiliary.","Chemical science","2023","14","38","10488","10493","10.1039/d3sc03572g","","","0.71075","MoKα","","0.0586","0.0502","","","0.1299","0.135","","","","","","1.046","","","","has coordinates","287326","2023-11-06","07:07:19",""
"1569841","13.9731","0.0005","16.3251","0.0005","37.9097","0.0013","90","","90","","90","","8647.7","0.5","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C344 H504 Cl8 Fe8 N56 O32 -","8","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","0.71073","MoKα","","0.0389","0.0355","","","0.0911","0.0929","","","","","","1.082","","","","has coordinates","287324","2023-11-06","07:04:04",""
"1569842","11.9001","0.0002","19.1517","0.0003","10.5986","0.0001","90","","102.996","0.002","90","","2353.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","- C108 H108 N20 O16 -","4","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","1.54184","CuKα","","0.0704","0.0621","","","0.1674","0.1758","","","","","","1.059","","","","has coordinates","287324","2023-11-06","07:04:06",""
"1569843","9.6155","0.0002","15.4439","0.0004","15.4444","0.0004","90","","93.615","0.001","90","","2288.94","0.1","154","2","154","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 F6 O4 P2 -","- C16 H36 F6 O4 P2 -","- C64 H144 F24 O16 P8 -","4","1","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.063","0.0388","","","0.0794","0.0899","","","","","","1.017","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569844","11.1743","0.0008","23.349","0.002","9.9798","0.0006","90","","90","","90","","2603.8","0.3","143","2","143","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C20 H44 F6 P2 -","- C20 H44 F6 P2 -","- C80 H176 F24 P8 -","4","0.25","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0736","0.0423","","","0.0889","0.1018","","","","","","1.053","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569845","22.679","0.0012","5.6876","0.0003","8.1653","0.0004","90","","99.864","0.005","90","","1037.66","0.09","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H36 Br O4 P -","- C16 H36 Br O4 P -","- C32 H72 Br2 O8 P2 -","2","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0219","0.0205","","","0.0471","0.0479","","","","","","1.045","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569846","23.535","0.004","10.8949","0.0017","9.5632","0.0015","90","","90","","90","","2452.1","0.7","143","2","143","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H44 B F4 P -","- C20 H44 B F4 P -","- C80 H176 B4 F16 P4 -","4","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0907","0.0679","","","0.1367","0.1476","","","","","","1.219","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569847","11.605","0.002","14.647","0.003","13.946","0.003","90","","91.312","0.006","90","","2369.9","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br P -","- C20 H44 Br P -","- C80 H176 Br4 P4 -","4","1","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.1077","0.0598","","","0.1481","0.1779","","","","","","1.028","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569848","15.587","0.002","6.7579","0.001","20.942","0.003","90","","111.614","0.002","90","","2050.8","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-succinato)dicopper(II)]","","- C19 H18 Cu2 N4 O9 -","- C19 H18 Cu2 N4 O9 -","- C76 H72 Cu8 N16 O36 -","4","1","BH4078","Ezenyilimba, Frederick; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-succinato)dicopper(II)], a ribbon-like coordination polymer","IUCrData","2023","8","9","","","10.1107/S2414314623007472","","","0.71073","MoKα","","0.1015","0.0561","","","0.1232","0.1509","","","","","","0.985","","","","has coordinates","286288","2023-09-09","01:47:52",""
"1569849","8.7642","0.0008","10.8653","0.0009","12.6564","0.0011","65.094","0.003","75.354","0.003","76.718","0.003","1047.12","0.16","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(4-acetoxy-<i>N</i>-ethyl-<i>N</i>-<i>n</i>-propyltryptammonium) fumarate–fumaric acid (1/1)","Bis{[2-(4-acetyloxy-1<i>H</i>-indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–(<i>E</i>)-butenedioic acid (1/1)","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","HB4447","Pham, Duyen N. K.; Sackett, Nathan B.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(4-acetoxy-N-ethyl-N-n-propyltryptammonium) fumarate–fumaric acid (1/1)","IUCrData","2023","8","9","","","10.1107/S2414314623007794","","","0.71073","MoKα","","0.0751","0.0561","","","0.1258","0.137","","","","","","1.026","","","","has coordinates,has disorder","286289","2023-09-09","01:48:16",""
"1569850","13.632","0.004","13.632","0.004","17.507","0.006","90","","90","","90","","3253.4","1.8","153","2","153","","","","","","","","","4","I 41","I 4bw","80","","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate","","- C34 H42 N4 O8 -","- C34 H42 N4 O8 -","- C136 H168 N16 O32 -","4","0.5","BH4077","Stapf, Manuel; Schwarzer, Anke","N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate","IUCrData","2023","8","9","","","10.1107/S2414314623007435","","","0.71073","MoKα","","0.0446","0.0395","","","0.1014","0.1067","","","","","","1.053","","","","has coordinates,has disorder","286290","2023-09-09","01:48:41",""
"1569851","8.5016","0.0011","10.1996","0.0016","13.4724","0.0016","104.368","0.001","91.416","0.001","99.03","0.001","1115.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3^1^<i>E</i>,3^2^<i>Z</i>,7^1^<i>E</i>,7^2^<i>Z</i>)-4,8-Bis(3,5-dichlorophenyl)-1^4^,3^3^,5^3^,7^3^-tetrapropyl-1^1^<i>H</i>,3^2^<i>H</i>,5^1^<i>H</i>,7^2^<i>H</i>-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","1","0.5","XU4052","Ishimaru, Yoshihiro; Ikeda, Ryo; Fujihara, Takashi","(31 E,32 Z,71 E,72 Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11 H,32 H,51 H,72 H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","IUCrData","2023","8","9","","","10.1107/S2414314623007666","","","0.71073","MoKα","","0.0454","0.034","","","0.0842","0.0895","","","","","","1.219","","","","has coordinates","286291","2023-09-09","01:48:59",""
"1569852","10.718","0.004","10.933","0.003","11.586","0.003","113.462","0.004","109.626","0.004","96.053","0.004","1127.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-adamantane-1,3-dicarboxylato)aqua[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate]","","- C23 H27 N3 Ni O7 -","- C23 H27 N3 Ni O7 -","- C46 H54 N6 Ni2 O14 -","2","1","","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-dicarboxylato)aqua[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","9","","","10.1107/S2414314623007587","","","0.71073","MoKα","","0.0535","0.0417","","","0.1066","0.1148","","","","","","1.073","","","","has coordinates","286292","2023-09-09","01:49:19",""
"1569853","7.9413","0.0013","10.4614","0.0016","11.3198","0.0018","70.6534","0.0018","87.8784","0.0019","73.9621","0.0018","851.2","0.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dinicotinamide]","","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","1","0.5","","Pumford, Sean R.; LaDuca, Robert L.","catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]","IUCrData","2023","8","9","","","10.1107/S2414314623007642","","","0.71073","MoKα","","0.04","0.0355","","","0.0897","0.0932","","","","","","1.058","","","","has coordinates,has disorder","286293","2023-09-09","01:49:38",""
"1569854","10.68706","0.00009","19.53919","0.00016","19.31983","0.00017","90","","91.7888","0.0007","90","","4032.33","0.06","100.01","0.12","100.01","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(dimethoxyethane)magnesium pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)hydroxidooxidodialuminate","Bis(dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ^3^<i>O</i>,3κ^2^<i>O</i>-μ-hydroxido-1:3κ^2^<i>O</i>-μ~3~-oxido-1:2:3κ^3^<i>O</i>-magnesiumdialuminium","","- C23 H26 Al2 F30 Mg O11 -","- C23 H26 Al2 F30 Mg O11 -","- C92 H104 Al8 F120 Mg4 O44 -","4","1","HB4443","Lozinšek, Matic; Pavčnik, Tjaša; Bitenc, Jan","Bis(dimethoxyethane-1κ2 O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ3 O,3κ2 O-μ-hydroxido-1:3κ2 O-μ3-oxido-1:2:3κ3 O-magnesiumdialuminium","IUCrData","2023","8","9","","","10.1107/S2414314623007162","","x-ray","0.56087","AgKα","","0.046","0.0326","","","0.0843","0.0911","","","","","","1.041","","","","has coordinates","286294","2023-09-09","01:50:25",""
"1569855","10.8467","0.0003","15.6202","0.0004","18.4959","0.0004","65.623","0.002","86.626","0.002","86.202","0.002","2846.36","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C121 H176 N8 P4 -","- C121 H176 N8 P4 -","- C121 H176 N8 P4 -","1","0.5","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0702","0.0488","","","0.1201","0.1307","","","","","","1.03","","","","has coordinates,has disorder","287309","2023-11-06","06:56:09",""
"1569856","12.9163","0.0017","14.6645","0.001","31.89","0.003","90","","100.295","0.013","90","","5943.1","1.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N4 P2 -","- C62 H88 N4 P2 -","- C248 H352 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.087","0.055","","","0.14","0.1557","","","","","","1.041","","","","has coordinates","287309","2023-11-06","06:56:11",""
"1569857","10.7687","0.0005","13.0866","0.0005","36.6199","0.0017","90","","94.36","0.004","90","","5145.7","0.4","151","1","151","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 N4 P2 -","- C56 H78 N4 P2 -","- C224 H312 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0792","0.0519","","","0.1109","0.1186","","","","","","1.014","","","","has coordinates","287309","2023-11-06","06:56:12",""
"1569858","12.1506","0.0007","26.0299","0.0016","21.381","0.0014","90","","93.965","0.003","90","","6746.2","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H197 N8 P4 Si2 -","- C129 H197 N8 P4 Si2 -","- C258 H394 N16 P8 Si4 -","2","0.5","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","","0.71073","MoKα","","0.1343","0.0985","","","0.2662","0.2909","","","","","","1.059","","","","has coordinates,has disorder","287309","2023-11-06","06:56:12",""
"1569859","10.9009","0.0006","20.4655","0.0012","26.2304","0.0011","108.695","0.005","90.684","0.004","97.49","0.005","5486.8","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H78 N4 P2 -","- C56 H78 N4 P2 -","- C224 H312 N16 P8 -","4","2","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.1833","0.0728","","","0.1639","0.203","","","","","","0.949","","","","has coordinates","287309","2023-11-06","06:56:12",""
"1569860","13.8709","0.0009","20.0194","0.0014","23.2162","0.0014","90","","98.502","0.006","90","","6376","0.7","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H87 Au Cl F2 N4 P2 -","- C68 H87 Au Cl F2 N4 P2 -","- C272 H348 Au4 Cl4 F8 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0885","0.0447","","","0.0984","0.1146","","","","","","1.007","","","","has coordinates,has disorder","287309","2023-11-06","06:56:12",""
"1569861","24.1539","0.0005","24.1539","0.0005","20.9231","0.0009","90","","90","","120","","10571.4","0.6","273.15","","273.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C114 H120 Ag12 F18 N18 O24 S6 -","- C114 H120 Ag12 F18 N18 O24 S6 -","- C342 H360 Ag36 F54 N54 O72 S18 -","3","0.166667","","Nakatani, Riki; Biswas, Sourav; Irie, Tsukasa; Sakai, Jin; Hirayama, Daisuke; Kawawaki, Tokuhisa; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","A new two-dimensional luminescent Ag<sub>12</sub> cluster-assembled material and its catalytic activity for reduction of hexacyanoferrate(III).","Nanoscale","2023","15","40","16299","16306","10.1039/d3nr03343k","","","0.71073","MoKα","","0.0441","0.0357","","","0.0888","0.0962","","","","","","1.042","","","","has coordinates,has disorder","287363","2023-11-06","07:49:34",""
"1569862","14.4011","0.0005","8.239","0.0002","8.3208","0.0002","90","","94.932","0.003","90","","983.61","0.05","100","0.8","100","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br4 N2 Pb -","- C10 H28 Br4 N2 Pb -","- C20 H56 Br8 N4 Pb2 -","2","0.5","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","x-ray","0.71073","MoKα","","0.0363","0.0296","","","0.0736","0.0761","","","","","","1.051","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569863","8.016","0.0003","8.4161","0.0004","34.5711","0.0019","90","","90","","90","","2332.29","0.19","300.47","0.1","300.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br4 N2 Pb -","- C14 H28 Br4 N2 Pb -","- C56 H112 Br16 N8 Pb4 -","4","1","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","","0.71073","MoKα","","0.0606","0.0458","","","0.1048","0.1099","","","","","","1.051","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569864","8.0152","0.0003","8.4073","0.0003","34.575","0.0015","90","","90","","90","","2329.88","0.16","300.4","0.1","300.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br4 N2 Pb -","- C14 H28 Br4 N2 Pb -","- C56 H112 Br16 N8 Pb4 -","4","1","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","","0.71073","MoKα","","0.0597","0.046","","","0.111","0.1172","","","","","","1.107","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569865","6.5733","0.0002","8.0601","0.0002","15.828","0.0004","95.442","0.002","99.527","0.002","90.36","0.002","823.09","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","Benzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","(<i>Z</i>)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C34 H30 N6 O2 S4 -","2","1","HB4449","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.; Mohammat, Mohd Fazli; Mohd Aluwi, Mohd Fadhlizil Fasihi; Jumali, Nor Saliyana","(Z)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","IUCrData","2023","8","9","","","10.1107/S2414314623007824","","x-ray","1.54184","CuKα","","0.0369","0.0344","","","0.095","0.0968","","","","","","1.073","","","","has coordinates","286319","2023-09-13","01:54:51",""
"1569866","5.7234","0.0001","11.2961","0.0001","12.6591","0.0002","90","","98.82","0.001","90","","808.76","0.02","299.7","0.1","299.7","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","1","HB4444","Artis, Rylan; Padgett, Clifford W.; Quillian, Brandon","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","IUCrData","2023","8","9","","","10.1107/S2414314623007903","","x-ray","1.54184","CuKα","","0.036","0.0329","","","0.0977","0.1002","","","","","","1.089","","","","has coordinates,has disorder","286320","2023-09-13","01:55:24",""
"1569867","7.2107","0.0008","10.2179","0.0013","20.863","0.003","90","","90.562","0.004","90","","1537.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,4-Dichlorobenzylidene)[2-(1<i>H</i>-indol-3-yl)ethyl]amine","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","HB4446","Murugan, Suganya; Paul, Anaglit Catherine; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","(2,4-Dichlorobenzylidene)[2-(1H-indol-3-yl)ethyl]amine","IUCrData","2023","8","9","","","10.1107/S2414314623007800","","","0.71073","MoKα","","0.1223","0.0482","","","0.1054","0.1344","","","","","","1.007","","","","has coordinates","286321","2023-09-13","01:55:52",""
"1569868","5.2532","0.0003","5.2532","0.0003","22.6462","0.0016","90","","90","","90","","624.95","0.07","120.02","","120.02","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C5 H4 N O3 W -","- C5 H4 N O3 W -","- C20 H16 N4 O12 W4 -","4","0.125","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.016","0.0128","","","0.0323","0.0327","","","","","","1.229","","","","has coordinates","287307","2023-11-06","06:51:14",""
"1569869","5.2479","0.0007","5.2479","0.0007","14.143","0.003","90","","90","","90","","389.5","0.11","120","","120","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C2 H2 Mo N O3 -","- C2 H2 Mo N O3 -","- C8 H8 Mo4 N4 O12 -","4","0.125","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0185","0.0181","","","0.0556","0.0559","","","","","","1.39","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569870","7.522","0.003","7.375","0.003","25.795","0.011","90","","90","","90","","1431","1","120.01","","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Mo N2 O3 -","- C5 H4 Mo N2 O3 -","- C40 H32 Mo8 N16 O24 -","8","1","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0969","0.0814","","","0.1693","0.1753","","","","","","1.211","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569871","9.3698","0.0001","42.8233","0.0003","10.2352","0.0001","90","","103.371","0.001","90","","3995.51","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 B O P -","- C45 H62 B O P -","- C180 H248 B4 O4 P4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0257","0.023","","","0.0545","0.0557","","","","","","1.0991","","","","has coordinates","287325","2023-11-06","07:06:47",""
"1569872","21.8427","0.0002","10.7386","0.0001","22.3596","0.0002","90","","99.87","0.001","90","","5167.04","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H79 B N2 -","- C59 H79 B N2 -","- C236 H316 B4 N8 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0513","0.0498","","","0.1368","0.1381","","","","","","1.014","","","","has coordinates,has disorder","287325","2023-11-06","07:06:49",""
"1569873","13.0778","0.0001","16.2591","0.0001","18.6511","0.0002","90","","109.678","0.001","90","","3734.24","0.06","149.99","0.11","149.99","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 B O -","- C44 H57 B O -","- C176 H228 B4 O4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0173","0.0158","","","0.0343","0.0349","","","","","","1.1036","","","","has coordinates","287325","2023-11-06","07:06:59",""
"1569874","10.8013","0.0006","11.3081","0.0007","12.0889","0.0007","84.885","0.002","74.87","0.002","72.103","0.002","1356.34","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C64 H80 N4 O4 -","2","1","","Luo, Xiao; Zhang, Zhonghui; Wang, Jie; Wang, Xueli; Zhang, Yani; Chen, Jinquan; Ge, Guangbo; Yang, Wen; Qian, Xuhong; Tian, Yang; Yang, Youjun","Acyl-caged rhodamines: photo-controlled and self-calibrated generation of acetyl radicals for neural function recovery in early AD mice.","Chemical science","2023","14","42","11689","11698","10.1039/d3sc03035k","","","0.71073","MoKα","","0.0569","0.0494","","","0.1293","0.1363","","","","","","1.038","","","","has coordinates,has disorder","287301","2023-11-06","06:47:46",""
"1569875","7.6372","0.0005","9.3281","0.0006","18.7886","0.0012","84.927","0.002","82.985","0.002","69.699","0.002","1244.44","0.14","298","","298","","","","","","","","","4","P -1","-P 1","2","","lji","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C58 H68 N4 O4 -","2","1","","Luo, Xiao; Zhang, Zhonghui; Wang, Jie; Wang, Xueli; Zhang, Yani; Chen, Jinquan; Ge, Guangbo; Yang, Wen; Qian, Xuhong; Tian, Yang; Yang, Youjun","Acyl-caged rhodamines: photo-controlled and self-calibrated generation of acetyl radicals for neural function recovery in early AD mice.","Chemical science","2023","14","42","11689","11698","10.1039/d3sc03035k","","","0.71073","MoKα","","0.2011","0.109","","","0.2096","0.244","","","","","","1.134","","","","has coordinates","287301","2023-11-06","06:47:52",""
"1569876","19.1013","0.0006","11.5155","0.0003","19.3079","0.0006","90","","105.893","0.001","90","","4084.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 F18 N4 O2 Si -","- C43 H30 F18 N4 O2 Si -","- C172 H120 F72 N16 O8 Si4 -","4","1","","Thorwart, Thaddäus; Greb, Lutz","Reversible C-H bond silylation with a neutral silicon Lewis acid.","Chemical science","2023","14","40","11237","11242","10.1039/d3sc03488g","","","0.71073","MoKα","","0.0456","0.0425","","","0.1074","0.1099","","","","","","1.027","","","","has coordinates","287316","2023-11-06","06:59:44",""
"1569877","10.3174","0.0004","18.845","0.0007","10.3316","0.0004","90","","103.056","0.007","90","","1956.86","0.14","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0433","0.0406","","","0.1064","0.1085","","","","","","1.044","","","","has coordinates","287311","2023-11-06","06:56:50",""
"1569878","11.2867","0.0014","7.6954","0.0009","11.8213","0.0014","90","","98.725","0.007","90","","1014.9","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.1934","0.0904","","","0.2204","0.273","","","","","","0.991","","","","has coordinates","287311","2023-11-06","06:56:53",""
"1569879","10.1061","0.0011","14.109","0.0014","14.8443","0.0015","85.453","0.006","83.081","0.006","74.047","0.005","2017.9","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H27 Cl3 F12 N2 O2 -","- C45 H27 Cl3 F12 N2 O2 -","- C90 H54 Cl6 F24 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","","0.1132","","","","0.3232","","","","","","1.001","","","","has coordinates","287311","2023-11-06","06:56:56",""
"1569880","9.0396","0.0015","21.882","0.004","10.4133","0.0018","90","","97.221","0.004","90","","2043.5","0.6","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","0.71075","MoKα","","0.0706","0.0524","","","0.1122","0.1152","","","","","","0.824","","","","has coordinates","287311","2023-11-06","06:57:00",""
"1569881","21.2877","0.0005","9.84","0.0002","27.3069","0.0006","90","","90","","90","","5720","0.2","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H70 N4 O4 Rh2 -","- C72 H70 N4 O4 Rh2 -","- C288 H280 N16 O16 Rh8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0728","0.057","","","0.1241","0.1341","","","","","","1.029","","","","has coordinates","287311","2023-11-06","06:57:03",""
"1569882","17.6227","0.0004","18.3009","0.0004","18.5577","0.0004","90","","90","","90","","5985.1","0.2","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H37 N2 O2 Rh -","- C37 H37 N2 O2 Rh -","- C296 H296 N16 O16 Rh8 -","8","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0632","0.0511","","","0.1171","0.1233","","","","","","1.115","","","","has coordinates","287311","2023-11-06","06:57:13",""
"1569883","8.1283","0.0002","21.3822","0.0007","8.6376","0.0002","90","","101.713","0.003","90","","1469.96","0.07","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C42 H84 Br6 N18 -","6","1.5","HB4448","Maynard, Aaron; Keller, Taylor M.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","IUCrData","2023","8","9","","","10.1107/S2414314623007848","","x-ray","0.71073","MoKα","","0.0314","0.0224","","","0.0494","0.0516","","","","","","1.038","","","","has coordinates,has disorder","286353","2023-09-15","01:55:43",""
"1569884","21.1424","0.0006","46.1033","0.0015","21.8744","0.0007","90","","96.53","0.001","90","","21183.4","1.1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C200 H180 Au28 -","- C200 H180 Au28 -","- C800 H720 Au112 -","4","1","","Tang, Shisi; Liu, Haoqi; Song, Tongxin; Cai, Xiao; Liu, Xu; Ding, Weiping; Zhu, Yan","Aromatic alkyne-protected Au28 nanoclusters for electrocatalytic ethanol oxidation","Catalysis Science & Technology","2023","13","20","5821","5824","10.1039/D3CY00889D","","x-ray","0.71073","MoKα","","0.0822","0.0502","","","0.1216","0.136","","","","","","1.046","","","","has coordinates,has disorder","287287","2023-11-06","06:16:22",""
"1569885","11.4854","0.0008","9.3738","0.0006","12.6139","0.001","90","","99.83","0.003","90","","1338.1","0.17","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cu N8 O11 -","- C4 H10 Cu N8 O11 -","- C16 H40 Cu4 N32 O44 -","4","1","","Liu, Wei; Feng, Yongan; Yao, Yapeng; Liang, Zihang; Xiao, Fei; Ma, Zhongliang","<i>In situ</i> synthesis of [Cu(BODN)·5H<sub>2</sub>O]<sub><i>n</i></sub>@nano-Al composite energetic films with tunable properties in pyro-MEMS.","Lab on a chip","2023","23","20","4493","4503","10.1039/d3lc00282a","","","0.71073","MoKα","","0.0613","0.0387","","","0.0677","0.0774","","","","","","1.096","","","","has coordinates","287362","2023-11-06","07:46:41",""
"1569886","6.158","0.004","10.149","0.007","11.482","0.007","76.503","0.017","79.869","0.018","89.31","0.02","686.6","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","(1R,2R,3R,4R,5R)-trimethyl bicyclo[2.2.2]oct-7-ene-2,3,5-tricarboxylate","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","","0.71073","MoKα","","0.1887","0.1463","","","0.3893","0.4118","","","","","","1.163","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569887","18.177","0.004","7.3979","0.0015","13.815","0.003","90","","102.03","0.03","90","","1816.9","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl2 Fe N6 -","- C12 H28 Cl2 Fe N6 -","- C48 H112 Cl8 Fe4 N24 -","4","0.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0393","0.0239","","","0.0532","0.0549","","","","","","0.938","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569888","8.7832","0.0018","11.895","0.002","15.221","0.003","90","","90","","90","","1590.2","0.5","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 Fe N4 -","- C12 H20 Cl2 Fe N4 -","- C48 H80 Cl8 Fe4 N16 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","1.54186","CuKα","","0.0376","0.037","","","0.1016","0.102","","","","","","1.074","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569889","9.3007","0.0019","9.83","0.002","12.49","0.003","69.47","0.03","87.94","0.03","65.38","0.03","964","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H30 Cl2 Fe N6 -","- C13 H30 Cl2 Fe N6 -","- C26 H60 Cl4 Fe2 N12 -","2","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0417","0.0265","","","0.0634","0.0657","","","","","","0.963","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569890","17.306","0.004","9.454","0.0019","36.444","0.011","90","","97.32","0.03","90","","5914","3","100","2","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H24 Cl2 Fe N6 -","- C16 H24 Cl2 Fe N6 -","- C192 H288 Cl24 Fe12 N72 -","12","1.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0872","0.0648","","","0.18","0.1933","","","","","","1.025","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569891","12.769","0.003","13.649","0.003","15.343","0.003","90","","90","","90","","2674","1","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl2 Fe N8 -","- C22 H36 Cl2 Fe N8 -","- C88 H144 Cl8 Fe4 N32 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0719","0.0454","","","0.0886","0.0931","","","","","","0.933","","","","has coordinates,has disorder","287289","2023-11-06","06:17:25",""
"1569892","15.712","0.003","9.29","0.0019","16.52","0.003","90","","116.37","0.03","90","","2160.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 Fe N6 -","- C20 H26 Cl2 Fe N6 -","- C80 H104 Cl8 Fe4 N24 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0508","0.0359","","","0.0891","0.094","","","","","","1.057","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569893","12.011","0.002","10.508","0.002","16.725","0.003","90","","106.09","0.03","90","","2028.2","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Fe N6 -","- C16 H28 Cl2 Fe N6 -","- C64 H112 Cl8 Fe4 N24 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0363","0.0303","","","0.0669","0.0704","","","","","","1.111","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569894","9.4322","0.0004","11.3669","0.0004","16.0822","0.0007","90","","106","0.004","90","","1657.46","0.12","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O10 Zn -","- C14 H16 N2 O10 Zn -","- C56 H64 N8 O40 Zn4 -","4","1","ED5029","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","x-ray","0.71073","MoKα","","0.0704","0.0519","","","0.1173","0.126","","","","","","1.104","","","","has coordinates","286397","2023-09-19","01:47:59",""
"1569895","10.2539","0.0005","10.2539","0.0005","30.4058","0.0015","90","","90","","90","","3196.9","0.3","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 Co N2 O10 -","- C14 H16 Co N2 O10 -","- C112 H128 Co8 N16 O80 -","8","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","1.34139","GaKα","","0.0306","0.0297","","","0.0948","0.096","","","","","","0.858","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569896","8.5332","0.0002","9.6081","0.0002","14.1363","0.0003","95.32","0.001","97.103","0.001","104.473","0.001","1104.36","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O7 Zn -","- C24 H18 N4 O7 Zn -","- C48 H36 N8 O14 Zn2 -","2","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","0.71073","MoKα","","0.0349","0.0311","","","0.1086","0.1145","","","","","","0.923","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569897","7.7901","0.0004","10.0895","0.0007","15.5233","0.0008","94.751","0.002","101.411","0.002","107.809","0.002","1125.17","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co N4 O8 -","- C24 H20 Co N4 O8 -","- C48 H40 Co2 N8 O16 -","2","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","0.71073","MoKα","","0.0413","0.0347","","","0.1121","0.1209","","","","","","0.866","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569898","7.2074","0.0004","16.8579","0.0007","18.3599","0.0007","90","","100.371","0.002","90","","2194.31","0.17","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cu N4 O7 -","- C24 H18 Cu N4 O7 -","- C96 H72 Cu4 N16 O28 -","4","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","0.71073","MoKα","","0.0692","0.0472","","","0.0956","0.1042","","","","","","1.065","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569899","12.02","0.002","11.953","0.002","14.174","0.003","90","","103.163","0.007","90","","1982.9","0.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","- C96 H72 N16 O24 -","4","0.5","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","x-ray","0.71073","MoKα","","0.0507","0.046","","","0.1249","0.1294","","","","","","1.074","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1569900","14.1895","0.001","14.8309","0.0009","22.402","0.0015","90","","92.676","0.006","90","","4709.2","0.5","113.15","","113.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H48 N8 O14 Zn -","- C50 H48 N8 O14 Zn -","- C200 H192 N32 O56 Zn4 -","4","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","x-ray","0.71073","MoKα","","0.1433","0.0647","","","0.1039","0.1312","","","","","","1.002","","","","has coordinates","286397","2023-09-19","01:48:01",""
"1569903","11.1245","0.0004","10.5529","0.0003","13.5415","0.0005","90","","107.914","0.002","90","","1512.64","0.09","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N2 O3 -","- C39 H28 N2 O3 -","- C78 H56 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","1.54178","CuKα","","0.0355","0.0318","","","0.0838","0.0866","","","","","","1.04","","","","has coordinates","287308","2023-11-06","06:51:33",""
"1569904","32.1431","0.0008","7.189","0.0002","11.8007","0.0003","90","","98.963","0.002","90","","2693.57","0.12","302","2","302","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H44 N2 O8 S2 -","- C58 H44 N2 O8 S2 -","- C116 H88 N4 O16 S4 -","2","0.5","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0554","0.0425","","","0.1046","0.1151","","","","","","1.066","","","","has coordinates","287308","2023-11-06","06:51:36",""
"1569905","13.2537","0.0004","8.0062","0.0002","15.7406","0.0005","90","","94.626","0.001","90","","1664.82","0.08","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H25 Cl3 N2 O4 -","- C37 H25 Cl3 N2 O4 -","- C74 H50 Cl6 N4 O8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.1003","0.0667","","","0.1763","0.2034","","","","","","1.036","","","","has coordinates","287308","2023-11-06","06:51:46",""
"1569906","10.1003","0.0004","15.1715","0.0005","13.9176","0.0005","90","","101.792","0.002","90","","2087.68","0.13","184","2","184","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 N4 O8 S4 -","- C40 H38.424 N4 O8 S4 -","- C80 H76.848 N8 O16 S8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0789","0.0537","","","0.1156","0.1273","","","","","","1.03","","","","has coordinates,has disorder","287308","2023-11-06","06:51:48",""
"1569907","10.038","0.0005","12.1514","0.0006","12.3554","0.0007","77.395","0.002","67.131","0.002","85.909","0.002","1354.98","0.12","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 F3 N2 O3 -","- C34 H23 F3 N2 O3 -","- C68 H46 F6 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0971","0.0525","","","0.1142","0.1319","","","","","","1.03","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569908","9.253","0.0005","9.3566","0.0005","9.9037","0.0006","106.668","0.002","101.698","0.002","117.979","0.002","665.24","0.07","302","2","302","","","","","","","","","6","P 1","P 1","1","","","","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","1","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0504","0.0386","","","0.0881","0.0941","","","","","","1.038","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569909","19.8544","0.0009","19.8544","0.0009","16.6635","0.0011","90","","90","","120","","5688.7","0.5","170","","170","","","","","","","","","3","P -3","-P 3","147","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C312 H216 N24 -","8","1.33333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","1.34139","GaKα","","0.151","0.0927","","","0.2314","0.263","","","","","","1.024","","","","has coordinates","288812","2024-01-06","08:18:03",""
"1569910","18.0704","0.0006","18.0704","0.0006","16.2498","0.0007","90","","90","","120","","4595.3","0.3","170","","170","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C234 H162 N18 -","6","0.333333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1229","0.1302","","","","","","1.058","","","","has coordinates","288812","2024-01-06","08:18:04",""
"1569911","13.117","0.0003","53.4561","0.0012","12.9832","0.0003","90","","113.512","0.001","90","","8347.8","0.3","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 N3 -","- C54 H57 N3 -","- C432 H456 N24 -","8","2","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.1043","0.0815","","","0.2194","0.2416","","","","","","1.021","","","","has coordinates,has disorder","288812","2024-01-06","08:18:04",""
"1569912","15.5976","0.0013","17.2486","0.0014","19.3869","0.0016","90","","90","","90","","5215.8","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H80 Li2 O7 -","- C60 H80 Li2 O7 -","- C240 H320 Li8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0581","0.0502","","","0.1397","0.1425","","","","","","1.081","","","","has coordinates,has disorder","288757","2024-01-06","07:28:11",""
"1569913","8.8122","0.0003","26.5491","0.0008","20.9892","0.0007","90","","92.896","0.001","90","","4904.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Na2 O6 -","- C56 H72 Na2 O6 -","- C224 H288 Na8 O24 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0809","0.0575","","","0.1456","0.1609","","","","","","1.018","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569914","17.8448","0.0005","16.1337","0.0004","18.5018","0.0005","90","","90.328","0.001","90","","5326.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 Na2 O7 -","- C60 H80 Na2 O7 -","- C240 H320 Na8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0537","0.0396","","","0.1146","0.1252","","","","","","1.038","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569915","12.0087","0.0015","12.8316","0.0016","19.699","0.003","89.457","0.002","89.629","0.001","76.211","0.002","2947.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H88 Li4 O8 -","- C64 H88 Li4 O8 -","- C128 H176 Li8 O16 -","2","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.1205","0.0889","","","0.2372","0.2628","","","","","","1.047","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569916","21.9901","0.0008","18.2207","0.0006","20.0657","0.0007","90","","114.112","0.001","90","","7338.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.31 H111.31 K2 N4 O13.31 -","- C75.308 H111.308 K2 N4 O13.308 -","- C301.232 H445.232 K8 N16 O53.232 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0619","0.0471","","","0.1339","0.1426","","","","","","1.063","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569917","12.0529","0.0008","15.8788","0.0011","20.3203","0.0014","87.647","0.002","76.921","0.001","74.718","0.001","3653.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H112 Na2 O17 -","- C72 H104 Na2 O16 -","- C144 H208 Na4 O32 -","2","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.1146","0.0875","","","0.2529","0.2846","","","","","","1.04","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569918","18.7021","0.0011","34.941","0.002","26.6821","0.0018","90","","104.779","0.003","90","","16859.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.08 H27.08 Cl9.23 N2 O4 -","- C43.0765 H27.0765 Cl9.2295 N2 O4 -","- C689.224 H433.224 Cl147.672 N32 O64 -","16","2","","Spengler, Jonas; Zhu, Chongwei; Shoyama, Kazutaka; Würthner, Frank","π-Extended benzo[1,2:4,5]di[7]annulene bis(dicarboximide)s - a new class of non-alternant polycyclic aromatic dicarboximides.","Chemical science","2023","14","39","10861","10866","10.1039/d3sc04015a","","","1.54178","CuKα","","0.0985","0.0796","","","0.2103","0.2312","","","","","","1.023","","","","has coordinates,has disorder","287310","2023-11-06","06:56:28",""
"1569919","5.8154","0.0007","17.4","0.002","23.776","0.003","90","","90","","90","","2405.8","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Br2 N2 O2 S -","- C26 H24 Br2 N2 O2 S -","- C104 H96 Br8 N8 O8 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0661","0.0472","","","0.1101","0.1185","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569920","6.0455","0.0001","15.2328","0.0003","25.3404","0.0005","90","","90","","90","","2333.59","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","","1.54178","CuKα","","0.0406","0.0366","","","0.0922","0.0954","","","","","","1.047","","","","has coordinates,has disorder","287306","2023-11-06","06:51:02",""
"1569921","8.0066","0.0003","14.474","0.0006","19.8606","0.0008","90","","90","","90","","2301.6","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 F6 N O3 S -","- C25 H17 F6 N O3 S -","- C100 H68 F24 N4 O12 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0324","0.0298","","","0.07","0.0717","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569922","14.97514","0.00011","11.89935","0.00009","19.33172","0.00015","90","","98.9295","0.0007","90","","3403.05","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Cl2 N O Ru -","- C37 H49 Cl2 N O Ru -","- C148 H196 Cl8 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Grela, Karol; Kajetanowicz, Anna","A tunable family of CAAC-ruthenium olefin metathesis catalysts modularly derived from a large-scale produced ibuprofen intermediate.","Chemical science","2023","14","39","10744","10755","10.1039/d3sc03849a","","x-ray","1.54184","CuKα","","0.0313","0.0302","","","0.0762","0.077","","","","","","1.032","","","","has coordinates","287315","2023-11-06","06:58:41",""
"1569923","9.86","0.002","9.92","0.002","18.12","0.004","81.9","0.03","84.7","0.03","67.4","0.03","1618.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 Cl2 Ga N P Si -","- C31 H43 Cl2 Ga N P Si -","- C62 H86 Cl4 Ga2 N2 P2 Si2 -","2","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0444","0.0346","","","0.0929","0.097","","","","","","1.074","","","","has coordinates","287318","2023-11-06","07:01:00",""
"1569924","10.009","0.002","10.011","0.002","18.111","0.004","85.2","0.03","82.22","0.03","67.29","0.03","1657.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Ga N P Si -","- C33 H49 Ga N P Si -","- C66 H98 Ga2 N2 P2 Si2 -","2","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0404","0.0295","","","0.0727","0.0765","","","","","","1.032","","","","has coordinates","287318","2023-11-06","07:01:03",""
"1569925","23.09","0.005","27.34","0.006","22.52","0.005","90","","111.9","0.03","90","","13191","6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C128 H182 Cl4 Ga4 N4 O P4 Si4 -","- C128 H182 Cl4 Ga4 N4 O P4 Si4 -","- C512 H728 Cl16 Ga16 N16 O4 P16 Si16 -","4","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1432","0.0523","","","0.1012","0.123","","","","","","0.877","","","","has coordinates","287318","2023-11-06","07:01:12",""
"1569926","15.714","0.003","22.937","0.005","20.691","0.004","90","","90","","90","","7458","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C248 H344 Cl8 Ga8 N8 P8 Pd4 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0485","0.0354","","","0.0886","0.094","","","","","","1.06","","","","has coordinates","287318","2023-11-06","07:01:14",""
"1569927","15.629","0.003","22.82","0.005","20.425","0.004","90","","90","","90","","7285","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C284 H424 Cl8 Ga8 N8 Ni4 P8 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1045","0.0489","","","0.1192","0.1382","","","","","","0.971","","","","has coordinates","287318","2023-11-06","07:01:15",""
"1569928","25.06","0.005","15.84","0.003","39.86","0.008","90","","106.5","0.03","90","","15171","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H98 Ga2 N2 Ni2 P2 Si2 -","- C70 H98 Ga2 N2 Ni2 P2 Si2 -","- C560 H784 Ga16 N16 Ni16 P16 Si16 -","8","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0555","0.0357","","","0.0928","0.1006","","","","","","0.97","","","","has coordinates","287318","2023-11-06","07:01:15",""
"1569929","9.12559","0.00016","9.43073","0.00017","14.8426","0.0003","90","","90","","90","","1277.37","0.04","170","0.2","170","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5R,7R)-eremophila-3,4-epoxy-1(10),11-dien-2-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang","Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.","Food & function","2023","14","21","9755","9766","10.1039/d3fo01221b","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0856","0.0872","","","","","","1.037","","","","has coordinates","287351","2023-11-06","07:41:21",""
"1569930","8.1552","0.0006","20.429","0.002","27.192","0.003","90","","90","","90","","4530.3","0.7","150.15","","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4R,5S,7S,9R)-eremophila-1(10),11-dien-2,9-diol","","- C46 H76 O7 -","- C46 H76 O7 -","- C184 H304 O28 -","4","1","","Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang","Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.","Food & function","2023","14","21","9755","9766","10.1039/d3fo01221b","","","1.54184","CuKα","","0.1099","0.0726","","","0.16","0.1909","","","","","","1.005","","","","has coordinates","287351","2023-11-06","07:41:21",""
"1569931","17.282","0.003","16.324","0.003","12.698","0.004","90","","131.754","0.002","90","","2672.4","1.1","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","","- C26 H32 N4 Ni O6 -","- C26 H32 N4 Ni O6 -","- C104 H128 N16 Ni4 O24 -","4","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","IUCrData","2023","8","9","","","10.1107/S2414314623007885","","","0.71073","MoKα","","0.0711","0.0571","","","0.1352","0.1489","","","","","","1.047","","","","has coordinates","286485","2023-09-23","02:01:01",""
"1569932","3.73339","0.00004","6.97307","0.00005","12.87327","0.00009","90","","97.1579","0.0008","90","","332.52","0.005","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitrobenzonitrile","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C14 H8 N4 O4 -","2","1","HB4451","Virant, Miha; Siljanovska, Ana; Cerkovnik, Janez; Lozinšek, Matic","3-Nitrobenzonitrile","IUCrData","2023","8","9","","","10.1107/S2414314623008143","","x-ray","1.54184","CuKα","","0.0242","0.0241","","","0.0689","0.069","","","","","","1.089","","","","has coordinates","286486","2023-09-23","02:01:23",""
"1569933","9.7753","0.0007","11.2349","0.0008","12.6422","0.0009","90.946","0.001","111.5","0.001","94.586","0.001","1286.11","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ^2^<i>N</i>:<i>N</i>'][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>^2^]zinc(II)] 2.5 hydrate]","","- C26 H27 N4 O8.5 Zn -","- C26 H27 N4 O8.5 Zn -","- C52 H54 N8 O17 Zn2 -","2","1","","Glatz, Erika J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ2 N:N′][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ2 O:O 2]zinc(II)] 2.5 hydrate]: a tri-periodic coordination polymer with a dimer-based six-connected pcu topology","IUCrData","2023","8","9","","","10.1107/S2414314623008118","","","0.71073","MoKα","","0.0498","0.0417","","","0.103","0.1094","","","","","","1.046","","","","has coordinates,has disorder","286487","2023-09-23","02:01:45",""
"1569934","20.833","0.004","9.6413","0.0015","15.654","0.003","90","","136.283","0.01","90","","2173","0.8","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-κ<i>O</i>)chromium(II)](<i>Cr</i>—<i>Cr</i>)","","- C16 H28 Cr2 O10 -","- C16 H28 Cr2 O10 -","- C64 H112 Cr8 O40 -","4","0.5","WM4196","Heiser, Christian; Merzweiler, Kurt","Tetrakis(μ-acetato-κ2 O:O′)bis[(tetrahydrofuran-κO)chromium(II)]","IUCrData","2023","8","9","","","10.1107/S2414314623008015","","x-ray","0.71073","MoKα","","0.0315","0.0284","","","0.0825","0.0844","","","","","","1.056","","","","has coordinates","286488","2023-09-23","02:02:07",""
"1569935","8.4267","0.0019","14.084","0.003","10.9","0.002","90","","91.953","0.008","90","","1292.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","4-Amino-3,5-dichloropyridinium 3-hydroxypyridine-2-carboxylate monohydrate","","- C11 H11 Cl2 N3 O4 -","- C11 H11 Cl2 N3 O4 -","- C44 H44 Cl8 N12 O16 -","4","1","HB4452","Ashokan, Agalya; Nehru, Jayasudha; Chakkarapani, Nandhini; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","IUCrData","2023","8","9","","","10.1107/S2414314623008210","","","0.71073","MoKα","","0.0403","0.0334","","","0.0864","0.0905","","","","","","1.03","","","","has coordinates","286489","2023-09-23","02:02:29",""
"1569936","25.288","0.003","27.896","0.004","41.288","0.002","90.71","0.04","99.819","0.001","116.18","0.001","25628","5","100","","100","","","","","","","","","6","P -1","-P 1","2","double helical capsule","","","- C159 H108.5 Ca N29 O62.5 S6 -","- C159 H108.5 Ca N29 O62.5 S6 -","- C636 H434 Ca4 N116 O250 S24 -","4","2","","Teng, Binhao; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Ferrand, Yann; Huc, Ivan","Controlling aromatic helix dimerization in water by tuning charge repulsions.","Chemical science","2023","14","40","11251","11260","10.1039/d3sc02020g","","","0.9184","Synchrotron","","0.1527","0.1361","","","0.4112","0.4398","","","","","","1.909","","","","has coordinates","287322","2023-11-06","07:02:13",""
"1569937","13.2324","0.0006","9.0288","0.0004","19.0515","0.0009","90","","96.874","0.002","90","","2259.77","0.18","295","2","294.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O2 S -","- C27 H21 N O2 S -","- C108 H84 N4 O8 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","0.71073","MoKα","","0.0765","0.0439","","","0.1144","0.1393","","","","","","0.901","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569938","14.8707","0.0009","9.3692","0.0005","17.0525","0.001","90","","107.269","0.007","90","","2268.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0797","0.063","","","0.1698","0.1884","","","","","","1.066","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569939","13.7117","0.0003","9.235","0.0002","18.8993","0.0004","90","","100.434","0.001","90","","2353.6","0.09","299","2","299.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0688","0.0512","","","0.1459","0.1641","","","","","","1.132","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569940","12.7617","0.0006","21.2431","0.001","9.2655","0.0004","90","","100.383","0.004","90","","2470.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C116 H108 N4 O12 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0573","0.0454","","","0.119","0.1303","","","","","","1.038","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569941","10.274","0.002","11.716","0.004","14.422","0.004","90","","90","","90","","1736","0.8","124","","124","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O3 S -","- C18 H16 F3 N O3 S -","- C72 H64 F12 N4 O12 S4 -","4","1","","Dethe, Dattatraya H.; Kumar, Vimlesh; Shukla, Manmohan","A palladium catalyzed asymmetric desymmetrization approach to enantioenriched 1,3-disubstituted isoindolines.","Chemical science","2023","14","40","11267","11272","10.1039/d3sc03496h","","x-ray","1.54178","CuKα","","0.0318","0.0317","","","0.0847","0.0848","","","","","","1.063","","","","has coordinates","287321","2023-11-06","07:02:00",""
"1569942","9.4122","0.0004","15.2241","0.0006","24.3198","0.0009","90","","90","","90","","3484.8","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 B F4 N4 -","- C37 H43 B F4 N4 -","- C148 H172 B4 F16 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0771","0.0639","","","0.1631","0.1706","","","","","","1.213","","","","has coordinates","287303","2023-11-06","06:48:44",""
"1569943","9.279","0.0004","15.5601","0.0006","24.1767","0.001","90","","90","","90","","3490.7","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Au Cl N4 -","- C37 H42 Au Cl N4 -","- C148 H168 Au4 Cl4 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0593","0.0584","","","0.1784","0.1795","","","","","","1.056","","","","has coordinates","287303","2023-11-06","06:48:50",""
"1569944","30.373","0.003","30.373","0.003","77.172","0.013","90","","90","","120","","61655","13","200","2","200","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C517 H486 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C1551 H1458 Au36 B36 Cl36 F144 N189 O84 Pd18 -","3","0.166667","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.1278","0.0991","","","0.3268","0.362","","","","","","1.047","","","","has coordinates,has disorder","287303","2023-11-06","06:48:53",""
"1569945","13.915","0.003","13.928","0.002","24.247","0.005","105.027","0.007","96.887","0.007","109.734","0.006","4159.3","1.4","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C128 H296 Ce2 Cs2 N32 O4 P8 -","- C64 H148 Ce Cs N16 O2 P4 -","- C128 H296 Ce2 Cs2 N32 O4 P8 -","2","2","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0588","0.0538","","","0.1284","0.1363","","","","","","1.101","","","","has coordinates,has disorder","287298","2023-11-06","06:47:06",""
"1569946","13.828","0.001","13.9994","0.001","23.9161","0.0017","95.768","0.003","105.731","0.003","108.564","0.003","4135","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H306 Ce2 N32 O5 P8 Rb2 -","- C132 H306 Ce2 N32 O5 P8 Rb2 -","- C132 H306 Ce2 N32 O5 P8 Rb2 -","1","0.5","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0987","0.0856","","","0.2284","0.2432","","","","","","1.094","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569947","14.1551","0.0007","23.2285","0.0012","22.8762","0.0012","90","","99.179","0.002","90","","7425.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H266 Ce2 N32 Na2 O P8 -","- C116 H266 Ce2 N32 Na2 O P8 -","- C232 H532 Ce4 N64 Na4 O2 P16 -","2","0.5","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0536","0.0446","","","0.1069","0.1145","","","","","","1.036","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569948","28.658","0.006","22.627","0.005","25.312","0.005","90","","115.73","0.03","90","","14786","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H266 Ce2 Li2 N32 O P8 -","- C116 H266 Ce2 Li2 N32 O P8 -","- C464 H1064 Ce8 Li8 N128 O4 P32 -","4","1","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0931","0.0858","","","0.1805","0.1847","","","","","","1.146","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569949","20.5497","0.0014","18.859","0.0012","28.366","0.002","90","","107.014","0.002","90","","10512","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H186 Ce K N16 O13 P4 -","- C84 H186 Ce K N16 O13 P4 -","- C336 H744 Ce4 K4 N64 O52 P16 -","4","1","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.1389","0.1296","","","0.2645","0.2699","","","","","","1.158","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569950","9.7038","0.0004","21.6692","0.0009","18.5069","0.0008","90","","94.236","0.003","90","","3880.9","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 O9 P3 -","- C45 H39 O9 P3 -","- C180 H156 O36 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0486","0.0398","","","0.1099","0.1134","","","","","","1.066","","","","has coordinates","287297","2023-11-06","06:44:50",""
"1569951","9.5934","0.0004","16.0924","0.0006","16.5046","0.0007","61.503","0.001","88.68","0.002","84.59","0.002","2228.61","0.16","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H49 O11 P3 -","- C51 H49 O11 P3 -","- C102 H98 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0751","0.0591","","","0.1725","0.1875","","","","","","1.057","","","","has coordinates","287297","2023-11-06","06:44:53",""
"1569952","26.6062","0.0004","26.6062","0.0004","26.6062","0.0004","90","","90","","90","","18834.3","0.5","198","","198","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C81 H96 N3 O9 P3 -","- C81 H96 N3 O9 P3 -","- C648 H768 N24 O72 P24 -","8","0.333333","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0879","0.0866","","","0.2279","0.2307","","","","","","1.043","","","","has coordinates","287297","2023-11-06","06:44:59",""
"1569953","17.3052","0.0012","9.0255","0.001","17.3209","0.0018","90","","119.957","0.002","90","","2343.9","0.4","193","","193","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C53 H55 O13 P3 -","- C53 H55 O13 P3 -","- C106 H110 O26 P6 -","2","0.5","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1391","0.0848","","","0.2114","0.2581","","","","","","1.048","","","","has coordinates,has disorder","287297","2023-11-06","06:45:10",""
"1569954","9.6814","0.0005","15.7995","0.0011","16.5384","0.0011","61.976","0.002","88.724","0.002","88.902","0.002","2232.5","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51 O11 P3 -","- C51 H51 O11 P3 -","- C102 H102 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0559","0.0483","","","0.1322","0.1382","","","","","","1.056","","","","has coordinates,has disorder","287297","2023-11-06","06:45:12",""
"1569955","9.834","0.0005","16.3677","0.0008","16.5833","0.0008","60.844","0.002","86.001","0.002","87.955","0.003","2325.4","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H53 O10 P3 -","- C53 H53 O10 P3 -","- C106 H106 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0683","0.0456","","","0.1289","0.1358","","","","","","1.069","","","","has coordinates","287297","2023-11-06","06:45:17",""
"1569956","9.3026","0.0002","23.6769","0.0006","31.7445","0.0008","109.593","0.001","96.78","0.002","97.97","0.002","6421.2","0.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H63 O12 P3 -","- C72 H63 O12 P3 -","- C288 H252 O48 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0758","0.0635","","","0.1896","0.2017","","","","","","1.071","","","","has coordinates","287297","2023-11-06","06:45:21",""
"1569957","9.4775","0.0004","16.7701","0.0008","17.2391","0.0009","114.852","0.003","90.936","0.003","105.208","0.003","2374","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H53 O11 P3 -","- C56 H53 O11 P3 -","- C112 H106 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1423","0.0614","","","0.1372","0.169","","","","","","0.999","","","","has coordinates,has disorder","287297","2023-11-06","06:45:24",""
"1569958","9.7954","0.0004","16.3856","0.0009","26.881","0.0015","90","","94.079","0.002","90","","4303.6","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cl O11 P3 -","- C48 H44 Cl O11 P3 -","- C192 H176 Cl4 O44 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1077","0.0717","","","0.1896","0.22","","","","","","1.036","","","","has coordinates","287297","2023-11-06","06:45:35",""
"1569959","9.6266","0.0004","25.9063","0.001","22.4427","0.0009","90","","94.66","0.002","90","","5578.5","0.4","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H63 O13 P3 -","- C65 H63 O13 P3 -","- C260 H252 O52 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0591","0.0486","","","0.1313","0.138","","","","","","1.067","","","","has coordinates,has disorder","287297","2023-11-06","06:45:48",""
"1569960","17.9616","0.0009","18.1401","0.001","19.7987","0.0011","116.041","0.003","91.906","0.003","102.985","0.003","5583.3","0.6","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H67 O11 P3 -","- C63 H67 O11 P3 -","- C252 H268 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0966","0.0617","","","0.1725","0.1824","","","","","","1.014","","","","has coordinates,has disorder","287297","2023-11-06","06:45:51",""
"1569961","10.4445","0.0003","16.552","0.0004","25.2164","0.0006","90","","96.461","0.001","90","","4331.66","0.19","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 O12 P4 -","- C48 H48 O12 P4 -","- C192 H192 O48 P16 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0703","0.0441","","","0.1114","0.124","","","","","","1.035","","","","has coordinates","287297","2023-11-06","06:46:02",""
"1569962","9.1368","0.0003","11.1106","0.0004","23.2706","0.0007","80.5","0.001","86.409","0.001","76.836","0.001","2267.93","0.13","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H55 O10 P3 -","- C52 H55 O10 P3 -","- C104 H110 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.045","0.041","","","0.1147","0.1182","","","","","","1.03","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569963","8.3298","0.0003","11.7921","0.0006","23.5575","0.001","75.792","0.002","87.279","0.002","77.21","0.002","2187.46","0.17","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C53 H47 O10 P3 -","- C53 H47 O10 P3 -","- C106 H94 O20 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.061","0.0452","","","0.107","0.1168","","","","","","1.052","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569964","16.1991","0.0003","10.1623","0.0002","28.6677","0.0006","90","","90.624","0.001","90","","4719","0.16","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 O9 P3 -","- C52 H47 O9 P3 -","- C208 H188 O36 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0423","0.0412","","","0.1189","0.1198","","","","","","1.025","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569965","9.4246","0.0016","16.952","0.003","28.583","0.004","88.789","0.005","83.362","0.005","88.235","0.005","4533.1","1.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H47 O11 P3 -","- C53 H47 O11 P3 -","- C212 H188 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1753","0.0823","","","0.1821","0.2475","","","","","","1.025","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569966","9.546","0.0005","14.968","0.0008","16.9529","0.0007","69.511","0.002","76.368","0.002","81.443","0.002","2199.29","0.19","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N2 O9 P3 -","- C51 H47 N2 O9 P3 -","- C102 H94 N4 O18 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0606","0.0434","","","0.1106","0.1205","","","","","","1.037","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569967","10.5368","0.0003","15.9874","0.0005","16.9175","0.0006","101.345","0.002","106.614","0.001","90.411","0.001","2671.41","0.15","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H51 Cl2 F2 O11 P3 -","- C59 H51 Cl2 F2 O11 P3 -","- C118 H102 Cl4 F4 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.044","0.0413","","","0.1093","0.111","","","","","","1.03","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569968","9.6588","0.0005","16.0406","0.0008","16.414","0.0008","62.242","0.002","89.152","0.002","84.69","0.002","2239.6","0.2","193","","193","","","","","","","","","5","P 1","P 1","1","","","","- C51 H48 N O12 P3 -","- C51 H48 N O12 P3 -","- C102 H96 N2 O24 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0447","0.0423","","","0.1229","0.1256","","","","","","1.079","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569969","8.9718","0.0004","17.5666","0.0008","29.7758","0.0013","90","","90.006","0.002","90","","4692.8","0.4","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0406","0.0401","","","0.1234","0.1243","","","","","","1.167","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569970","11.0428","0.0002","15.3355","0.0003","16.784","0.0004","93.686","0.001","100.727","0.001","107.398","0.001","2642.99","0.1","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0389","0.0365","","","0.1004","0.1026","","","","","","1.054","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569971","22.5584","0.0004","10.1939","0.0002","24.3804","0.0004","90","","116.477","0.001","90","","5018.43","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0484","0.043","","","0.1158","0.1179","","","","","","1.046","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569972","11.0451","0.0004","15.3389","0.0005","16.7639","0.0006","93.606","0.002","100.717","0.002","107.383","0.002","2641.81","0.16","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0331","0.0322","","","0.0872","0.088","","","","","","1.039","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569973","7.3067","0.0002","17.8379","0.0005","18.2695","0.0005","95.467","0.001","92.247","0.001","100.75","0.001","2324.79","0.11","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H45 Br Cl O10 P3 -","- C52 H45 Br Cl O10 P3 -","- C104 H90 Br2 Cl2 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0644","0.0595","","","0.1763","0.181","","","","","","1.042","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569974","21.6584","0.0006","8.6796","0.0003","27.2304","0.0007","90","","93.524","0.001","90","","5109.3","0.3","193.15","","193.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 O12 P3 -","- C50 H51 O12 P3 -","- C200 H204 O48 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0434","0.0377","","","0.1025","0.1072","","","","","","1.053","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569975","8.9267","0.0011","17.608","0.002","29.783","0.004","90","","90.035","0.004","90","","4681.3","1","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.066","0.0649","","","0.1857","0.1873","","","","","","1.036","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569976","22.5745","0.0004","10.2015","0.0002","24.3748","0.0004","90","","116.635","0.001","90","","5017.68","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0421","0.0402","","","0.1118","0.1137","","","","","","1.053","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569977","17.0351","0.0002","7.02387","0.0001","27.7571","0.0004","90","","90","","90","","3321.2","0.08","100.09","0.1","100.09","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 B F2 N4 O -","- C19 H15 B F2 N4 O -","- C152 H120 B8 F16 N32 O8 -","8","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0451","0.0373","","","0.0891","0.093","","","","","","1.073","","","","has coordinates","287291","2023-11-06","06:38:49",""
"1569978","7.9997","0.0003","11.4194","0.0004","14.6997","0.0006","72.158","0.003","82.26","0.003","72.295","0.003","1216.44","0.08","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 B F2 N4 O -","- C27 H31 B F2 N4 O -","- C54 H62 B2 F4 N8 O2 -","2","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0417","0.0369","","","0.1023","0.1059","","","","","","1.103","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569979","7.2509","0.0003","41.2972","0.0009","9.738","0.0002","90.122","0.002","109.885","0.003","89.203","0.003","2741.83","0.15","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F2 N4 O2 -","- C29 H34 B F2 N4 O2 -","- C116 H136 B4 F8 N16 O8 -","4","2","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0911","0.0783","","","0.2231","0.2356","","","","","","1.049","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569980","7.9249","0.0002","11.3974","0.0003","16.0639","0.0004","98.41","0.002","102.69","0.002","108.1","0.002","1308.96","0.06","100","0.4","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 B F2 N4 O -","- C29 H35 B F2 N4 O -","- C58 H70 B2 F4 N8 O2 -","2","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0999","0.0902","","","0.2406","0.2478","","","","","","1.118","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569981","10.531","0.003","28.389","0.009","26.123","0.013","90","","98.954","0.017","90","","7715","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EMind)LCu(N3Ad)","","","- C83 H116 Cu F6 N5 O2 -","- C83 H116 Cu F6 N5 O2 -","- C332 H464 Cu4 F24 N20 O8 -","4","1","","Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.","Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.","Chemical science","2023","14","39","10847","10860","10.1039/d3sc03641c","","","0.71073","MoKα","","0.1594","0.1095","","","0.2432","0.2643","","","","","","1.085","","","","has coordinates,has disorder","287314","2023-11-06","06:58:12",""
"1569982","14.053","0.004","14.168","0.003","25.657","0.005","90","","94.936","0.008","90","","5089","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ArFLCu","","- C65 H41 Cu F6 N2 -","- C65 H41 Cu F6 N2 -","- C260 H164 Cu4 F24 N8 -","4","1","","Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.","Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.","Chemical science","2023","14","39","10847","10860","10.1039/d3sc03641c","","","0.71073","MoKα","","0.0863","0.0454","","","0.0983","0.1109","","","","","","1.031","","","","has coordinates,has disorder","287314","2023-11-06","06:58:15",""
"1569983","38.366","0.01","4.5756","0.0011","15.248","0.004","90","","99.235","0.007","90","","2642.1","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H32 N8 O4 -","- C25 H32 N8 O4 -","- C100 H128 N32 O16 -","4","0.5","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.0835","0.0679","","","0.1924","0.2036","","","","","","1.073","","","","has coordinates","287295","2023-11-06","06:41:48",""
"1569984","11.278","0.002","4.5289","0.001","22.111","0.005","90","","91.188","0.005","90","","1129.1","0.4","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N6 O4.5 -","- C22 H29 N6 O4.5 -","- C44 H58 N12 O9 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.2428","0.0792","","","0.1343","0.1785","","","","","","0.932","","","","has coordinates","287295","2023-11-06","06:42:00",""
"1569985","18.482","0.004","9.1899","0.0015","17.264","0.003","90","","108.867","0.004","90","","2774.7","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N8 O4 -","- C25 H32 N8 O4 -","- C100 H128 N32 O16 -","4","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","Synchrotron","","0.2126","0.1509","","","0.3806","0.4319","","","","","","1.285","","","","has coordinates","287295","2023-11-06","06:42:15",""
"1569986","14.3484","0.0008","9.2167","0.0005","17.5718","0.0009","90","","110.049","0.002","90","","2183","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N6 O4 -","- C21 H26 N6 O4 -","- C84 H104 N24 O16 -","4","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.0932","0.0575","","","0.1122","0.1256","","","","","","1.066","","","","has coordinates","287295","2023-11-06","06:42:32",""
"1569987","11.3","0.003","4.5408","0.0011","21.909","0.005","90","","90.897","0.007","90","","1124","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N6 O6 -","- C21 H30 N6 O6 -","- C42 H60 N12 O12 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.1761","0.1179","","","0.308","0.3656","","","","","","1.034","","","","has coordinates","287295","2023-11-06","06:42:48",""
"1569988","9.4895","0.0004","11.6539","0.0005","13.4967","0.0006","114.125","0.001","100.242","0.001","91.853","0.001","1331.33","0.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 S2 -","- C34 H26 N2 S2 -","- C68 H52 N4 S4 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0603","0.0439","","","0.0963","0.1036","","","","","","1.043","","","","has coordinates","286553","2023-09-27","02:10:25",""
"1569989","9.8916","0.0004","25.9653","0.001","10.937","0.0006","90","","109.525","0.001","90","","2647.5","0.2","90","","90","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 N2 S2 -","- C34 H26 N2 S2 -","- C136 H104 N8 S8 -","4","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0372","0.0337","","","0.0908","0.0944","","","","","","1.056","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569990","17.1862","0.0006","12.2494","0.0004","18.3174","0.0006","90","","113.273","0.001","90","","3542.4","0.2","90","","90","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H64 N4 O12 S4 -","- C84 H64 N4 O12 S4 -","- C168 H128 N8 O24 S8 -","2","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0622","0.0453","","","0.1111","0.1225","","","","","","1.022","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569991","10.602","0.002","16.714","0.004","24.181","0.005","71.454","0.006","88.132","0.006","78.607","0.006","3980.2","1.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C185 H145 N8 O28 S8 -","- C185 H145 N8 O28 S8 -","- C185 H145 N8 O28 S8 -","1","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.1188","0.0879","","","0.2205","0.2382","","","","","","1.095","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569992","9.6987","0.0002","20.7245","0.0005","22.9341","0.0006","90","","101.68","0.001","90","","4514.32","0.19","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 N2 O12 S2 -","- C49 H35 N2 O12 S2 -","- C196 H140 N8 O48 S8 -","4","1","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0923","0.0519","","","0.1034","0.118","","","","","","1.022","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1569993","30.6739","0.0012","9.6686","0.0004","24.285","0.0009","90","","90","","90","","7202.3","0.5","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H32 N2 O4 S2 -","- C42 H32 N2 O4 S2 -","- C336 H256 N16 O32 S16 -","8","2","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0433","0.0358","","","0.0841","0.088","","","","","","1.032","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1569994","9.8404","0.0004","21.4458","0.0008","67.537","0.003","90","","90","","90","","14252.7","1","90","","90","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 Co N4 O2 S4 -","- C68 H56 Co N4 O2 S4 -","- C544 H448 Co8 N32 O16 S32 -","8","0.25","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0663","0.048","","","0.1055","0.1143","","","","","","1.034","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1569995","9.8621","0.0006","21.6164","0.0013","67.069","0.004","90","","90","","90","","14298","1.5","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 N4 Ni O2 S4 -","- C68 H56 N4 Ni O2 S4 -","- C544 H448 N32 Ni8 O16 S32 -","8","0.25","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.41328","synchrotron","","0.0435","0.0378","","","0.0977","0.1011","","","","","","1.086","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1569996","9.8296","0.0005","21.4844","0.0012","67.4","0.004","90","","90","","90","","14233.7","1.4","90","","90","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 N6 O8 S4 Zn -","- C68 H56 N6 O8 S4 Zn -","- C544 H448 N48 O64 S32 Zn8 -","8","0.25","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0965","0.0863","","","0.2209","0.2268","","","","","","1.21","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1569997","9.8116","0.0012","21.432","0.003","69.162","0.008","90","","90","","90","","14544","3","90","","90","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C68 H56 Cd N6 O8 S4 -","- C68 H56 Cd N6 O8 S4 -","- C544 H448 Cd8 N48 O64 S32 -","8","0.25","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0937","0.0927","","","0.2321","0.2326","","","","","","1.268","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1569998","9.496","0.003","10.032","0.003","17.38","0.005","86.772","0.008","84.163","0.009","83.443","0.009","1634.7","0.9","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cl2 Cu I N2 S2 -","- C35 H28 Cl2 Cu I N2 S2 -","- C70 H56 Cl4 Cu2 I2 N4 S4 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0844","0.0553","","","0.1279","0.1388","","","","","","1.046","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1569999","9.5108","0.0003","11.4444","0.0003","16.0164","0.0004","105.012","0.001","98.452","0.001","99.178","0.001","1629.52","0.08","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H66 Br2 Cu N6 O2 S4 -","- C74 H66 Br2 Cu N6 O2 S4 -","- C74 H66 Br2 Cu N6 O2 S4 -","1","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.058","0.044","","","0.1104","0.1167","","","","","","1.051","","","","has coordinates,has disorder","286553","2023-09-27","02:10:27",""
"1570000","10.1753","0.0013","10.952","0.0013","18.411","0.002","89.839","0.004","82.711","0.004","69.145","0.004","1899.8","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 N3 O8 S2 Zn -","- C42 H33 N3 O8 S2 Zn -","- C84 H66 N6 O16 S4 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0508","0.0428","","","0.1027","0.106","","","","","","1.053","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1570001","14.2712","0.0009","14.7916","0.0009","19.2839","0.0012","98.124","0.002","104.4","0.002","117.968","0.002","3320.3","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H60 N4 O5 S4 Zn -","- C82 H60 N4 O5 S4 Zn -","- C164 H120 N8 O10 S8 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0744","0.0446","","","0.0888","0.0991","","","","","","1.014","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1570002","11.873","0.002","17.012","0.003","22.921","0.004","78.006","0.004","76.999","0.004","83.799","0.004","4403.4","1.3","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H93 N7 O17 S4 Zn2 -","- C90 H93 N7 O17 S4 Zn2 -","- C180 H186 N14 O34 S8 Zn4 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.1171","0.0765","","","0.1916","0.2142","","","","","","1.043","","","","has coordinates,has disorder","286553","2023-09-27","02:10:28",""
"1570003","10.1309","0.0004","11.6998","0.0004","19.7642","0.0007","76.491","0.001","78.625","0.001","67.929","0.001","2095.27","0.13","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H39 N3 O8 S2 Zn -","- C46 H39 N3 O8 S2 Zn -","- C92 H78 N6 O16 S4 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0874","0.0562","","","0.1053","0.1185","","","","","","1.027","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570004","10.262","0.0011","11.2119","0.0012","18.905","0.002","87.543","0.003","82.666","0.003","66.797","0.003","1982.8","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H37 N3 O7 S2 Zn -","- C46 H37 N3 O7 S2 Zn -","- C92 H74 N6 O14 S4 Zn2 -","2","1","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.1263","0.0693","","","0.1156","0.135","","","","","","1.051","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570005","15.4656","0.0004","15.4656","0.0004","45.0635","0.0014","90","","90","","120","","9334.5","0.4","90","","90","","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H38 N2 O6 S2 Zn -","- C48 H38 N2 O6 S2 Zn -","- C288 H228 N12 O36 S12 Zn6 -","6","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0704","0.0522","","","0.1103","0.1172","","","","","","1.054","","","","has coordinates,has disorder","286553","2023-09-27","02:10:28",""
"1570006","20.2935","0.0007","16.6798","0.0006","25.1409","0.0012","90","","109.835","0.001","90","","8005.1","0.6","273.15","","273.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H56 N4 O4 S4 Zn2 -","- C76 H56 N4 O4 S4 Zn2 -","- C304 H224 N16 O16 S16 Zn8 -","4","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0435","0.0337","","","0.0841","0.0893","","","","","","1.06","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570007","8.5042","0.0011","13.3095","0.0017","20.921","0.003","90","","101.348","0.001","90","","2321.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-glutarato)dicopper(II)]","","- C21 H22 Cu2 N4 O9 -","- C21 H22 Cu2 N4 O9 -","- C84 H88 Cu8 N16 O36 -","4","1","","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-glutarato)dicopper(II)]","IUCrData","2023","8","9","","","10.1107/S2414314623008337","","","0.71073","MoKα","","0.0619","0.0424","","","0.0964","0.1094","","","","","","1.032","","","","has coordinates","286554","2023-09-27","02:17:00",""
"1570008","15.4453","0.0012","8.5038","0.0005","12.4151","0.0011","90","","113.671","0.003","90","","1493.5","0.2","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 N10 O12 -","- C7 H2 N10 O12 -","- C28 H8 N40 O48 -","4","1","","Dong, Yaqun; Li, Miao; Liu, Jing; Liu, Yuji; Huang, Wei; Shreeve, Jean'ne M.; Tang, Yongxing","Pushing the limits of the heat of detonation <i>via</i> the construction of polynitro bipyrazole.","Materials horizons","2023","10","12","5729","5733","10.1039/d3mh01381b","","","0.71073","MoKα","","0.0684","0.0471","","","0.1076","0.1284","","","","","","1.067","","","","has coordinates","288913","2024-01-06","10:01:55",""
"1570009","5.0954","0.0002","8.4208","0.0004","11.6907","0.0005","79.354","0.003","78.91","0.003","72.855","0.003","465.97","0.04","193","","193","","","","","","","","","4","P -1","-P 1","2","","123","","- C8 H4 N6 O4 -","- C8 H4 N6 O4 -","- C16 H8 N12 O8 -","2","1","","Dong, Yaqun; Li, Miao; Liu, Jing; Liu, Yuji; Huang, Wei; Shreeve, Jean'ne M.; Tang, Yongxing","Pushing the limits of the heat of detonation <i>via</i> the construction of polynitro bipyrazole.","Materials horizons","2023","10","12","5729","5733","10.1039/d3mh01381b","","","1.54178","CuKα","","0.0664","0.0598","","","0.1939","0.1983","","","","","","1.081","","","","has coordinates","288913","2024-01-06","10:02:07",""
"1570010","9.144","","12.629","","12.031","","90","","99.17","","90","","1371.58","","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N9 O10 -","- C7 H3 N9 O10 -","- C28 H12 N36 O40 -","4","1","","Dong, Yaqun; Li, Miao; Liu, Jing; Liu, Yuji; Huang, Wei; Shreeve, Jean'ne M.; Tang, Yongxing","Pushing the limits of the heat of detonation <i>via</i> the construction of polynitro bipyrazole.","Materials horizons","2023","10","12","5729","5733","10.1039/d3mh01381b","","","1.54178","CuKα","","0.1027","0.0773","","","0.211","0.229","","","","","","1.123","","","","has coordinates","288913","2024-01-06","10:02:10",""
"1570011","14.056499","0.000014","14.319201","0.000014","17.2059","0.000017","90","","95.848","0.003","90","","3445.14","0.019","100","","100","","","","100","","","","synthesis","7","I 1 a 1","I -2ya","9","meta-CF3 Pd(II) catalyst bistriflimide","2-(5-(trifluoromethyl)pyridin-2-yl)benzo[d]oxazole palladium(II)bis(bistriflimide)bis(acetonitrile)","","- C21 H13 F15 N6 O9 Pd S4 -","- C21 H13 F15 N6 O9 Pd S4 -","- C84 H52 F60 N24 O36 Pd4 S16 -","4","1","","Blair, Matthew N.; Murray-Williams, Meadhbh; Maguire, Calum; Brown, Clare L.; Cao, Qun; Chai, Hongxin; Li, Yitong; O'Hagan, Róisín L.; Dingwall, Paul; Manesiotis, Panagiotis; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich; Knipe, Peter C.; Muldoon, Mark J.","Enhancing the performance for palladium catalysed tert-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes","Catalysis Science & Technology","2023","13","21","6224","6232","10.1039/D3CY01046E","","","0.71073","MoKα","","0.0561","0.0543","","0.132","0.1304","0.132","","","","","","1.0254","","","","has coordinates","287290","2023-11-06","06:17:44",""
"1570012","6.0804","0.0003","9.9981","0.0005","13.2176","0.0007","78.932","0.004","86.169","0.004","79.771","0.004","775.61","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","6-chloro-3-iodoimidazo[1,2-a]pyrazine","","- C6 H3 Cl I N3 -","- C6 H3 Cl I N3 -","- C24 H12 Cl4 I4 N12 -","4","2","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.055","0.0357","","","0.0784","0.088","","","","","","1.04","","","","has coordinates","287323","2023-11-06","07:02:27",""
"1570013","8.9084","0.0003","8.9556","0.0003","9.5787","0.0003","75.699","0.001","74.587","0.001","80.138","0.001","709.3","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-chloro-8-iodo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-3-carbonitrile","","- C14 H8 Cl I N4 O -","- C14 H8 Cl I N4 O -","- C28 H16 Cl2 I2 N8 O2 -","2","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.0246","0.022","","","0.0535","0.0551","","","","","","1.048","","","","has coordinates","287323","2023-11-06","07:02:38",""
"1570014","13.2253","0.001","7.3421","0.0004","9.4392","0.0006","90","","106.538","0.007","90","","878.64","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-allyl-6-chloroimidazo[1,2-a]pyrazine","","- C9 H8 Cl N3 -","- C9 H8 Cl N3 -","- C36 H32 Cl4 N12 -","4","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.0573","0.0432","","","0.1053","0.1163","","","","","","1.06","","","","has coordinates","287323","2023-11-06","07:02:52",""
"1570015","8.2171","0.0002","5.6996","0.0001","18.6448","0.0005","90","","99.802","0.001","90","","860.47","0.03","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-chloro-2-iodoimidazo[1,2-a]pyrazine-3-carbonitrile","","- C7 H2 Cl I N4 -","- C7 H2 Cl I N4 -","- C28 H8 Cl4 I4 N16 -","4","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.023","0.0184","","","0.0369","0.0386","","","","","","1.054","","","","has coordinates","287323","2023-11-06","07:03:06",""
"1570016","9.6512","0.0008","19.553","0.0012","20.0708","0.0007","71.675","0.004","89.523","0.004","88.863","0.006","3594.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","NDI-Pt-Ptz","NDI-Pt-Ptz","","- C77 H105 N3 O4 P2 Pt S -","- C77 H105 N3 O4 P2 Pt S -","- C154 H210 N6 O8 P4 Pt2 S2 -","2","1","","Auty, Alexander J.; Scattergood, Paul A.; Keane, Theo; Cheng, Tao; Wu, Guanzhi; Carson, Heather; Shipp, James; Sadler, Andrew; Roseveare, Thomas; Sazanovich, Igor V.; Meijer, Anthony J. H. M.; Chekulaev, Dimitri; Elliot, Paul I. P.; Towrie, Mike; Weinstein, Julia A.","A stronger acceptor decreases the rates of charge transfer: ultrafast dynamics and on/off switching of charge separation in organometallic donor-bridge-acceptor systems.","Chemical science","2023","14","41","11417","11428","10.1039/d2sc06409j","","x-ray","0.6889","synchrotron","","0.1246","0.1078","","","0.3157","0.3265","","","","","","1.098","","","","has coordinates","287294","2023-11-06","06:40:49",""
"1570017","14.635","0.002","10.097","0.002","20.471","0.003","90","","103.824","0.011","90","","2937.4","0.8","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","1","","Just, David; Gonçalves, Carlos R; Vezonik, Uroš; Kaiser, Daniel; Maulide, Nuno","General acid-mediated aminolactone formation using unactivated alkenes.","Chemical science","2023","14","39","10806","10811","10.1039/d3sc04073a","","x-ray","0.71073","MoKα","","0.1699","0.0991","","","0.276","0.3023","","","","","","1.043","","","","has coordinates,has disorder","287313","2023-11-06","06:57:51",""
"1570018","12.4541","0.0011","14.0752","0.0012","11.4174","0.001","90","","113.841","0.002","90","","1830.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Gandelman419b (Kuldeep)","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1209","0.0642","","","0.1295","0.1556","","","","","","1.013","","","","has coordinates","288732","2024-01-06","07:18:28",""
"1570019","17.321","0.003","17.321","0.003","25.467","0.005","90","","90","","120","","6617","2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","Gandelman452b (Kuldeep)","","","- C78 H90 I8 Li8 N18 -","- C78 H90 I8 Li8 N18 -","- C234 H270 I24 Li24 N54 -","3","0.166667","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0741","0.0387","","","0.0616","0.0685","","","","","","0.875","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570020","7.804","0.0016","8.7759","0.0018","11.326","0.002","76.189","0.002","73.494","0.003","64.373","0.004","664.5","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Gandelman457b (Kuldeep)","","","- C15 H19 N3 -","- C15 H19 N3 -","- C30 H38 N6 -","2","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0789","0.0406","","","0.0954","0.1137","","","","","","0.966","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570021","9.832","0.003","11.907","0.004","12.61","0.004","90","","90","","90","","1476.2","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gandelman417b (Kuldeep)","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1291","0.0612","","","0.125","0.1544","","","","","","1.083","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570022","10.225","0.002","18.985","0.004","10.7936","0.0018","90","","104.967","0.006","90","","2024.2","0.7","286","2","286","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cu N4 O2 -","- C24 H18 Cu N4 O2 -","- C96 H72 Cu4 N16 O8 -","4","1","","Ren, Jing; Xu, Junhua; Kong, Xiangxiang; Li, Jinlong; Li, Kaizhi","Coordinating activation strategy enables 1,2-alkylamidation of alkynes.","Chemical science","2023","14","41","11466","11473","10.1039/d3sc03786j","","","0.71073","MoKα","","0.037","0.0298","","","0.077","0.0817","","","","","","1.042","","","","has coordinates","287296","2023-11-06","06:43:20",""
"1570023","33.748","0.0005","33.748","0.0005","33.748","0.0005","90","","90","","90","","38436.5","1","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H13 Cl In3 N2 O14.5 -","- C24 H10 Cl In3 N2 O14.5 -","- C576 H240 Cl24 In72 N48 O348 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0427","0.0427","","","0.1181","0.1181","","","","","","1.156","","","","has coordinates,has disorder","286612","2023-10-02","17:11:52",""
"1570024","33.8796","0.0013","33.8796","0.0013","33.8796","0.0013","90","","90","","90","","38888","3","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C26.67 H14.86 Br In3 N1.33 O14.43 -","- C26.6662 H11.9994 Br0.7386 In3 N1.3334 O14.428 -","- C639.989 H287.986 Br17.7264 In72 N32.0016 O346.272 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0209","0.0202","","","0.0584","0.0591","","","","","","1.012","","","","has coordinates,has disorder","286613","2023-10-02","17:49:15",""
"1570025","44.7093","0.0005","44.7093","0.0005","44.7093","0.0005","90","","90","","90","","89370.4","1.7","100","0.1","100","0.1","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C43.5 H38 Co3 N3 O15 S6 -","- C35.5 H10 Co3 N O15 S6 -","- C852 H240 Co72 N24 O360 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0525","0.038","","","0.105","0.1131","","","","","","1.026","","","","has coordinates,has disorder","286614","2023-10-02","17:51:36",""
"1570026","44.876","0.001","44.876","0.001","44.876","0.001","90","","90","","90","","90374","3","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C49 H42 Co3 N3.33 O15 S6 -","- C41 H14 Co3 N1.33333 O15 S6 -","- C984 H336 Co72 N32 O360 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0486","0.039","","","0.1098","0.1165","","","","","","1.044","","","","has coordinates,has disorder","286615","2023-10-02","17:53:30",""
"1570027","44.6247","0.0005","44.6247","0.0005","44.6247","0.0005","90","","90","","90","","88864","1.7","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C41 H18 Fe3 N1.33 O15 S6 -","- C41 H14 Fe3 N1.33333 O15 S6 -","- C984 H336 Fe72 N32 O360 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0457","0.0374","","","0.108","0.114","","","","","","1.028","","","","has coordinates,has disorder","286616","2023-10-02","17:55:21",""
"1570028","45.13","0.003","45.13","0.003","45.13","0.003","90","","90","","90","","91917","11","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H49.33 Co3 N6 O14.67 S6 -","- C52.3325 H21.9998 Co3 N4 O14.6666 S6 -","- C1255.98 H527.995 Co72 N96 O351.998 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.1267","0.0949","","","0.2567","0.2908","","","","","","1.267","","","","has coordinates,has disorder","286617","2023-10-02","17:57:10",""
"1570029","44.7671","0.0006","44.7671","0.0006","44.7671","0.0006","90","","90","","90","","89717","2","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C54.5 H44 Co3 N4.33 O14 S6 -","- C46.5 H18 Co3 N2.33333 O14 S6 -","- C1116 H432 Co72 N56 O336 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0499","0.0438","","","0.1124","0.1207","","","","","","1.103","","","","has coordinates,has disorder","286618","2023-10-02","17:59:16",""
"1570030","57.312","0.003","57.312","0.003","57.312","0.003","90","","90","","90","","188251","17","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C58 H34.25 Br1.12 In3.12 N8 O15 -","- C58 H34.25 Br0.125 In3.125 N8 O15 -","- C1392 H822 Br3 In75 N192 O360 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.115","0.0854","","","0.2546","0.2807","","","","","","1.014","","","","has coordinates,has disorder","286619","2023-10-02","18:01:01",""
"1570031","56.6012","0.0006","56.6012","0.0006","56.6012","0.0006","90","","90","","90","","181333","3","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C68.02 H38.13 Co3 N7.57 O14.82 -","- C68.017 H38.132 Co3 N7.56933 O14.823 -","- C1632.41 H915.168 Co72 N181.664 O355.752 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0663","0.0525","","","0.1328","0.1525","","","","","","1.101","","","","has coordinates,has disorder","286620","2023-10-02","18:02:52",""
"1570032","56.942","0.001","56.942","0.001","56.942","0.001","90","","90","","90","","184628","6","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C82 H48.8 Br In3 N8.67 O13.4 -","- C82 H48 Br0.6 In3 N8.66667 O13.4 -","- C1968 H1152 Br14.4 In72 N208 O321.6 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0887","0.064","","","0.1716","0.1997","","","","","","1.013","","","","has coordinates,has disorder","286621","2023-10-02","18:04:47",""
"1570033","56.4345","0.0008","56.4345","0.0008","56.4345","0.0008","90","","90","","90","","179736","4","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C65.19 H59.41 N8.72 Ni3 O15.46 -","- C57.18 H30.48 N6.72 Ni3 O15.46 -","- C1372.32 H731.52 N161.28 Ni72 O371.04 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.1414","0.1086","","","0.2881","0.3351","","","","","","1.374","","","","has coordinates,has disorder","286622","2023-10-02","18:06:39",""
"1570034","57.3644","0.0011","57.3644","0.0011","57.3644","0.0011","90","","90","","90","","188768","6","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C92 H54.4 Br1.05 In3.05 N10.67 O13 -","- C92 H54.4 Br0.05 In3.05 N10.6667 O13 -","- C2208 H1305.6 Br1.2 In73.2 N256 O312 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.1074","0.0874","","","0.2365","0.2677","","","","","","1.055","","","","has coordinates,has disorder","286623","2023-10-02","18:08:44",""
"1570035","57.8453","0.0008","57.8453","0.0008","57.8453","0.0008","90","","90","","90","","193555","5","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C98.03 H60.19 Br1.06 In3.06 N4.67 O13 -","- C98 H60.185 Br0.065 In3.065 N4.66667 O13 -","- C2352 H1444.44 Br1.56 In73.56 N112 O312 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0966","0.0689","","","0.1999","0.2358","","","","","","1.017","","","","has coordinates,has disorder","286624","2023-10-02","18:12:01",""
"1570036","5.6967","0.001","7.6718","0.001","5.457","0.001","90","","90","","90","","238.49","0.07","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.6Fe0.4O3","","","- Fe1.6 Mn2.4 O12 Pr4 -","- Fe1.6 Mn2.4 O12 Pr4 -","- Fe1.6 Mn2.4 O12 Pr4 -","1","0.125","","Matus Mihalik et al.","Magnetism in PrMn0.6Fe0.4O3 compound","Journal of Magnetism and Magnetic Materials","2023","565","","170216","","10.1016/j.jmmm.2022.170216","","neutron","1.79809","","","","","","","","","","0.033","0.462","","","","","","","has coordinates","286637","2023-10-03","12:15:10",""
"1570037","5.8725","0.001","7.4312","0.001","5.3192","0.001","90","","90","","90","","232.13","0.07","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","GdMnO3","","","- Gd4 Mn4 O12 -","- Gd4 Mn4 O12 -","- Gd4 Mn4 O12 -","1","0.125","","Matus Mihalik et al.","Vacancy-driven magnetism of GdMnO3+delta multiferroic compound","Journal of Magnetism and Magnetic Materials","2023","587","","171221","","10.1016/j.jmmm.2023.171221","","","1.789","CoKα~1~","","","","","","","","","0.01625","0.5993","","","","","","","has coordinates","286638","2023-10-03","15:04:48",""
"1570038","18.402","0.002","33.377","0.004","17.963","0.002","90","","90","","90","","11033","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]","","- C26 H30 Cu N4 O5 -","- C26 H28 Cu N4 O5 -","- C416 H448 Cu16 N64 O80 -","16","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks","IUCrData","2023","8","10","","","10.1107/S2414314623008556","","","0.71073","MoKα","","0.1247","0.1025","","","0.2709","0.3024","","","","","","1.164","","","","has coordinates,has disorder","286652","2023-10-04","02:04:08",""
"1570039","10.18735","0.00013","13.9611","0.0002","21.418","0.0003","90","","93.4998","0.0012","90","","3040.53","0.07","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0405","0.0351","","","0.0887","0.0939","","","","","","1.024","","","","has coordinates","287300","2023-11-06","06:47:26",""
"1570040","17.14","0.0002","8.0962","0.0001","31.5007","0.0004","90","","105.166","0.001","90","","4219.07","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C192 H192 O64 -","16","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","","1.54184","CuKα","","0.0451","0.0423","","","0.1139","0.1168","","","","","","1.083","","","","has coordinates","287300","2023-11-06","06:47:26",""
"1570041","12.9522","0.0003","8.0449","0.0002","16.5583","0.0004","90","","98.837","0.002","90","","1704.88","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0533","0.0513","","","0.1356","0.1372","","","","","","1.049","","","","has coordinates,has disorder","287300","2023-11-06","06:47:26",""
"1570042","5.5922","0.001","7.7084","0.001","5.3989","0.001","90","","90","","90","","232.73","0.07","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","SmFeO3","","","- Fe4 O12 Sm4 -","- Fe4 O12 Sm4 -","- Fe4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0327","0.6334","","","","","","","has coordinates","286678","2023-10-05","11:55:47",""
"1570043","5.5883","0.001","7.6891","0.001","5.3923","0.001","90","","90","","90","","231.7","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 O12 Sm4 -","- Fe3.6 Mn0.4 O12 Sm4 -","- Fe3.6 Mn0.4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0296","0.5891","","","","","","","has coordinates","286679","2023-10-05","11:57:15",""
"1570044","5.6111","0.001","7.6838","0.001","5.3949","0.001","90","","90","","90","","232.6","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.2Fe0.8O3","","","- Fe3.2 Mn0.8 O12 Sm4 -","- Fe3.2 Mn0.8 O12 Sm4 -","- Fe3.2 Mn0.8 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0236","0.4802","","","","","","","has coordinates","286680","2023-10-05","11:58:04",""
"1570045","5.6078","0.001","7.6752","0.001","5.391","0.001","90","","90","","90","","232.03","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.3Fe0.7O3","","","- Fe2.8 Mn1.2 O12 Sm4 -","- Fe2.8 Mn1.2 O12 Sm4 -","- Fe2.8 Mn1.2 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0293","0.5935","","","","","","","has coordinates","286681","2023-10-05","11:58:42",""
"1570046","5.6113","0.001","7.6652","0.001","5.3893","0.001","90","","90","","90","","231.8","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.4Fe0.6O3","","","- Fe2.4 Mn1.6 O12 Sm4 -","- Fe2.4 Mn1.6 O12 Sm4 -","- Fe2.4 Mn1.6 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0251","0.51","","","","","","","has coordinates","286682","2023-10-05","11:59:17",""
"1570047","5.6211","0.001","7.6525","0.001","5.3858","0.001","90","","90","","90","","231.67","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.5Fe0.5O3","","","- Fe2 Mn2 O12 Sm4 -","- Fe2 Mn2 O12 Sm4 -","- Fe2 Mn2 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0235","0.482","","","","","","","has coordinates","286683","2023-10-05","11:59:48",""
"1570048","5.6544","0.001","7.6247","0.001","5.3782","0.001","90","","90","","90","","231.87","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.6Fe0.4O3","","","- Fe1.6 Mn2.4 O12 Sm4 -","- Fe1.6 Mn2.4 O12 Sm4 -","- Fe1.6 Mn2.4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.018","1.346","","","","","","","has coordinates","286684","2023-10-05","12:00:32",""
"1570049","5.6797","0.001","7.6039","0.001","5.3739","0.001","90","","90","","90","","232.09","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.7Fe0.3O3","","","- Fe1.2 Mn2.8 O12 Sm4 -","- Fe1.2 Mn2.8 O12 Sm4 -","- Fe1.2 Mn2.8 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.02537","0.5233","","","","","","","has coordinates","286685","2023-10-05","12:02:45",""
"1570050","5.7234","0.001","7.5626","0.001","5.3666","0.001","90","","90","","90","","232.29","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 O12 Sm4 -","- Fe0.8 Mn3.2 O12 Sm4 -","- Fe0.8 Mn3.2 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.026","0.5233","","","","","","","has coordinates","286686","2023-10-05","12:03:15",""
"1570051","5.7153","0.001","7.5566","0.001","5.3667","0.001","90","","90","","90","","231.78","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","SmMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 O12 Sm4 -","- Fe0.4 Mn3.6 O12 Sm4 -","- Fe0.4 Mn3.6 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.023","0.485","","","","","","","has coordinates","286687","2023-10-05","12:03:57",""
"1570052","5.7865","0.001","7.5149","0.001","5.3648","0.001","90","","90","","90","","233.29","0.07","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","SmMnO3","","","- Mn4 O12 Sm4 -","- Mn4 O12 Sm4 -","- Mn4 O12 Sm4 -","1","0.125","","Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik","Magnetic phase diagram of SmMn1-xFexO3 substitutional system","Physica B","2023","660","","414850","","10.1016/j.physb.2023.414850","","","1.789","CoKα~1~","","","","","","","","","0.0343","0.6728","","","","","","","has coordinates","286688","2023-10-05","12:04:28",""
"1570053","21.789","0.003","9.5494","0.0012","22.2","0.003","90","","90","","90","","4619.2","1.1","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],","","- C25 H29 N3 Ni O6 -","- C25 H29 N3 Ni O6 -","- C200 H232 N24 Ni8 O48 -","8","1","BH4079","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology","IUCrData","2023","8","10","","","10.1107/S2414314623008696","","","0.71073","MoKα","","0.0709","0.0479","","","0.1195","0.1338","","","","","","1.053","","","","has coordinates","286822","2023-10-06","02:00:36",""
"1570054","9.8109","0.0006","9.8109","0.0006","14.8403","0.0012","90","","90","","120","","1237.06","0.15","293","2","293","2","","","","","","","","3","P -3","-P 3","147","","","","- O25 P6 Pb10 -","- O25 P6 Pb10 -","- O50 P12 Pb20 -","2","0.333333","","Krivovichev, Sergey V.; Engel, Günther","The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure","Crystals","2023","13","9","1371","","10.3390/cryst13091371","","","0.71073","MoKα","","0.0544","0.0413","","","0.0749","0.0771","","","","","","0.866","","","","has coordinates","286823","2023-10-06","06:51:17",""
"1570055","15.1011","0.001","48.312","0.003","4.2805","0.0004","90","","90","","90","","3122.9","0.4","93","","93","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H8 Cl2 O2 S3 -","- C14 H8 Cl2 O2 S3 -","- C112 H64 Cl16 O16 S24 -","8","0.5","","Aitken, R. Alan; Campbell, Alexandra H.; Fletcher, Chloé E.; Slawin, Alexandra M. Z.","2,2′-Trisulfanediyldibenzoyl Chloride","Molbank","2023","2023","3","M1731","","10.3390/M1731","","","0.71073","MoKα","","0.0314","0.0281","","","0.0705","0.072","","","","","","0.924","","","","has coordinates","286824","2023-10-06","16:27:58",""
"1570056","10.8691","0.0003","11.2102","0.0003","11.8287","0.0003","71.074","0.001","84.694","0.001","73.669","0.001","1308.34","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Cl2 N5 O4 Ru -","- C26 H19 Cl2 N5 O4 Ru -","- C52 H38 Cl4 N10 O8 Ru2 -","2","1","","Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo","Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.","Chemical science","2023","14","42","11768","11774","10.1039/d3sc03681b","","","0.71073","MoKα","","0.0343","0.0302","","","0.0747","0.078","","","","","","1.045","","","","has coordinates,has disorder","287305","2023-11-06","06:50:34",""
"1570057","12.1419","0.0005","14.3036","0.0006","31.1469","0.0013","83.406","0.002","80.168","0.002","65.193","0.002","4832.5","0.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H101 Cl4 N20 O4 Ru2 -","- C108 H101 Cl4 N20 O4 Ru2 -","- C216 H202 Cl8 N40 O8 Ru4 -","2","1","","Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo","Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.","Chemical science","2023","14","42","11768","11774","10.1039/d3sc03681b","","x-ray","1.34139","GaKα","","0.0939","0.0675","","","0.1807","0.1958","","","","","","1.04","","","","has coordinates","287305","2023-11-06","06:50:46",""
"1570058","5.9394","0.0001","17.7242","0.0004","25.3518","0.0006","90","","95.735","0.001","90","","2655.45","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 S2 -","- C16 H14 S2 -","- C128 H112 S16 -","8","2","","Hauk, Pascal; Mazan, Valérie; Gallou, Fabrice; Wencel-Delord, Joanna","Micellar catalysis: a green solution to enable undirected and mild C-H activation of (oligo)thiophenes at the challenging β-position.","Chemical science","2023","14","43","12049","12055","10.1039/d3sc03708h","","","0.71073","MoKα","","0.0357","0.0321","","","0.0874","0.0907","","","","","","1.043","","","","has coordinates","288077","2023-12-06","14:29:42",""
"1570059","10.9891","0.0002","19.987","0.0003","12.3245","0.0002","90","","90","","90","","2706.94","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H43 Li O8 Si Te -","- C20 H43 Li O8 Si Te -","- C80 H172 Li4 O32 Si4 Te4 -","4","0.5","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0303","0.0242","","","0.0521","0.0536","","","","","","1.046","","","","has coordinates,has disorder","288081","2023-12-06","14:30:32",""
"1570060","11.5657","0.0002","13.6873","0.0002","14.3677","0.0002","64.365","0.002","77.801","0.001","88.853","0.001","1997.68","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 N Nb O2.5 P2 Te2 -","- C36 H60 N Nb O2.5 P2 Te2 -","- C72 H120 N2 Nb2 O5 P4 Te4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0681","0.0558","","","0.1402","0.1464","","","","","","1.066","","","","has coordinates,has disorder","288081","2023-12-06","14:30:33",""
"1570061","11.5337","0.0002","13.6583","0.0003","14.3715","0.0003","64.384","0.002","77.963","0.002","88.962","0.002","1989.87","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 N O2.5 P2 Ta Te2 -","- C36 H60 N O2.5 P2 Ta Te2 -","- C72 H120 N2 O5 P4 Ta2 Te4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0575","0.0485","","","0.1348","0.1396","","","","","","1.053","","","","has coordinates,has disorder","288081","2023-12-06","14:30:33",""
"1570062","11.5664","0.0016","19.025","0.002","7.3449","0.0009","90","","108.05","0.014","90","","1536.7","0.3","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","0.71073","MoKα","","0.1125","0.0611","","","0.1142","0.1488","","","","","","1.082","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570063","22.1078","0.0002","22.1078","0.0002","4.3558","0.0001","90","","90","","90","","2128.92","0.06","100","2","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","2,4,5,7-Tetrafluoro-3,6-diaza-9-hydroxy-9-borafluorene","","- C10 H5 B F4 N2 O2 -","- C10 H5 B F4 N2 O2 -","- C80 H40 B8 F32 N16 O16 -","8","0.5","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0268","0.0261","","","0.0685","0.0689","","","","","","1.046","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570064","9.4037","0.0004","9.4998","0.0005","13.2405","0.0006","79.331","0.004","74.069","0.004","80.373","0.004","1109.21","0.09","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 B F2 N4 O -","- C29 H17 B F2 N4 O -","- C58 H34 B2 F4 N8 O2 -","2","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","0.71073","MoKα","","0.0662","0.0513","","","0.1097","0.1187","","","","","","1.048","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570065","13.6135","0.0002","6.8322","0.0001","20.0023","0.0003","90","","97.479","0.001","90","","1844.59","0.05","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 B F2 N3 O -","- C23 H14 B F2 N3 O -","- C92 H56 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0439","0.0384","","","0.1071","0.1132","","","","","","1.038","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570066","6.9943","0.0001","20.8883","0.0002","12.2162","0.0001","90","","96.442","0.001","90","","1773.51","0.03","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H12 B F2 N3 O2 -","- C23 H12 B F2 N3 O2 -","- C92 H48 B4 F8 N12 O8 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0367","0.0349","","","0.0891","0.0905","","","","","","1.04","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570067","18.0134","0.0002","8.6183","0.0001","11.0947","0.0001","90","","113.908","0.001","90","","1574.61","0.03","100","2","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H12 B F2 N3 O -","- C21 H12 B F2 N3 O -","- C84 H48 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.0819","0.0838","","","","","","1.055","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570068","7.7086","0.0001","10.4268","0.0001","14.8449","0.0002","72.395","0.001","76.238","0.001","71.857","0.001","1067.06","0.02","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C24 H14 B Cl2 F2 N3 O S -","- C24 H14 B Cl2 F2 N3 O S -","- C48 H28 B2 Cl4 F4 N6 O2 S2 -","2","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0836","0.084","","","","","","1.066","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570069","15.5988","0.0005","8.2297","0.0004","12.1249","0.0006","90","","101.812","0.004","90","","1523.56","0.12","295","7","295","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F4 N2 O -","- C16 H12 F4 N2 O -","- C64 H48 F16 N8 O4 -","4","1","","Wang, Tao; Zong, Yuan-Yuan; Huang, Tao; Jin, Xiao-Ling; Wu, Li-Zhu; Liu, Qiang","Photocatalytic redox-neutral selective single C(sp<sup>3</sup>)-F bond activation of perfluoroalkyl iminosulfides with alkenes and water.","Chemical science","2023","14","41","11566","11572","10.1039/d3sc03771a","","x-ray","1.54184","CuKα","","0.1317","0.0722","","","0.2044","0.2354","","","","","","1.307","","","","has coordinates","287292","2023-11-06","06:39:17",""
"1570070","7.8066","0.0001","9.8765","0.0002","16.3671","0.0003","90","","92.361","0.001","90","","1260.86","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C60 H36 F4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0302","0.028","","","0.0786","0.0799","","","","","","1.073","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570071","7.8873","0.0003","9.9771","0.0004","16.0181","0.0007","90","","93.433","0.002","90","","1258.24","0.09","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C60 H36 F4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.104","0.0461","","","0.0961","0.1133","","","","","","1.012","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570072","14.98","0.003","9.8498","0.0017","16.639","0.003","90","","94.86","0.007","90","","2446.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C120 H72 F8 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1106","0.0778","","","0.1921","0.2122","","","","","","1.041","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570073","7.621","0.0001","9.8308","0.0002","17.4204","0.0004","90","","91.107","0.001","90","","1304.9","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Br2 N2 O4 Zn -","- C30 H18 Br2 N2 O4 Zn -","- C60 H36 Br4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0665","0.0507","","","0.1234","0.1323","","","","","","1.05","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570074","7.6348","0.0001","9.8825","0.0002","17.0598","0.0004","90","","90.083","0.001","90","","1287.18","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cl2 N2 O4 Zn -","- C30 H18 Cl2 N2 O4 Zn -","- C60 H36 Cl4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0426","0.0349","","","0.0975","0.1029","","","","","","1.048","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570075","7.7941","0.0007","19.473","0.0018","16.6246","0.0012","90","","91.402","0.003","90","","2522.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br N2 O4 Zn -","- C30 H19 Br N2 O4 Zn -","- C120 H76 Br4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1259","0.0848","","","0.2115","0.2387","","","","","","1.039","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570076","7.5498","0.0003","9.7529","0.0003","17.1831","0.0006","90","","91.296","0.001","90","","1264.91","0.08","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cl2 N2 O4 Zn -","- C30 H18 Cl2 N2 O4 Zn -","- C60 H36 Cl4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1778","0.0534","","","0.0872","0.1093","","","","","","0.986","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570077","7.7774","0.0002","19.6561","0.0005","16.5227","0.0004","90","","91.553","0.001","90","","2524.95","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N2 O4 Zn -","- C30 H19 Cl N2 O4 Zn -","- C120 H76 Cl4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0575","0.0521","","","0.1579","0.1622","","","","","","1.084","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570078","7.5558","0.0002","9.7064","0.0002","17.3881","0.0004","90","","92.212","0.001","90","","1274.29","0.05","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Br2 N2 O4 Zn -","- C30 H18 Br2 N2 O4 Zn -","- C60 H36 Br4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0588","0.0441","","","0.1172","0.1435","","","","","","1.113","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570079","7.5165","0.0002","21.9107","0.0006","15.9258","0.0004","90","","90","","90","","2622.85","0.12","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H34 Cl4 N4 O8 Zn2 -","- C60 H34 Cl4 N4 O8 Zn2 -","- C120 H68 Cl8 N8 O16 Zn4 -","2","0.25","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1043","0.0988","","","0.3606","0.3735","","","","","","1.819","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570080","7.6189","0.0002","19.5052","0.0006","16.425","0.0005","90","","91.019","0.001","90","","2440.5","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 F N2 O4 Zn -","- C30 H19 F N2 O4 Zn -","- C120 H76 F4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0551","0.0525","","","0.1415","0.1432","","","","","","1.15","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570081","5.99937","0.0001","7.77287","0.00015","11.90456","0.00017","90.8904","0.0014","95.3034","0.0013","100.967","0.0015","542.354","0.016","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C22 H30 N2 O4 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0333","0.0321","","","0.0826","0.0835","","","","","","1.087","","","","has coordinates","288737","2024-01-06","07:20:20",""
"1570082","6.3363","0.0002","21.0331","0.0007","8.3324","0.0002","90","","95.395","0.003","90","","1105.56","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0438","0.0417","","","0.1036","0.105","","","","","","1.059","","","","has coordinates","288737","2024-01-06","07:20:32",""
"1570083","5.5464","0.0006","11.0627","0.001","11.4651","0.0008","70.025","0.007","84.92","0.008","76.652","0.009","643.26","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Br Cl N3 O2 S -","- C9 H13 Br Cl N3 O2 S -","- C18 H26 Br2 Cl2 N6 O4 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0876","0.079","","","0.1741","0.1791","","","","","","1.085","","","","has coordinates,has disorder","288737","2024-01-06","07:20:35",""
"1570084","5.8837","0.0001","9.301","0.0001","14.8817","0.0002","72.84","0.001","81.889","0.001","75.062","0.001","749.973","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C32 H42 N2 O6 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0407","0.0384","","","0.0996","0.1014","","","","","","1.07","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570085","6.1241","0.0002","8.1468","0.0002","11.8684","0.0004","95.121","0.003","91.181","0.003","105.039","0.003","568.98","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N O S -","- C12 H17 N O S -","- C24 H34 N2 O2 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0394","0.038","","","0.0972","0.0985","","","","","","1.048","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570086","14.1503","0.0002","19.7477","0.0004","25.7609","0.0004","90","","90","","90","","7198.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H53 N O2 S -","- C35 H53 N O2 S -","- C280 H424 N8 O16 S8 -","8","2","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0737","0.0698","","","0.1556","0.1577","","","","","","1.062","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570087","12.3174","0.0006","13.2142","0.0006","33.891","0.002","98.9882","0.0012","92.331","0.002","98.306","0.002","5380.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) thiophene","SQ2Th","","- C108.27 H130.17 B2 Cl2.73 N12 O5.63 S Zn2 -","- C108.269 H130.173 B2 Cl2.728 N12 O5.635 S Zn2 -","- C216.538 H260.346 B4 Cl5.456 N24 O11.27 S2 Zn4 -","2","1","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0912","0.0893","","","0.2304","0.2313","","","","","","1.092","","","","has coordinates,has disorder","288078","2023-12-06","14:29:56",""
"1570088","11.4225","0.0003","14.9204","0.0004","19.1678","0.0005","86.948","0.001","83.922","0.001","73.176","0.001","3108.46","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) bithiophene","SQ2Th2","","- C117.02 H147.5 B2 Cl7.14 N12 O9.19 S2 Zn2 -","- C117.024 H147.5 B2 Cl7.144 N12 O9.192 S2 Zn2 -","- C117.024 H147.5 B2 Cl7.144 N12 O9.192 S2 Zn2 -","1","0.5","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0461","0.0418","","","0.1154","0.1194","","","","","","1.027","","","","has coordinates,has disorder","288078","2023-12-06","14:29:57",""
"1570089","13.953","0.0004","19.5674","0.0005","25.3044","0.0006","73.786","0.001","89.414","0.001","76.8","0.001","6448","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) terthiophene","SQ2Th3","","- C116.41 H126.41 B2 Cl19.23 N12 O4 S3 Zn2 -","- C116.408 H126.408 B2 Cl19.224 N12 O4 S3 Zn2 -","- C232.816 H252.816 B4 Cl38.448 N24 O8 S6 Zn4 -","2","1","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0639","0.0562","","","0.1486","0.1552","","","","","","1.033","","","","has coordinates,has disorder","288078","2023-12-06","14:29:57",""
"1570090","20.1526","0.00014","20.1526","0.00014","20.1526","0.00014","90","","90","","90","","8184.52","0.1","100","0.1","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C5 H4 N2 O2.25 Zn -","- C5.001 H4.0008 N2.0004 O2.2504 Zn -","- C160.032 H128.026 N64.0128 O72.0128 Zn32 -","32","0.166667","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0565","0.0552","","","0.1514","0.1527","","","","","","1.098","","","","has coordinates,has disorder","287304","2023-11-06","06:49:36",""
"1570091","20.1868","0.0004","20.1868","0.0004","20.1868","0.0004","90","","90","","90","","8226.3","0.3","100","0.1","100","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C160.03 H32.01 F96.02 N64.01 O72.01 Zn32 -","- C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32 -","- C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32 -","1","0.00520833","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0651","0.0642","","","0.1772","0.1786","","","","","","1.113","","","","has coordinates,has disorder","287304","2023-11-06","06:49:47",""
"1570092","20.1167","0.0005","20.1167","0.0005","20.1167","0.0005","90","","90","","90","","8140.9","0.4","100","0.4","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4 H2 N2 O2.25 Zn -","- C4.0008 H2.0004 N2.0004 O2.2504 Zn -","- C128.026 H64.0128 N64.0128 O72.0128 Zn32 -","32","0.166667","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0733","0.0672","","","0.1823","0.1921","","","","","","1.07","","","","has coordinates,has disorder","287304","2023-11-06","06:50:05",""
"1570093","10.7338","0.0008","10.8127","0.0008","11.6585","0.0009","98.341","0.003","100.448","0.003","115.303","0.003","1164.7","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cr N2 O8 -","- C25 H27 Cr N2 O8 -","- C50 H54 Cr2 N4 O16 -","2","1","","Stühler, Merlin R.; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Ring-opening terpolymerisation of phthalic thioanhydride with carbon dioxide and epoxides","Polymer Chemistry","2023","14","42","4848","4855","10.1039/D3PY01022H","","","0.71073","MoKα","","0.0607","0.0506","","","0.1328","0.1391","","","","","","1.042","","","","has coordinates","287426","2023-11-06","08:32:08",""
"1570096","12.6847","0.0003","5.8648","0.0002","23.2236","0.0005","90","","93.284","0.002","90","","1724.84","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexafluorobenzene:pyrrole","","- C34 H20 F18 N4 -","- C34 H20 F18 N4 -","- C68 H40 F36 N8 -","2","0.5","LT5060","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0701","0.0605","","","0.1594","0.1669","","","","","","1.051","","","","has coordinates,has disorder","286893","2023-10-11","02:21:03",""
"1570097","5.8577","0.0001","10.4534","0.0002","17.3482","0.0003","90","","90","","90","","1062.28","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","pyridine:hexafluorobenzene","","- C11 H5 F6 N -","- C11 H5 F6 N -","- C44 H20 F24 N4 -","4","1","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0429","0.0346","","","0.0929","0.0983","","","","","","1.065","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570098","6.3499","0.0004","7.2178","0.0005","7.3804","0.0005","108.087","0.007","93.949","0.006","98.796","0.006","315.32","0.04","160","","160","","","","","","","","","3","P -1","-P 1","2","","p-xylene:pentafluorobenzene","","- C14 H11 F5 -","- C14 H11.002 F4.998 -","- C14 H11.002 F4.998 -","1","0.5","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0692","0.0617","","","0.1742","0.1894","","","","","","1.156","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570099","10.2296","0.0005","8.7819","0.0005","14.6776","0.0007","106.811","0.005","80.111","0.004","97.168","0.004","1239.51","0.12","120","","120","","","","","","","","","3","I -1","-I 1","2","","p-xylene:pentafluorobenzene","","- C14 H11 F5 -","- C14 H11.001 F4.999 -","- C56 H44.004 F19.996 -","4","","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.077","0.0685","","","0.201","0.2184","","","","","","1.092","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570100","15.1769","0.0004","5.8576","0.0002","25.2717","0.0007","90","","90","","90","","2246.66","0.12","108","3","108","3","","","","","","","","2","P b c a","-P 2ac 2ab","61","1-Methyl-3-(2-naphthyl)cyclopentadiene","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","1","ZL4062","Michailidis, Melina; Bonitatibus Jr, Peter J.","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","IUCrData","2023","8","10","","","10.1107/S2414314623008568","","x-ray","1.54184","CuKα","","0.0612","0.0536","","","0.1357","0.1411","","","","","","1.057","","","","has coordinates","286895","2023-10-11","02:22:43",""
"1570101","7.5487","0.0001","11.1741","0.0002","18.1225","0.0003","90","","90","","90","","1528.63","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Liu, Juan; Du, Yi-Ying; He, Yu-Shi; Liang, Yan; Liu, Shang-Zhong; Li, Yi-Yi; Cao, Yi-Ming","Parallel kinetic resolution of aziridines <i>via</i> chiral phosphoric acid-catalyzed apparent hydrolytic ring-opening.","Chemical science","2023","14","43","12152","12159","10.1039/d3sc03899h","","","1.54178","CuKα","","0.0444","0.0429","","","0.1097","0.111","","","","","","1.089","","","","has coordinates","288730","2024-01-06","07:18:06",""
"1570102","12.9872","0.0008","12.2112","0.0007","10.7243","0.0006","90","","91.52","0.002","90","","1700.16","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 B Cl N -","- C7 H15 B Cl N -","- C56 H120 B8 Cl8 N8 -","8","2","","Zhang, Zhi-Qi; Wang, Cheng-Qiang; Li, Long-Ji; Piper, Jared L.; Peng, Zhi-Hui; Ma, Jun-An; Zhang, Fa-Guang; Wu, Jie","Programmable synthesis of difluorinated hydrocarbons from alkenes through a photocatalytic linchpin strategy.","Chemical science","2023","14","41","11546","11553","10.1039/d3sc03951j","","","0.71073","MoKα","","0.0438","0.0406","","","0.1082","0.1112","","","","","","1.06","","","","has coordinates","287293","2023-11-06","06:40:02",""
"1570103","15.6195","0.0003","5.8808","0.0001","22.113","0.0004","90","","106.446","0.002","90","","1948.09","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Guo, Yuan-Yang; Tian, Ze-Hua; Ma, ChunHua; Han, Yu-Chen; Bai, DaChang; Jiang, ZhiYong","Unlocking mild-condition benzene ring contraction using nonheme diiron <i>N</i>-oxygenase.","Chemical science","2023","14","42","11907","11913","10.1039/d3sc04660e","","","1.54184","CuKα","","0.0557","0.047","","","0.1186","0.125","","","","","","1.055","","","","has coordinates","287299","2023-11-06","06:47:16",""
"1570104","13.949","0.0003","7.204","0.0001","13.9933","0.0002","90","","93.396","0.002","90","","1403.7","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Guo, Yuan-Yang; Tian, Ze-Hua; Ma, ChunHua; Han, Yu-Chen; Bai, DaChang; Jiang, ZhiYong","Unlocking mild-condition benzene ring contraction using nonheme diiron <i>N</i>-oxygenase.","Chemical science","2023","14","42","11907","11913","10.1039/d3sc04660e","","","1.54184","CuKα","","0.0801","0.0716","","","0.2156","0.223","","","","","","1.097","","","","has coordinates","287299","2023-11-06","06:47:16",""
"1570105","7.3836","0.0002","17.6933","0.0006","18.4913","0.0006","90","","90","","90","","2415.71","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Wang, Cong-Shuai; Xiong, Qi; Xu, Hui; Yang, Hao-Ran; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Organocatalytic atroposelective synthesis of axially chiral <i>N</i>,<i>N</i>'-pyrrolylindoles <i>via de novo</i> indole formation.","Chemical science","2023","14","43","12091","12097","10.1039/d3sc03686c","","x-ray","1.54178","CuKα","","0.036","0.0317","","","0.0883","0.0924","","","","","","1.086","","","","has coordinates","288079","2023-12-06","14:30:03",""
"1570106","2.9405","0.0015","2.9405","0.0015","2.9405","0.0015","90","","90","","90","","25.43","0.02","299","2","299","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Aluminium copper iron","","- Al0.88 Cu0.94 Fe0.18 -","- Al0.88 Cu0.92 Fe0.2 -","- Al0.88 Cu0.92 Fe0.2 -","1","0.0208333","HB4450","Liu, Yibo; Liu, Huizi; Wen, Bin; Fan, Changzeng","Al0.88Cu0.94Fe0.18","IUCrData","2023","8","10","","","10.1107/S2414314623008702","","","0.71073","MoKα","","0.0133","0.0133","","","0.0306","0.0306","","","","","","1.442","","","","has coordinates,has disorder","286958","2023-10-13","02:31:42",""
"1570107","6.9972","0.0002","6.9972","0.0002","50.27","0.002","90","","90","","120","","2131.51","0.12","","","298","","","","100","","","","","10","R -3 m :H","-R 3 2""","166","(Na1.72Sr0.70Mg0.56Ca0.01)(Sr1.32Ba0.68)(Al9.82Mg0.18)P3.99O16F16.21(OH)9.79","","gunmaite","- Al9.82 Ba0.68 Ca0.01 F16.21 H9.79 Mg0.74 Na1.72 O25.79 P3.99 Sr2.02 -","- Al10 Ba0.68 F14 H12 Mg0.57 Na1.65 O28 P4 Sr2.01 -","- Al30 Ba2.04 F42 H36 Mg1.71 Na4.95 O84 P12 Sr6.03 -","3","0.0833333","","Nishio-Hamane, D.; Yajima, T.; Ikari, I.; Ohki, Y.; Hori, H.; Ohara, Y.","Kiryuite and gunmaite, two new minerals from Tsukubara, Kiryu City, Gunma Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2023","","","1","12","10.2465/jmps.230605","","","","","","","","","","","","","","","","","","","","","has coordinates","286959","2023-10-13","07:32:19",""
"1570108","5.2289","0.0004","14.2548","0.0009","5.4291","0.0004","90","","90","","90","","404.67","0.05","","","298","","","","126000000","","","","","3","P n 21 a","P -2ac -2n","33","Ca2Fe2O5 high-pressure phase at 12.6 GPa","","high-pressure form of srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","1","","Kuwamura, R.; Takagi, S.; Kyono, A.","Pressure-induced phase transition of oxygen defective perovskite srebrodolskite Ca2Fe2O5 @ 12.6 GPa","Journal of Mineralogical and Petrological Sciences","2023","","","1","9","10.2465/jmps.230422","","","","","","","","","","","","","","","","","","","","","has coordinates","286960","2023-10-13","08:06:34",""
"1570109","20.003","0.0017","19.6485","0.0016","33.29","0.003","90","","95.12","0.002","90","","13031.7","1.9","301.6","","301.6","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu57 F2 O42 P6 V6 -","- C180 H288 Cu57 F2 O42 P6 V6 -","- C360 H576 Cu114 F4 O84 P12 V12 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1128","0.0643","","","0.1623","0.1967","","","","","","1.049","","","","has coordinates,has disorder","288724","2024-01-06","07:15:52",""
"1570110","20.1642","0.0004","20.1642","0.0004","100.293","0.003","90","","90","","120","","35315.3","1.4","273.15","","273.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C132 H218 Cu37 O53 P6 V12 -","- C132 H218 Cu37 O53 P6 V12 -","- C792 H1308 Cu222 O318 P36 V72 -","6","0.333333","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1191","0.0671","","","0.129","0.1449","","","","","","0.976","","","","has coordinates","288724","2024-01-06","07:15:53",""
"1570111","20.0446","0.0006","19.6458","0.0006","33.3122","0.001","90","","95.159","0.001","90","","13064.9","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu57 F2 O42 P6 V6 -","- C180 H288 Cu57 F2 O42 P6 V6 -","- C360 H576 Cu114 F4 O84 P12 V12 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1686","0.0925","","","0.1752","0.1984","","","","","","1.1","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570112","17.803","0.012","20.26","0.03","25.068","0.018","89.93","0.03","76.441","0.012","63.93","0.02","7842","14","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C252 H330 Cu56 O40 P10 -","- C252 H330 Cu56 O40 P10 -","- C252 H330 Cu56 O40 P10 -","1","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","","0.71073","MoKα","","0.1626","0.0995","","","0.2653","0.3312","","","","","","1.017","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570113","33.9064","0.0018","29.8892","0.0015","25.6843","0.0013","90","","99.145","0.001","90","","25699","2","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192 H264 Cu56 F Na O48 P12 -","- C192 H264 Cu56 F Na O48 P12 -","- C768 H1056 Cu224 F4 Na4 O192 P48 -","4","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.2533","0.0976","","","0.1866","0.2389","","","","","","0.959","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570114","33.03","0.002","22.4133","0.0015","35.97","0.003","90","","97.72","0.002","90","","26388","3","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C180 H288 Cu56 F K O42 P12 -","- C180 H288 Cu56 F K O42 P12 -","- C720 H1152 Cu224 F4 K4 O168 P48 -","4","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1989","0.1045","","","0.1961","0.2293","","","","","","1.082","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570115","19.933","0.002","20.066","0.003","20.977","0.003","64.034","0.003","64.514","0.003","74.588","0.003","6778.3","1.6","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C216 H276 Cu56 F Na O48 P12 -","- C216 H276 Cu56 F Na O48 P12 -","- C216 H276 Cu56 F Na O48 P12 -","1","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.2543","0.0841","","","0.1866","0.2534","","","","","","0.954","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570116","20.0489","0.0007","19.6875","0.0006","33.1286","0.001","90","","94.766","0.001","90","","13031.1","0.7","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu56 F Na O42 P12 -","- C180 H288 Cu56 F Na O42 P12 -","- C360 H576 Cu112 F2 Na2 O84 P24 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1638","0.0676","","","0.1645","0.2085","","","","","","1.023","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570117","16.5349","0.0016","10.5849","0.0009","15.6632","0.0012","90","","115.113","0.008","90","","2482.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 Ir O2 P2 -","- C22 H39 Ir O2 P2 -","- C88 H156 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","x-ray","0.7107","MoKα","","0.0421","0.0288","","","0.0609","0.0674","","","","1.33","1.33","1.32","","","","has coordinates","288734","2024-01-06","07:19:02",""
"1570118","10.644","0.009","10.798","0.005","16.58","0.008","88.31","","84.52","0.02","68.64","","1766.6","1.9","40","2","40","2","","","","","","","","7","P -1","-P 1","2","(p-MeOOC-[2,6-(tBu2PO)2-C6H3])IrH2-IC6F5","","","- C30 H43 F5 I Ir O4 P2 -","- C30 H43 F5 I Ir O4 P2 -","- C60 H86 F10 I2 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.1772","0.1648","","","0.3783","0.3869","","","","","","1.608","","","","has coordinates","288734","2024-01-06","07:19:02",""
"1570119","16.656","0.009","10.538","0.005","15.607","0.008","90","","114.75","0.02","90","","2488","2","10","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.0988","0.0962","","","0.2382","0.2426","","","","","","1.037","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570120","16.639","0.009","10.593","0.005","15.698","0.008","90","","114.88","0.02","90","","2510","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.1044","0.101","","","0.2501","0.2555","","","","","","1.101","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570121","16.607","0.009","10.791","0.005","15.985","0.008","90","","115.07","0.02","90","","2595","2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.126","0.1241","","","0.307","0.3096","","","","","","1.469","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570122","10.62","0.0002","10.6749","0.0002","16.4369","0.0003","87.8506","0.0015","84.0788","0.0015","68.7007","0.0016","1726.87","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H41 F5 I Ir O4 P2 -","- C30 H41 F5 I Ir O4 P2 -","- C60 H82 F10 I2 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","x-ray","0.71073","MoKα","","0.0421","0.031","","","0.0637","0.0669","","","","1.47","1.47","1.42","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570123","3.67957","0.00009","12.2687","0.0002","27.5101","0.0005","90","","90","","90","","1241.9","0.04","89.8","0.4","89.8","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 O4 -","- C18 H10 O4 -","- C72 H40 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0519","0.0377","","","0.0917","0.0969","","","","","","1.059","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570124","3.70624","0.00019","9.6097","0.0003","10.9769","0.0004","104.134","0.003","97.329","0.004","100.536","0.003","366.59","0.03","90","0.1","90","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C20 H14 O4 -","1","0.5","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0566","0.0492","","","0.1492","0.1533","","","","","","1.114","","","","has coordinates,has disorder","288731","2024-01-06","07:18:16",""
"1570125","6.17216","0.00005","7.93147","0.00008","14.13554","0.00014","76.8037","0.0008","82.2893","0.0007","87.7961","0.0007","667.609","0.011","89.8","0.4","89.8","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F4 O4 -","- C18 H6 F4 O4 -","- C36 H12 F8 O8 -","2","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0533","0.0462","","","0.1464","0.1509","","","","","","1.078","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570126","8.08386","0.00019","6.06732","0.00018","29.2397","0.0008","90","","97.194","0.002","90","","1422.84","0.07","90","0.1","90","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F4 O4 -","- C19 H8 F4 O4 -","- C76 H32 F16 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0779","0.0752","","","0.1564","0.1575","","","","","","1.284","","","","has coordinates,has disorder","288731","2024-01-06","07:18:16",""
"1570127","5.36368","0.00012","46.3905","0.0012","8.9511","0.0002","90","","93.475","0.002","90","","2223.15","0.09","89.9","0.5","89.9","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C8-BIT","3,3?-Dihydroxy-5?-octyl-2-benzo[f]indan-2?-indan-1,1?-dione","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.1019","0.0964","","","0.2036","0.2061","","","","","","1.166","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570128","27.7976","0.0005","4.71068","0.00009","10.7649","0.0002","90","","100.343","0.0018","90","","1386.71","0.05","89.8","0.5","89.8","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 F8 O4 -","- C18 H2 F8 O4 -","- C72 H8 F32 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0841","0.0668","","","0.1438","0.1502","","","","","","1.163","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570129","8.99456","0.00007","6.49263","0.00004","15.52347","0.00011","90","","104.184","0.0008","90","","878.909","0.011","89.9","0.4","89.9","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 O4 -","- C26 H14 O4 -","- C52 H28 O8 -","2","0.5","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","x-ray","0.71073","MoKα","","0.0325","0.0294","","","0.0933","0.0954","","","","","","1.075","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570130","10.0658","0.0001","10.9123","0.0002","11.34","0.0002","112.602","0.001","91.909","0.001","104.218","0.001","1103.3","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C58 H46 N2 O8 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0563","0.0496","","","0.1374","0.1447","","","","","","1.036","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570131","8.5398","0.0003","10.1848","0.0005","16.9463","0.0005","95.502","0.003","95.621","0.003","113.78","0.004","1327.39","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O4 -","- C34 H29 N O4 -","- C68 H58 N2 O8 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0654","0.0619","","","0.1675","0.172","","","","","","1.055","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570132","8.6733","0.0003","17.8722","0.0004","19.6955","0.0005","66.991","0.002","86.552","0.002","87.993","0.002","2804.82","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H50 Br2 O12 -","- C68 H50 Br2 O12 -","- C136 H100 Br4 O24 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0812","0.0746","","","0.2185","0.2223","","","","","","1.096","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570133","20.38188","0.00012","10.2892","0.00005","21.05443","0.00011","90","","90","","90","","4415.39","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C232 H184 N8 O32 -","8","2","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0302","0.0297","","","0.0761","0.0766","","","","","","1.067","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570134","11.939","0.0013","12.0965","0.0011","17.2673","0.0016","103.388","0.008","108.096","0.009","95.332","0.008","2269","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H44 Cl2 N4 O3 -","- C59 H44 Cl2 N4 O3 -","- C118 H88 Cl4 N8 O6 -","2","1","","Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo","Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.","Chemical science","2023","14","43","12246","12254","10.1039/d3sc04264b","","","0.71073","MoKα","","0.127","0.0727","","","0.1914","0.2504","","","","","","1.032","","","","has coordinates,has disorder","288726","2024-01-06","07:16:37",""
"1570135","13.0796","0.0004","32.0909","0.001","13.9618","0.0004","90","","97.426","0.002","90","","5811.1","0.3","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H53 Cl3 N6 O3 -","- C79 H53 Cl3 N6 O3 -","- C316 H212 Cl12 N24 O12 -","4","1","","Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo","Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.","Chemical science","2023","14","43","12246","12254","10.1039/d3sc04264b","","","1.54178","CuKα","","0.1163","0.0947","","","0.2807","0.3027","","","","","","1.263","","","","has coordinates","288726","2024-01-06","07:16:37",""
"1570136","5.156","0.00012","8.6547","0.0003","11.5154","0.0003","93.614","0.002","93.5413","0.0019","102.71","0.002","498.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cu O -","- C1.77778 H3.11111 Cu0.222222 O0.888889 -","- C16 H28 Cu2 O8 -","9","4.5","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","","1.54184","CuKα","","0.0247","0.0246","","","0.0648","0.0649","","","","","","1.05","","","","has coordinates","288827","2024-01-06","08:31:39",""
"1570137","14.3866","0.0006","15.9472","0.0009","17.1521","0.0008","65.732","0.005","77.128","0.004","67.802","0.005","3310.9","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H193 Cu4 N16 O32 -","- C112 H193 Cu4 N16 O32 -","- C112 H193 Cu4 N16 O32 -","1","0.5","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.0814","0.0637","","","0.1767","0.1863","","","","","","1.111","","","","has coordinates,has disorder","288827","2024-01-06","08:31:49",""
"1570138","17.105","0.0004","17.4308","0.0006","18.9701","0.0006","63.412","0.003","86.315","0.002","76.256","0.003","4907.3","0.3","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H162 Cu2 N8 O16 -","- C88 H162 Cu2 N8 O16 -","- C176 H324 Cu4 N16 O32 -","2","1","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.1186","0.103","","","0.263","0.2727","","","","","","1.098","","","","has coordinates","288827","2024-01-06","08:31:53",""
"1570139","8.069","0.0003","13.7637","0.0005","16.3101","0.0005","70.036","0.003","89.552","0.003","89.76","0.003","1702.48","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C11 H10 Cu N O -","- C7.71429 H12.8571 Cu0.857143 N0.857143 O4.28571 -","- C54 H90 Cu6 N6 O30 -","7","7","","Boudie, Claire; Maréchal, Manuel; Ah-Lung, Guillaume; Jacquemin, Johan; Nockemann, Peter","Tuneable-by-design copper oxide nanoparticles in ionic liquid nanofluids.","Nanoscale","2023","15","45","18423","18434","10.1039/d3nr04159j","","x-ray","1.54184","CuKα","","0.0355","0.0347","","","0.0898","0.0907","","","","","","1.052","","","","has coordinates","288827","2024-01-06","08:32:04",""
"1570140","7.7425","0.0015","8.7545","0.0018","18.745","0.004","101.445","0.007","91.78","0.006","93.333","0.006","1242","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","SS-P4-3a","","- C2.08 H2.24 N0.32 O0.48 -","- C2.08 H2.24 N0.32 O0.48 -","- C52 H56 N8 O12 -","25","12.5","","Singh, Swati; Chakrabortty, Gopal; Raha Roy, Sudipta","Skeletal rearrangement through photocatalytic denitrogenation: access to C-3 aminoquinolin-2(1<i>H</i>)-ones.","Chemical science","2023","14","44","12541","12547","10.1039/d3sc04447e","","","0.71073","MoKα","","0.1437","0.063","","","0.1615","0.2106","","","","","","1.023","","","","has coordinates","288722","2024-01-06","07:14:45",""
"1570141","10.2464","0.0016","14.259","0.002","13.0316","0.0019","90","","103.321","0.004","90","","1852.7","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B2 I2 N5 -","- C12 H23 B2 I2 N5 -","- C48 H92 B8 I8 N20 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","1.0402","synchrotron","","0.1085","0.0778","","","0.2051","0.2213","","","","","","1.017","","","","has coordinates","288727","2024-01-06","07:16:51",""
"1570142","7.6116","0.0005","7.7121","0.0007","10.8808","0.0007","102.544","0.007","91.351","0.005","112.43","0.007","572.28","0.08","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 B2 I2 N4 -","- C6 H8 B2 I2 N4 -","- C12 H16 B4 I4 N8 -","2","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.71073","MoKα","","0.0379","0.0294","","","0.0721","0.0744","","","","","","1.037","","","","has coordinates","288727","2024-01-06","07:16:55",""
"1570143","15.8673","0.0012","11.135","0.0008","15.4788","0.0011","90","","98.15","0.004","90","","2707.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 B2 I N6 -","- C9 H11 B2 I N6 -","- C72 H88 B16 I8 N48 -","8","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.71073","MoKα","","0.0845","0.0752","","","0.171","0.1755","","","","","","1.346","","","","has coordinates","288727","2024-01-06","07:17:09",""
"1570144","11.6629","0.0009","8.3625","0.0007","19.7736","0.0018","90","","90","","90","","1928.5","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H24 B2 N6 -","- C20 H24 B2 N6 -","- C80 H96 B8 N24 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.6889","synchrotron","","0.0692","0.054","","","0.1396","0.1483","","","","","","0.983","","","","has coordinates","288727","2024-01-06","07:17:13",""
"1570145","8.7351","0.0007","19.5191","0.0017","26.799","0.002","90","","97.543","0.008","90","","4529.7","0.6","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H72 Cl4 N4 O2 S4 -","- C98 H58 Cl4 N4 O2 S4 -","- C196 H116 Cl8 N8 O4 S8 -","2","0.5","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54184","CuKα","","0.3004","0.162","","","0.3196","0.4253","","","","","","0.867","","","","has coordinates","288813","2024-01-06","08:18:38",""
"1570146","24.082","0.002","57.855","0.006","13.8091","0.0011","90","","104.745","0.004","90","","18606","3","100","","103","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H28 Br Cl4 N8 O3 S5 -","- C62.5 H28 Br Cl4 N8 O3 S5 -","- C500 H224 Br8 Cl32 N64 O24 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54178","CuKα","","0.2127","0.1834","","","0.4215","0.4439","","","","","","0.888","","","","has coordinates","288813","2024-01-06","08:18:44",""
"1570147","26.6758","0.0017","22.3323","0.0015","29.799","0.002","90","","105.664","0.003","90","","17093","2","102","2","102","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H28 Cl4 N8 O2 S5 -","- C62 H28 Cl4 N8 O2 S5 -","- C496 H224 Cl32 N64 O16 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54178","CuKα","","0.1593","0.1394","","","0.3733","0.3904","","","","","","1.06","","","","has coordinates","288813","2024-01-06","08:18:55",""
"1570148","11.4138","0.0019","18.519","0.004","20.916","0.003","97.168","0.011","104.322","0.009","107.723","0.008","3983.3","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H56 Cl4 N8 O3 S5 -","- C77 H56 Cl4 N8 O3 S5 -","- C154 H112 Cl8 N16 O6 S10 -","2","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.34139","GaKα","","0.194","0.1532","","","0.3562","0.3802","","","","","","0.98","","","","has coordinates","288813","2024-01-06","08:18:58",""
"1570149","24.068","0.005","59.021","0.012","13.648","0.003","90","","101.855","0.009","90","","18974","7","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60.83 H25.65 Br1.67 Cl4 N8 O2 S5 -","- C59.8333 H23.6146 Br1.6666 Cl4 N8 O2 S5 -","- C478.666 H188.917 Br13.3328 Cl32 N64 O16 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.34139","GaKα","","0.2202","0.1901","","","0.4027","0.4162","","","","","","0.985","","","","has coordinates,has disorder","288813","2024-01-06","08:19:09",""
"1570150","12.5553","0.0004","14.6952","0.0004","16.332","0.0005","82.201","0.001","85.712","0.001","75.234","0.001","2884.29","0.15","170","2","170","","","","","","","","","7","P -1","-P 1","2","","","","- C116 H154 F2 N2 O4 S12 Si2 -","- C116 H154 F2 N2 O4 S12 Si2 -","- C116 H154 F2 N2 O4 S12 Si2 -","1","0.5","","Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo","Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate","Energy & Environmental Science","2023","16","12","5933","5943","10.1039/D3EE02129G","","","0.71073","MoKα","","0.0641","0.0507","","","0.135","0.148","","","","","","1.01","","","","has coordinates,has disorder","288814","2024-01-06","08:19:18",""
"1570151","9.8191","0.0003","14.0215","0.0005","20.6969","0.0007","76.135","0.001","82.232","0.001","80.174","0.001","2712.64","0.16","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H140 Cl2 N2 O2 S12 Si2 -","- C108 H138 Cl2 N2 O2 S12 Si2 -","- C108 H138 Cl2 N2 O2 S12 Si2 -","1","0.5","","Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo","Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate","Energy & Environmental Science","2023","16","12","5933","5943","10.1039/D3EE02129G","","","1.34139","GaKα","","0.0542","0.0508","","","0.1466","0.1501","","","","","","1.024","","","","has coordinates,has disorder","288814","2024-01-06","08:19:18",""
"1570152","5.7751","0.0006","46.275","0.003","7.778","0.0008","90","","90.655","0.01","90","","2078.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C104 H96 N8 S4 -","4","1","","Naithani, Sudhanshu; Goswami, Nidhi; Singh, Sain; Yadav, Vikas; Kumar, Sanjay; Kumar, Pramod; Kumar, Amit; Goswami, Tapas; Kumar, Sushil","Turn-on detection of Al<sup>3+</sup> and Zn<sup>2+</sup> ions by a NSN donor probe: reversibility, logic gates and DFT calculations.","Analytical methods : advancing methods and applications","2023","15","44","6021","6030","10.1039/d3ay01534c","","","1.54184","CuKα","","0.1694","0.1178","","","0.3025","0.3474","","","","","","1.119","","","","has coordinates","288074","2023-12-06","14:03:34",""
"1570153","8.9467","0.0004","10.7344","0.0004","12.9509","0.0005","90","","101.742","0.004","90","","1217.74","0.09","169.98","0.1","170.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl F8 N O2 S -","- C8 H4 Cl F8 N O2 S -","- C32 H16 Cl4 F32 N4 O8 S4 -","4","1","","Yasuo, Eisuke; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","Fluoroalkylated hypervalent sulfur fluorides: radical addition of arylchlorotetrafluoro-λ<sup>6</sup>-sulfanes to tetrafluoroethylene.","Chemical science","2023","14","43","12379","12385","10.1039/d3sc04837c","","","0.71073","MoKα","","0.0639","0.0541","","","0.1321","0.1402","","","","","","1.057","","","","has coordinates,has disorder","288725","2024-01-06","07:16:26",""
"1570154","7.3414","0.0003","13.5389","0.0005","14.84","0.0006","90","","101.962","0.004","90","","1442.98","0.1","150","0.2","150","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 Au Cl N10 O11 S2 -","- C20 H30 Au Cl N10 O11 S2 -","- C40 H60 Au2 Cl2 N20 O22 S4 -","2","1","","McGarry, Liam F.; El-Zubir, Osama; Waddell, Paul G.; Cucinotta, Fabio; Houlton, Andrew; Horrocks, Benjamin R.","Vesicles, fibres, films and crystals: A low-molecular-weight-gelator [Au(6-thioguanosine)<sub>2</sub>]Cl which exhibits a co-operative anion-induced transition from vesicles to a fibrous metallo-hydrogel.","Soft matter","2023","19","43","8386","8402","10.1039/d3sm01006f","","x-ray","1.54184","CuKα","","0.0486","0.0395","","","0.0878","0.0938","","","","","","1.032","","","","has coordinates","288912","2024-01-06","10:00:56",""
"1570155","10.8268","0.0002","12.5379","0.0002","14.0896","0.0002","87.421","0.001","86.988","0.001","77.089","0.002","1860.58","0.05","100","","99.96","0.14","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C69 H86 B2 Cl6 F8 Ir2 N6 P2 -","2","1","HB4453","Maynard, Aaron; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","IUCrData","2023","8","10","","","10.1107/S2414314623009033","","","0.71073","MoKα","","0.0275","0.0244","","","0.0585","0.0593","","","","","","1.047","","","","has coordinates,has disorder","287052","2023-10-20","02:18:21",""
"1570156","10.0602","0.0013","6.7704","0.0009","14.524","0.002","90","","110.168","0.002","90","","928.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-<i>N</i>-(4-fluorophenyl)acetamide","","- C20 H17 Cl F N3 O2 -","- C20 H17 Cl F N3 O2 -","- C40 H34 Cl2 F2 N6 O4 -","2","1","HB4454","Assila, Hamza; Ameziane El Hassani, Issam; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, MHammed","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-N-(4-fluorophenyl)acetamide","IUCrData","2023","8","10","","","10.1107/S241431462300901X","","","0.71073","MoKα","","0.061","0.0483","","","0.121","0.1308","","","","","","1.03","","","","has coordinates,has disorder","287053","2023-10-20","02:19:43",""
"1570157","11.7058","0.0008","7.2365","0.0005","7.6864","0.0005","90","","96.374","0.002","90","","647.08","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(<i>O</i>-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","","- C4 H16 Cd Cl4 N2 O2 -","- C4 H16 Cd Cl4 N2 O2 -","- C8 H32 Cd2 Cl8 N4 O4 -","2","0.5","WM4199","Tong, Yu-Qiao; Lei, Zi-Qiong; Huang, Bo","Poly[bis(O-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","IUCrData","2023","8","10","","","10.1107/S2414314623008982","","","0.71073","MoKα","","0.0238","0.0231","","","0.0539","0.0543","","","","","","1.072","","","","has coordinates","287054","2023-10-20","02:20:20",""
"1570158","9.478","0.0007","13.1121","0.001","15.943","0.0011","90","","91.183","0.002","90","","1980.9","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 B F3 O P -","- C18 H33 B F3 O P -","- C72 H132 B4 F12 O4 P4 -","4","1","","Leung, Vincent Ming-Yau; Wong, Hong-Chai Fabio; Pook, Chun-Man; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Trialkylphosphonium oxoborates as C(sp<sup>3</sup>)-H oxyanion holes and their application in catalytic chemoselective acetalization.","Chemical science","2023","14","44","12684","12692","10.1039/d3sc03081d","","","0.71073","MoKα","","0.0791","0.0589","","","0.1676","0.1938","","","","","","1.065","","","","has coordinates","288076","2023-12-06","14:29:13",""
"1570159","7.4592","0.0006","11.1811","0.0009","12.5405","0.001","67.082","0.003","73.561","0.003","80.326","0.004","921.98","0.13","110","","110","","","","","","","","","4","P -1","-P 1","2","","tert-butyl 2,2-difluoro-3-hydroxy-3-phenylpropanoate","","- C20 H22 F2 O4 -","- C20 H22 F2 O4 -","- C40 H44 F4 O8 -","2","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.037","0.0348","","","0.0862","0.0877","","","","","","1.052","","","","has coordinates,has disorder","288765","2024-01-06","07:38:23",""
"1570160","29.2415","0.0018","7.5874","0.0005","6.0208","0.0004","90","","90","","90","","1335.82","0.15","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3-Difluoro-5-(4-phenoxyphenyl)dihydrofuran-2(3H)-one","","- C16 H12 F2 O3 -","- C16 H12 F2 O3 -","- C64 H48 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0374","0.0334","","","0.0804","0.082","","","","","","1.051","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570161","31.826","0.003","5.2173","0.0004","8.1338","0.0007","90","","90","","90","","1350.6","0.2","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","DS-393","","- C16 H16 F2 O3 -","- C16 H16 F2 O3 -","- C64 H64 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0392","0.039","","","0.1057","0.1058","","","","","","1.139","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570162","17.1165","0.0005","19.8953","0.0006","20.744","0.0007","89.485","0.002","71.022","0.002","89.93","0.002","6679.9","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","OGB_DS_230316_V_FeBr2","","- C28 H46 Br2 Fe P2 S -","- C28 H46 Br2 Fe P2 S -","- C224 H368 Br16 Fe8 P16 S8 -","8","4","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0525","0.0481","","","0.1231","0.1266","","","","","","1.024","","","","has coordinates,has disorder","288765","2024-01-06","07:38:23",""
"1570163","11.7527","0.0003","28.5642","0.0006","17.9883","0.0004","90","","106.088","0.001","90","","5802.3","0.2","170","","170","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C124 H176 Al3 O3 U3 -","- C124 H175.5 Al3 O3 U3 -","- C248 H351 Al6 O6 U6 -","2","0.5","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","1.54178","CuKα","","0.0609","0.0609","","","0.1611","0.1611","","","","","","1.199","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570164","9.6007","0.0018","12.037","0.002","16.215","0.003","97.253","0.006","97.094","0.006","99.358","0.007","1814.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Ga O U -","- C39 H56 Ga O U -","- C78 H112 Ga2 O2 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0618","0.0459","","","0.0938","0.0999","","","","","","1.023","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570165","8.7245","0.0007","33.797","0.003","10.1074","0.0008","90","","111.688","0.003","90","","2769.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 O U -","- C30 H44 O U -","- C120 H176 O4 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0327","0.0256","","","0.0557","0.0584","","","","","","1.046","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570166","9.607","0.0004","11.8205","0.0005","16.2324","0.0006","96.772","0.002","97.569","0.002","99.253","0.002","1785.19","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H59 Al O U -","- C39 H59 Al O U -","- C78 H118 Al2 O2 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0364","0.0259","","","0.0489","0.0529","","","","","","1.053","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570167","10.0045","0.0014","18.413","0.003","15.158","0.002","90","","94.813","0.002","90","","2782.5","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 I O U -","- C29 H41 I O U -","- C116 H164 I4 O4 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0339","0.0264","","","0.0603","0.064","","","","","","1.133","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570168","8.9923","0.0012","17.002","0.002","19.547","0.003","108.404","0.004","95.865","0.004","90.279","0.004","2818.6","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 O U -","- C31 H46 O U -","- C124 H184 O4 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.1208","0.0629","","","0.1094","0.1354","","","","","","1.045","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570169","10.0523","0.0008","11.2703","0.0009","14.4867","0.0011","91.227","0.003","106.016","0.003","95.893","0.003","1567.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H50 O2 U -","- C33 H50 O2 U -","- C66 H100 O4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0474","0.0336","","","0.0688","0.0754","","","","","","1.082","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570170","6.4333","0.0002","11.2099","0.0003","15.6487","0.0005","90","","90","","90","","1128.53","0.06","101","3","101","3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F2 N O -","- C11 H14 B F2 N O -","- C44 H56 B4 F8 N4 O4 -","4","1","","Shinde, Ganesh H.; Ghotekar, Ganesh S.; Amombo Noa, Francoise M.; Öhrström, Lars; Norrby, Per-Ola; Sundén, Henrik","Regioselective <i>ortho</i> halogenation of <i>N</i>-aryl amides and ureas <i>via</i> oxidative halodeboronation: harnessing boron reactivity for efficient C-halogen bond installation.","Chemical science","2023","14","46","13429","13436","10.1039/d3sc04628a","","","1.54184","CuKα","","0.1","0.0921","","","0.2193","0.2244","","","","","","1.073","","","","has coordinates,has disorder","288740","2024-01-06","07:21:52",""
"1570171","6.748","0.0007","13.0022","0.0013","10.0405","0.0011","90","","96.872","0.003","90","","874.61","0.16","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","","0.71073","MoKα","","0.0366","0.0314","","","0.0782","0.0816","","","","","","1.017","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570172","6.9574","0.0001","10.4076","0.0002","22.6105","0.0004","90","","90","","90","","1637.22","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0835","0.0847","","","","","","1.063","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570173","6.6884","0.0001","7.0394","0.0002","35.4914","0.0007","90","","90","","90","","1671.02","0.06","172.95","0.13","172.95","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0358","0.034","","","0.0857","0.087","","","","","","1.047","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570174","5.7657","0.0002","8.4827","0.0004","12.1582","0.0005","90","","99.606","0.004","90","","586.3","0.04","571","2","571","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 F O2 -","- C13 H15 F O2 -","- C26 H30 F2 O4 -","2","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0419","0.0387","","","0.1043","0.1069","","","","","","1.128","","","","has coordinates","288720","2024-01-06","07:14:27",""
"1570175","9.6128","0.0003","10.2795","0.0003","12.5045","0.0003","103.159","0.002","96.871","0.002","116.633","0.003","1040.05","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H34 F2 O8 S6 -","- C42 H34 F2 O8 S6 -","- C42 H34 F2 O8 S6 -","1","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0555","0.0531","","","0.1505","0.1541","","","","","","1.054","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570176","9.1305","0.0002","10.8099","0.0001","23.076","0.0003","90","","97.439","0.001","90","","2258.43","0.06","297.96","0.14","297.96","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F2 O4 S2 -","- C24 H20 F2 O4 S2 -","- C96 H80 F8 O16 S8 -","4","2","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","x-ray","1.54184","CuKα","","0.0397","0.0359","","","0.0942","0.0968","","","","","","1.034","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570177","23.2","0.03","10.861","0.013","10.066","0.013","90","","90.07","0.04","90","","2536","6","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-cyclohexyl-3,3-dimethylbutanamide","","- C1.88 H3.61 N0.16 O0.16 -","- C1.88235 H3.60784 N0.156863 O0.156863 -","- C96 H184 N8 O8 -","51","12.75","","Bhardwaj, Varsha; Patel, Ajaykumar M.; Ballabh, Amar","Stimuli responsive gelation of <i>tert</i>-butylacetic acid based LMOGs - applications in remediation of marine oil spills, dye removal and heavy metal sensing.","Soft matter","2023","19","44","8595","8603","10.1039/d3sm00960b","","","0.71073","MoKα","","0.2741","0.0927","","","0.2136","0.3467","","","","","","0.867","","","","has coordinates","288911","2024-01-06","10:00:39",""
"1570178","5.9679","0.0008","9.6419","0.0013","12.2058","0.0016","73.039","0.005","89.8","0.005","81.559","0.005","663.94","0.15","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0631","0.059","","","0.1599","0.1708","","","","","","1.036","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570179","24.9493","0.0004","17.2771","0.0003","10.1867","0.0001","90","","90","","90","","4390.99","0.11","298","2","298","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C72 F8 I4 -","- C72 F8 I4 -","- C288 F32 I16 -","4","0.25","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0554","0.0434","","","0.1103","0.1282","","","","","","1.094","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570180","6.1992","0.0003","9.2122","0.0005","12.9134","0.0007","107.15","0.002","94.642","0.002","97.251","0.002","693.58","0.06","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H5 F4 I2 -","- C14 H5 F4 I2 -","- C28 H10 F8 I4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.055","0.0482","","","0.1146","0.1207","","","","","","1.131","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570181","5.1812","0.0002","15.4603","0.0005","17.4682","0.0006","72.718","0.003","87.214","0.003","81.882","0.003","1322.66","0.08","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H20 F12 I6 -","- C66 H20 F12 I6 -","- C66 H20 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","x-ray","0.6889","synchrotron","","0.0843","0.0698","","","0.1955","0.207","","","","","","1.052","","","","has coordinates,has disorder","288770","2024-01-06","07:39:35",""
"1570182","6.0403","0.0001","12.6794","0.0003","13.4013","0.0004","88.433","0.002","79.59","0.002","84.594","0.002","1004.93","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H5 F8 I2 N2 -","- C20 H5 F8 I2 N2 -","- C40 H10 F16 I4 N4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0656","0.0492","","","0.1466","0.1699","","","","","","1.09","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570183","5.9146","0.0008","9.8631","0.0014","17.982","0.0018","94.026","0.005","97.548","0.005","105.52","0.006","995.9","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H5 F8 I2 N2 -","- C19 H5 F8 I2 N2 -","- C38 H10 F16 I4 N4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.1068","0.0827","","","0.2207","0.2396","","","","","","1.073","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570184","5.7028","0.0006","10.2278","0.0012","14.3969","0.0015","104.396","0.006","97.493","0.005","95.668","0.006","798.86","0.15","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H12 F8 I4 -","- C36 H12 F8 I4 -","- C36 H12 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0889","0.0697","","","0.1745","0.1923","","","","","","1.085","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570185","5.6444","0.0007","5.6487","0.0007","10.5675","0.0013","90.233","0.007","90.118","0.007","100.763","0.008","331","0.07","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0959","0.091","","","0.2171","0.2304","","","","","","1.086","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570186","19.1824","0.0019","5.9202","0.0007","8.9814","0.0009","90","","90.617","0.006","90","","1019.9","0.19","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F4 I2 -","- C24 H12 F4 I2 -","- C48 H24 F8 I4 -","2","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0614","0.0464","","","0.0995","0.1107","","","","","","1.077","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570187","5.8113","0.0002","10.2259","0.0004","13.3298","0.0004","103.652","0.001","92.767","0.002","96.252","0.002","762.93","0.05","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H12 F8 I4 -","- C32 H12 F8 I4 -","- C32 H12 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.095","0.0857","","","0.2115","0.2304","","","","","","1.1","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570188","6.1683","0.0005","15.3618","0.0013","18.546","0.0013","94.961","0.006","93.811","0.006","97.532","0.007","1730.3","0.2","291.9","0.4","291.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C33 H12 F10 I5 -","- C33 H12 F10 I5 -","- C66 H24 F20 I10 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","x-ray","1.54184","CuKα","","0.1268","0.075","","","0.2011","0.2656","","","","","","1.047","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570189","18.6625","0.0003","19.1498","0.0002","19.7834","0.0003","110.096","0.0012","116.08","0.0014","96.0693","0.0011","5680.7","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C228 H126 Ag28.33 Au17.67 Cl4 F24 P2 -","- C228 H126 Ag28.324 Au17.676 Cl4 F24 P2 -","- C228 H126 Ag28.324 Au17.676 Cl4 F24 P2 -","1","0.5","","Li, Yingwei; Stec, Grant J.; Thorarinsdottir, Agnes E.; McGillicuddy, Ryan D.; Zheng, Shao-Liang; Mason, Jarad A.","The role of metal accessibility on carbon dioxide electroreduction in atomically precise nanoclusters.","Chemical science","2023","14","43","12283","12291","10.1039/d3sc04085b","","","0.71073","MoKα","","0.0456","0.0308","","","0.0554","0.0588","","","","","","1.013","","","","has coordinates,has disorder","288728","2024-01-06","07:17:37",""
"1570190","19.1204","0.0002","19.4571","0.0002","19.7081","0.0002","106.533","0.001","101.704","0.001","111.05","0.0011","6166.68","0.15","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C260 H210 Ag27 Au19 Cl4 N4 P2 -","- C260 H210 Ag26.992 Au19.008 Cl4 N4 P2 -","- C260 H210 Ag26.992 Au19.008 Cl4 N4 P2 -","1","0.5","","Li, Yingwei; Stec, Grant J.; Thorarinsdottir, Agnes E.; McGillicuddy, Ryan D.; Zheng, Shao-Liang; Mason, Jarad A.","The role of metal accessibility on carbon dioxide electroreduction in atomically precise nanoclusters.","Chemical science","2023","14","43","12283","12291","10.1039/d3sc04085b","","","0.71073","MoKα","","0.0457","0.0277","","","0.0511","0.0552","","","","","","1.004","","","","has coordinates,has disorder","288728","2024-01-06","07:17:43",""
"1570191","12.2614","0.0001","10.8318","0.0001","14.6297","0.0001","90","","108.523","0.001","90","","1842.36","0.03","99.98","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","","- C30 H48 Cl4 F6 N2 Sn -","- C30 H48 Cl4 F6 N2 Sn -","- C60 H96 Cl8 F12 N4 Sn2 -","2","0.5","TK4096","Song, Xueqing; Li, William","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","IUCrData","2023","8","10","","","10.1107/S2414314623009136","","","1.54184","CuKα","","0.0285","0.0273","","","0.0735","0.0749","","","","","","1.084","","","","has coordinates","287109","2023-10-25","02:25:43",""
"1570198","5.0376","0.0001","9.9157","0.0003","10.6198","0.0003","64.769","0.001","82.129","0.001","87.881","0.001","475.21","0.02","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 F2 I N -","- C9 H6 F2 I N -","- C18 H12 F4 I2 N2 -","2","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0167","0.0157","","","0.0401","0.0405","","","","","","1.026","","","","has coordinates","288082","2023-12-06","14:32:22",""
"1570199","5.0372","0.0001","9.9139","0.0003","10.6213","0.0003","64.766","0.001","82.107","0.001","87.905","0.001","475.11","0.02","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 F2 I N -","- C9 H6 F2 I N -","- C18 H12 F4 I2 N2 -","2","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0177","0.0162","","","0.0362","0.0366","","","","","","1.118","","","","has coordinates","288082","2023-12-06","14:32:26",""
"1570200","8.394","0.0007","18.3051","0.0013","13.1815","0.0009","90","","105.31","0.002","90","","1953.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0951","0.046","","","0.0976","0.1117","","","","","","1.014","","","","has coordinates","288082","2023-12-06","14:32:27",""
"1570201","8.3909","0.0005","18.323","0.0011","13.1994","0.0009","90","","105.33","0.002","90","","1957.2","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.049","0.0359","","","0.0834","0.0894","","","","","","1.071","","","","has coordinates","288082","2023-12-06","14:32:27",""
"1570202","5.929","0.0019","13.676","0.004","20.842","0.006","86.336","0.014","88.961","0.014","85.079","0.015","1680.2","0.9","250","2","250","2","","","","","","","","6","P -1","-P 1","2","CCS-1-407_250K","","","- C35 H34 F3 N3 O8 S -","- C35 H34 F3 N3 O8 S -","- C70 H68 F6 N6 O16 S2 -","2","1","","Corral Suarez, Carlos; Colomer, Ignacio","Trifluoromethylarylation of alkenes using anilines.","Chemical science","2023","14","43","12083","12090","10.1039/d3sc03868h","","","0.71073","MoKα","","0.0856","0.0489","","","0.1248","0.1489","","","","","","1.049","","","","has coordinates,has disorder","288733","2024-01-06","07:18:44",""
"1570203","8.5802","0.0009","19.2499","0.0019","15.3566","0.0017","90","","94.856","0.006","90","","2527.3","0.5","260","","260","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","monoclinic","","- C31 H25 B F4 N2 -","- C31 H25 B F4 N2 -","- C124 H100 B4 F16 N8 -","4","1","","Li, Shiqing; Lv, Shihai; Yang, Yanyan; Zhu, Peiyan; Zhao, Dongbing; Zeng, Ming-Hua","Mechanistic insights into an NH<sub>4</sub>OAc-promoted imine dance in Rh-catalysed multicomponent double C-H annulations through an N-retention/exchange dual channel.","Chemical science","2023","14","46","13446","13452","10.1039/d3sc03861k","","","1.34139","GaKα","","0.1623","0.12","","","0.3367","0.3513","","","","","","1.116","","","","has coordinates,has disorder","288741","2024-01-06","07:22:03",""
"1570204","10.84837","0.00019","8.49086","0.00012","14.396","0.0003","90","","111.998","0.002","90","","1229.5","0.04","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl-1-(cyanomethyl)-3-phenylcyclobut-2-ene-1-carboxylate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Xiao, Yuanjiu; Xu, Tong-Tong; Zhou, Jin-Lan; Wu, Feng; Tang, Lei; Liu, Ruo-Yi; Wu, Wen-Biao; Feng, Jian-Jun","Photochemical α-selective radical ring-opening reactions of 1,3-disubstituted acyl bicyclobutanes with alkyl halides: modular access to functionalized cyclobutenes.","Chemical science","2023","14","45","13060","13066","10.1039/d3sc04457b","","x-ray","1.54184","CuKα","","0.0507","0.0481","","","0.1412","0.1439","","","","","","1.079","","","","has coordinates","288766","2024-01-06","07:38:30",""
"1570205","34.7885","0.0007","11.2616","0.0002","20.4116","0.0004","90","","123.683","0.002","90","","6654.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cu2 N2 O14 -","- C26 H28 Cu2 N2 O14 -","- C208 H224 Cu16 N16 O112 -","8","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.1005","0.0797","","","0.2317","0.242","","","","","","1.083","","","","has coordinates","288768","2024-01-06","07:39:04",""
"1570206","11.306","0.004","13.0779","0.0004","14.8702","0.0003","90","","90","","108.499","0.002","2085.1","0.7","100","","100","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","","- C21 H23 Cu N O9 -","- C21 H23 Cu N O9 -","- C84 H92 Cu4 N4 O36 -","4","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.0555","0.0485","","","0.1431","0.1483","","","","","","1.088","","","","has coordinates","288768","2024-01-06","07:39:05",""
"1570207","32.415","0.003","23.5559","0.0003","16.0326","0.0002","90","","90","","90","","12241.9","1.2","100","","100","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C23.38 H16 Cu1.23 O7.38 -","- C23.3846 H16 Cu1.23077 O7.38462 -","- C304 H208 Cu16 O96 -","13","0.8125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82653","synchrotron","","0.1156","0.1077","","","0.2922","0.2957","","","","","","1.065","","","","has coordinates","288768","2024-01-06","07:39:05",""
"1570208","12.625","0.003","6.2763","0.0014","14.05","0.003","90","","95.59","0.014","90","","1108","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0744","0.0474","","","0.1097","0.1263","","","","","","1.023","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570209","7.9641","0.0004","20.6944","0.0009","8.0024","0.0004","90","","104.19","0.003","90","","1278.65","0.11","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 O2 -","- C14 H13 F3 O2 -","- C56 H52 F12 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0684","0.056","","","0.1342","0.1424","","","","","","1.036","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570210","18.3768","0.0013","6.9898","0.0004","27.6891","0.0017","90","","103.554","0.007","90","","3457.6","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Cl N O -","- C9 H9 Cl N O -","- C144 H144 Cl16 N16 O16 -","16","2","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.1055","0.0719","","","0.1328","0.1447","","","","","","1.106","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570211","9.5011","0.0014","11.9938","0.0015","11.5637","0.0017","90","","109.29","0.007","90","","1243.8","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C56 H60 F4 O12 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0675","0.0473","","","0.1199","0.1367","","","","","","1.046","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570212","10.9193","0.0006","18.5629","0.0012","9.7993","0.0005","90","","115.272","0.003","90","","1796.16","0.18","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 F2 N3 O -","- C18 H17 Cl2 F2 N3 O -","- C72 H68 Cl8 F8 N12 O4 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0535","0.0404","","","0.0969","0.1041","","","","","","1.059","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570213","12.23","0.0009","6.3052","0.0005","14.0798","0.001","90","","90.886","0.005","90","","1085.6","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0897","0.0479","","","0.0918","0.1066","","","","","","1.019","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570215","9.5321","0.0003","9.6051","0.0003","15.298","0.0005","79.403","0.002","76.551","0.002","68.694","0.002","1261.46","0.07","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O5 P S2 -","- C25 H22 N O5 P S2 -","- C50 H44 N2 O10 P2 S4 -","2","1","","Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.","Gold-catalyzed alkenylation and arylation of phosphorothioates.","Chemical science","2023","14","45","13134","13139","10.1039/d3sc04888h","","","1.54178","CuKα","","0.1134","0.0642","","","0.1576","0.189","","","","","","1.022","","","","has coordinates","288769","2024-01-06","07:39:13",""
"1570216","6.1164","0.0002","8.8641","0.0003","34.4839","0.0011","90","","90.615","0.001","90","","1869.48","0.11","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Br O3 P S -","- C20 H16 Br O3 P S -","- C80 H64 Br4 O12 P4 S4 -","4","1","","Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.","Gold-catalyzed alkenylation and arylation of phosphorothioates.","Chemical science","2023","14","45","13134","13139","10.1039/d3sc04888h","","","1.54178","CuKα","","0.0618","0.0379","","","0.1051","0.1944","","","","","","0.873","","","","has coordinates","288769","2024-01-06","07:39:21",""
"1570217","5.2184","0.0016","22.132","0.007","22.185","0.007","77.088","0.007","84.165","0.007","86.306","0.007","2482.2","1.3","303","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C4.09 H5.39 Br0.17 N0.26 O0.52 S0.17 -","- C4.08696 H5.3913 Br0.173913 N0.26087 O0.521739 S0.173913 -","- C94 H124 Br4 N6 O12 S4 -","23","11.5","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.3023","0.1649","","","0.4848","0.5345","","","","","","1.481","","","","has coordinates","288723","2024-01-06","07:14:56",""
"1570218","9.943","0.005","10.798","0.005","17.67","0.009","104.405","0.013","102.771","0.012","91.43","0.013","1785.6","1.5","302","2","302","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Br N O -","- C3.09091 H4 Br0.181818 N0.181818 O0.545455 -","- C68 H88 Br4 N4 O12 -","22","11","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.2519","0.1228","","","0.2796","0.346","","","","","","1.037","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570219","9.6713","0.0003","12.044","0.0004","31.4195","0.0009","90","","90","","90","","3659.8","0.2","301","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.57 H3.32 I0.15 N0.15 O0.45 -","- C2.56604 H3.32075 I0.150943 N0.150943 O0.45283 -","- C136 H176 I8 N8 O24 -","53","13.25","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.0628","0.039","","","0.0795","0.0925","","","","","","1.07","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570220","4.6856","0.0001","16.2628","0.0005","11.3085","0.0004","90","","90.473","0.002","90","","861.69","0.04","157","2","157","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H18 -","- C27 H18 -","- C54 H36 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.0439","0.0405","","","0.105","0.1076","","","","","","1.054","","","","has coordinates,has disorder","288771","2024-01-06","07:40:10",""
"1570221","16.8733","0.0006","15.5281","0.0006","19.2855","0.0007","90","","90","","90","","5053","0.3","140","2","140","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C55 H73 Na O10 -","- C47 H57 Na O8 -","- C188 H228 Na4 O32 -","4","0.5","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.1277","0.0738","","","0.2201","0.2714","","","","","","1.04","","","","has coordinates,has disorder","288771","2024-01-06","07:40:21",""
"1570222","13.6941","0.0002","21.0294","0.0003","22.7326","0.0002","90","","90","","90","","6546.5","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C67 H96 Na2 O16 -","- C67 H96 Na2 O16 -","- C268 H384 Na8 O64 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.2595","0.175","","","0.3973","0.4689","","","","","","1.278","","","","has coordinates","288771","2024-01-06","07:40:24",""
"1570223","20.9133","0.0009","9.6671","0.0003","17.8849","0.0007","90","","112.375","0.0012","90","","3343.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H41 Cs O6 -","- C39 H41 Cs O6 -","- C156 H164 Cs4 O24 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41329","Synchrotron","","0.0294","0.0266","","","0.0542","0.0548","","","","","","1.132","","","","has coordinates,has disorder","288771","2024-01-06","07:40:30",""
"1570224","21.0136","0.001","12.7649","0.0006","21.1357","0.001","90","","118.744","0.002","90","","4970.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Cs2 O12 -","- C51 H64 Cs2 O12 -","- C204 H256 Cs8 O48 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","0.71073","MoKα","","0.0492","0.041","","","0.0731","0.0751","","","","","","1.334","","","","has coordinates,has disorder","288771","2024-01-06","07:40:31",""
"1570225","13.4467","0.0007","15.8867","0.0009","18.3239","0.001","90","","102.386","0.001","90","","3823.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H111 K3 O21 -","- C71 H103 K3 O20 -","- C142 H206 K6 O40 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41328","synchrotron","","0.0953","0.0838","","","0.2536","0.2668","","","","","","1.043","","","","has coordinates,has disorder","288771","2024-01-06","07:40:33",""
"1570226","21.063","0.002","26.187","0.002","17.8488","0.0019","90","","90","","90","","9845","1.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- Co4 Fe2 H92 Na14 O114 W18 -","- Co4 Fe2 Na14 O114 W18 -","- Co16 Fe8 Na56 O456 W72 -","4","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.0819","0.0545","","","0.1078","0.1216","","","","","","1.199","","","","has coordinates","288749","2024-01-06","07:24:28",""
"1570227","12.2859","0.0006","13.663","0.0006","14.9308","0.0006","99.378","0.001","104.187","0.001","101.318","0.002","2323.17","0.18","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- Co4 Fe2 H75 Na14 O105.5 W18 -","- Co4 Fe2 H4 Na14 O105.5 W18 -","- Co4 Fe2 H4 Na14 O105.5 W18 -","1","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.095","0.057","","","0.125","0.1462","","","","","","1.057","","","","has coordinates,has disorder","288749","2024-01-06","07:24:29",""
"1570228","13.063","0.011","17.764","0.015","21.118","0.018","90","","93.152","0.009","90","","4893","7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co5 H82 Na12 O109 W19 -","- Co5 Na12 O109 W19 -","- Co10 Na24 O218 W38 -","2","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","x-ray","0.71073","MoKα","","0.1152","0.057","","","0.1003","0.1167","","","","","","1.02","","","","has coordinates,has disorder","288749","2024-01-06","07:24:29",""
"1570229","26.056","0.003","20.996","0.003","17.747","0.002","90","","90","","90","","9709","2","100","2","100.01","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Co4 Fe2 Na14 O97 W18 -","- Co4 Fe2 Na14 O95 W18 -","- Co16 Fe8 Na56 O380 W72 -","4","1","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.1452","0.0934","","","0.241","0.2896","","","","","","1.032","","","","has coordinates","288749","2024-01-06","07:24:29",""
"1570230","18.302","0.002","18.302","0.002","36.441","0.003","90","","90","","90","","12206","2","100","2","100","2","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","","","- P4 -","- P4 -","- P464 -","116","29","LT5062","Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar","A new polymorph of white phosphorus at ambient conditions","IUCrJ","2023","10","6","766","771","10.1107/S2052252523009247","","","0.71073","MoKα","","0.0393","0.0363","","","0.0818","0.0836","","","","","","1.009","","","","has coordinates","287195","2023-11-01","03:25:38",""
"1570231","18.298","0.002","18.298","0.002","36.408","0.003","90","","90","","90","","12190","2","100","2","100","2","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","","","- P4 -","- P4 -","- P464 -","116","29","LT5062","Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar","A new polymorph of white phosphorus at ambient conditions","IUCrJ","2023","10","6","766","771","10.1107/S2052252523009247","","","0.71073","MoKα","","0.036","0.0338","","","0.0758","0.0768","","","","","","1.127","","","","has coordinates","287195","2023-11-01","03:25:39",""
"1570232","10.125","0.005","11.222","0.005","15.995","0.007","79.117","0.008","83.484","0.009","72.829","0.008","1701.9","1.4","298","2","298","","","","","","","","","5","P -1","-P 1","2","6,7-Diphenyl-5λ^6^-thia-7-azaspiro[2.6]nonane-5,5,8-trione","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","HB4455","Yennawar, Hemant P.; Russell, Michael W.; Silverberg, Lee J.","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","IUCrData","2023","8","10","","","10.1107/S2414314623009379","","","0.71073","MoKα","","0.1567","0.0785","","","0.1678","0.2067","","","","","","0.913","","","","has coordinates","287196","2023-11-01","03:28:32",""
"1570233","12.9649","0.0001","8.2585","0.0001","20.8574","0.0002","90","","106.928","0.001","90","","2136.45","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Rochet, Léa N C; Bahou, Calise; Wojciechowski, Jonathan P.; Koutsopetras, Ilias; Britton, Phyllida; Spears, Richard J.; Thanasi, Ioanna A.; Shao, Baihao; Zhong, Lisha; Bučar, Dejan-Krešimir; Aliev, Abil E.; Porter, Michael J.; Stevens, Molly M.; Baker, James R.; Chudasama, Vijay","Use of pyridazinediones for tuneable and reversible covalent cysteine modification applied to peptides, proteins and hydrogels.","Chemical science","2023","14","47","13743","13754","10.1039/d3sc04976k","","x-ray","1.54184","CuKα","","0.0372","0.0334","","","0.0909","0.0936","","","","","","1.045","","","","has coordinates","288752","2024-01-06","07:25:54",""
"1570234","9.8208","0.0015","11.2664","0.0017","12.0446","0.0018","106.236","0.005","111.51","0.005","97.71","0.006","1147.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","Tetrakis(dimethyl N-cyanodithioiminocarbonate) Bis[(aqua)mu2-hydroxy-n-butyldichloridotin(IV)]","","- C24 H48 Cl4 N8 O4 S8 Sn2 -","- C24 H48 Cl4 N8 O4 S8 Sn2 -","- C24 H48 Cl4 N8 O4 S8 Sn2 -","1","0.5","","Babacar Mbaye; Mouhamadou Birame Diop; Mouhamadou Sembene Boye; Thierry Maris; Aminata Diasse-Sarr; Libasse Diop","Crystal Structure of Tetrakis(dimethyl N-cyanodithioiminocarbonate) Bis[(aqua)mu2-hydroxy-n-butyldichloridotin(IV)]","Journal of Chemical Crystallography","2023","53","","547","554","10.1007/s10870-023-00992-2","","x-ray","1.34139","GaKα","","0.0191","0.0183","","","0.0494","0.05","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","287245","2023-11-02","12:44:30",""
"1570235","10.1488","0.0005","13.7389","0.0007","15.2173","0.0008","68.135","0.002","83.265","0.002","86.091","0.002","1954.89","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F2 O2 S -","- C22 H22 F2 O2 S -","- C88 H88 F8 O8 S4 -","4","2","","Midya, Suparnak; Hari, Durga Prasad","A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.","Chemical science","2023","14","46","13560","13567","10.1039/d3sc04749k","","","0.71073","MoKα","","0.0499","0.0358","","","0.0899","0.0983","","","","","","1.034","","","","has coordinates","288736","2024-01-06","07:20:04",""
"1570236","10.8764","0.001","12.9635","0.0012","12.9906","0.0012","90","","92.134","0.004","90","","1830.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F2 O2 Se -","- C20 H18 F2 O2 Se -","- C80 H72 F8 O8 Se4 -","4","1","","Midya, Suparnak; Hari, Durga Prasad","A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.","Chemical science","2023","14","46","13560","13567","10.1039/d3sc04749k","","","0.71073","MoKα","","0.0296","0.027","","","0.0662","0.0674","","","","","","1.044","","","","has coordinates","288736","2024-01-06","07:20:05",""
"1570237","8.9783","0.0006","11.208","0.0006","15.2381","0.0006","91.733","0.004","97.302","0.005","97.178","0.005","1507.38","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","2","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0765","0.0562","","","0.1562","0.1754","","","","","","1.0116","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570238","11.8893","0.0009","6.3212","0.0005","18.6664","0.0015","90","","92.734","0.007","90","","1401.27","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N S -","- C19 H13 N S -","- C76 H52 N4 S4 -","4","1","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0547","0.0415","","","0.1082","0.1151","","","","","","1.086","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570239","12.4695","0.0008","5.8013","0.0003","17.378","0.001","90","","101.414","0.006","90","","1232.25","0.13","299.22","0.19","299.22","0.19","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 N2 -","- C36 H22 N2 -","- C72 H44 N4 -","2","0.5","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0937","0.0617","","","0.1756","0.2001","","","","","","1.015","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570240","19.1849","0.0011","8.0013","0.0004","21.2949","0.0013","90","","96.72","0.005","90","","3246.4","0.3","100.01","0.13","100.01","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 N2 -","- C48 H30 N2 -","- C192 H120 N8 -","4","1","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0778","0.0557","","","0.1406","0.1627","","","","","","1.086","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570241","9.1808","0.0005","10.1345","0.0005","13.7708","0.0007","80.343","0.001","75.323","0.001","71.008","0.001","1166.89","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O4 -","- C32 H28 O4 -","- C64 H56 O8 -","2","1","","Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng","Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.","Chemical science","2023","14","45","13254","13264","10.1039/d3sc03675h","","","0.71073","MoKα","","0.0468","0.0422","","","0.0924","0.095","","","","","","1.126","","","","has coordinates","288083","2023-12-06","14:32:38",""
"1570242","13.4416","0.0017","16.332","0.002","15.0321","0.0019","90","","99.607","0.004","90","","3253.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 O6 -","- C44 H28 O6 -","- C176 H112 O24 -","4","1","","Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng","Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.","Chemical science","2023","14","45","13254","13264","10.1039/d3sc03675h","","","0.71073","MoKα","","0.0525","0.0376","","","0.0801","0.088","","","","","","1.063","","","","has coordinates","288083","2023-12-06","14:32:39",""
"1570243","6.4862","0.0004","7.9267","0.0007","8.8787","0.0007","80.588","0.007","72.781","0.006","82.059","0.007","428.21","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 S2 -","- C10 H9 S2 -","- C20 H18 S4 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.0862","0.0772","","","0.2116","0.2155","","","","","","1.06","","","","has coordinates","288914","2024-01-06","10:02:26",""
"1570244","6.5057","0.0005","7.9795","0.0008","8.8895","0.0005","80.578","0.007","72.733","0.006","81.783","0.007","432.55","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 S2 -","- C10 H9 S2 -","- C20 H18 S4 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.0991","0.0875","","","0.2609","0.2665","","","","","","1.161","","","","has coordinates","288914","2024-01-06","10:02:35",""
"1570245","5.325","0.0002","13.4178","0.0006","16.3151","0.0004","108.191","0.003","91.312","0.003","99.886","0.004","1087.36","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 S4 -","- C30 H22 S4 -","- C60 H44 S8 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.1102","0.0774","","","0.197","0.2216","","","","","","1.015","","","","has coordinates","288914","2024-01-06","10:02:38",""
"1570246","6.527","0.0005","8.0689","0.001","8.9496","0.0006","79.553","0.008","72.238","0.006","81.345","0.008","439.14","0.07","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 S2 -","- C10 H9 S2 -","- C20 H18 S4 -","2","1","","Bulgarevich, Kirill; Takimiya, Kazuo","Crystal-structure simulation of molecular semiconductors: brickwork-related crystal structures of methylthiolated <i>peri</i>-condensed polycyclic aromatic hydrocarbons.","Materials horizons","2023","10","12","5492","5499","10.1039/d3mh01055d","","x-ray","1.54184","CuKα","","0.0974","0.0772","","","0.2002","0.211","","","","","","1.143","","","","has coordinates","288914","2024-01-06","10:02:49",""
"1570247","5.0471","0.0001","12.5114","0.0003","22.2915","0.0005","90","","90","","90","","1407.63","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0384","0.0332","","","0.0768","0.0794","","","","","","1.046","","","","has coordinates","287433","2023-11-06","15:21:02",""
"1570248","14.9862","0.0002","4.8641","0.0001","20.3991","0.0003","90","","101.697","0.002","90","","1456.1","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C72 H48 N16 O8 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0448","0.0397","","","0.1041","0.1086","","","","","","1.047","","","","has coordinates","287434","2023-11-06","15:21:25",""
"1570249","15.34","0.0004","5.0292","0.0001","16.7042","0.0004","90","","100.545","0.002","90","","1266.93","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0382","0.0346","","","0.0863","0.089","","","","","","1.054","","","","has coordinates","287435","2023-11-06","15:21:50",""
"1570250","16.89752","0.00013","5.76627","0.00004","17.97633","0.00013","90","","113.947","0.0009","90","","1600.77","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0927","0.0939","","","","","","1.053","","","","has coordinates","287436","2023-11-06","15:22:14",""
"1570251","6.0975","0.0002","8.7626","0.0004","14.6204","0.0006","95.01","0.002","100.127","0.001","90.578","0.002","765.8","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Ag N3 O S2 -","- C14 H10 Ag N3 O S2 -","- C28 H20 Ag2 N6 O2 S4 -","2","1","","Altowyan, Mezna Saleh; Fathalla, Eman M.; Albering, Jörg H.; Abu-Youssef, Morsy A. M.; Kassem, Taher S.; Barakat, Assem; Haukka, Matti; Badr, Ahmed M. A.; Soliman, Saied M.","Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers","Inorganics","2023","11","10","417","","10.3390/inorganics11100417","","","0.71073","MoKα","","0.0182","0.0174","","","0.0448","0.045","","","","","","1.078","","","","has coordinates","287437","2023-11-06","19:07:31",""
"1570252","27.2079","0.0009","6.0833","0.0002","7.5732","0.0002","90","","90","","90","","1253.47","0.07","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H9 Ag N2 O S -","- C13 H9 Ag N2 O S -","- C52 H36 Ag4 N8 O4 S4 -","4","1","","Altowyan, Mezna Saleh; Fathalla, Eman M.; Albering, Jörg H.; Abu-Youssef, Morsy A. M.; Kassem, Taher S.; Barakat, Assem; Haukka, Matti; Badr, Ahmed M. A.; Soliman, Saied M.","Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers","Inorganics","2023","11","10","417","","10.3390/inorganics11100417","","","0.71073","MoKα","","0.0244","0.0228","","","0.058","0.0589","","","","","","0.971","","","","has coordinates","287438","2023-11-06","19:07:54",""
"1570253","10.2733","0.0002","10.3627","0.0002","13.3957","0.0003","90","","90","","90","","1426.09","0.05","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0342","0.0325","","","0.0849","0.0869","","","","","","1.066","","","","has coordinates","288742","2024-01-06","07:22:18",""
"1570254","12.4675","0.0009","21.6679","0.0015","9.6367","0.0006","90","","90","","90","","2603.3","0.3","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0393","0.0369","","","0.1008","0.1031","","","","","","1.045","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570255","9.1977","0.0011","9.2073","0.0011","26.829","0.003","90","","90","","90","","2272","0.5","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0362","0.034","","","0.0925","0.0939","","","","","","1.037","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570256","9.1292","0.0006","9.1825","0.0006","26.703","0.0016","90","","90","","90","","2238.5","0.2","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0718","0.0546","","","0.1217","0.1352","","","","","","1.072","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570257","6.7959","0.0002","10.8224","0.0003","22.5827","0.0006","90","","90","","90","","1660.91","0.08","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O7 -","- C15 H26 O7 -","- C60 H104 O28 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.052","0.0456","","","0.1139","0.12","","","","","","1.051","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570258","6.4115","0.0005","6.9501","0.0005","15.4228","0.0012","90","","100.54","0.004","90","","675.65","0.09","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0332","0.032","","","0.0794","0.0807","","","","","","1.059","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570259","10.4619","0.0019","10.6895","0.0019","11.617","0.002","90","","90","","90","","1299.2","0.4","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0455","0.0438","","","0.1129","0.1151","","","","","","1.053","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570260","13.0969","0.0002","13.0969","0.0002","8.2344","0.0002","90","","90","","90","","1412.44","0.05","150","","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0716","0.0716","","","","","","1.07","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570261","12.2867","0.0014","21.497","0.003","9.6289","0.0011","90","","90","","90","","2543.3","0.5","173","2","172.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0282","0.0278","","","0.0728","0.0733","","","","","","1.086","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570262","6.9481","0.0002","15.6259","0.0004","20.1605","0.0004","90","","90","","90","","2188.83","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0353","0.032","","","0.0738","0.0763","","","","","","1.049","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570263","14.1169","0.0007","42.662","0.004","21.4737","0.0017","90","","103.007","0.007","90","","12600.8","1.7","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H198 K2 N2 O31 Si6 U2 -","- C90 H198 K2 N2 O31 Si6 U2 -","- C360 H792 K8 N8 O124 Si24 U8 -","4","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.2142","0.1184","","","0.2749","0.3568","","","","","","1.027","","","","has coordinates","288738","2024-01-06","07:21:15",""
"1570264","18.1765","0.0003","24.9651","0.0005","32.6981","0.0006","90","","90.4373","0.0017","90","","14837.3","0.5","140","0.1","140","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C448 H968 K11.2 N16 O171.2 Si28.8 U10.16 -","4","0.5","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.1323","0.0939","","","0.2434","0.2752","","","","","","1.031","","","","has coordinates,has disorder","288738","2024-01-06","07:21:25",""
"1570265","13.8351","0.0007","31.0417","0.0009","14.2077","0.0006","90","","118.24","0.006","90","","5375.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 K O25 Si6 U2 -","- C72 H162 K O25 Si6 U2 -","- C144 H324 K2 O50 Si12 U4 -","2","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.0693","0.0498","","","0.1094","0.1132","","","","","","0.969","","","","has coordinates,has disorder","288738","2024-01-06","07:21:35",""
"1570266","14.1801","0.0002","29.9313","0.0006","33.7708","0.0006","90","","93.6381","0.0018","90","","14304.4","0.4","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H206 K2.7 N4 O31 Si6 U2 -","- C97 H206 K2.7 N4 O31 Si6 U2 -","- C388 H824 K10.8 N16 O124 Si24 U8 -","4","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.1299","0.0714","","","0.1696","0.2065","","","","","","1.011","","","","has coordinates,has disorder","288738","2024-01-06","07:21:36",""
"1570267","16.3644","0.0003","30.3735","0.0006","32.886","0.0006","111.001","0.0018","94.4333","0.0017","104.113","0.0018","14552.5","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H207 K2 N6 O33 Si5 U2 -","- C96 H207 K2 N6 O33 Si5 U2 -","- C384 H828 K8 N24 O132 Si20 U8 -","4","2","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.1068","0.0588","","","0.1401","0.1538","","","","","","0.928","","","","has coordinates","288738","2024-01-06","07:21:36",""
"1570268","13.35","0.004","13.35","0.004","7.308","0.004","90","","90","","120","","1128","0.8","293","2","293","2","","","","","","","","4","P -3","-P 3","147","Cd5P2SmCl7","","","- Cd5 Cl7 P2 Sm -","- Cd5 Cl7 P2 Sm -","- Cd15 Cl21 P6 Sm3 -","3","0.5","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0786","0.0611","","","0.1643","0.181","","","","","","1.005","","","","has coordinates","288739","2024-01-06","07:21:43",""
"1570269","12.1965","0.0008","13.6691","0.001","7.7077","0.0007","90","","90","","90","","1284.99","0.17","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cd5P2Br4","","","- Br4 Cd5 P2 -","- Br4 Cd5 P2 -","- Br16 Cd20 P8 -","4","1","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0479","0.0451","","","0.132","0.1338","","","","","","0.999","","","","has coordinates","288739","2024-01-06","07:21:44",""
"1570272","7.1985","0.0006","12.3419","0.0009","11.5711","0.0009","90","","103.281","0.003","90","","1000.52","0.14","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H12 Cl3 N8 O4 Ru -","- C12 H12 Cl3 N8 O4 Ru -","- C24 H24 Cl6 N16 O8 Ru2 -","2","0.5","","Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José","Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.","Molecules (Basel, Switzerland)","2023","28","20","7213","","10.3390/molecules28207213","","","0.71073","MoKα","","0.0516","0.0448","","","0.0859","0.0899","","","","","","1.126","","","","has coordinates","287455","2023-11-07","02:57:42",""
"1570273","13.4566","0.0006","11.3171","0.0004","13.7498","0.0006","90","","115.555","0.001","90","","1889.1","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl6 N16 O4 Ru2 -","- C24 H24 Cl6 N16 O4 Ru2 -","- C48 H48 Cl12 N32 O8 Ru4 -","2","1","","Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José","Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.","Molecules (Basel, Switzerland)","2023","28","20","7213","","10.3390/molecules28207213","","","0.71073","MoKα","","0.042","0.0413","","","0.1269","0.1281","","","","","","1.06","","","","has coordinates","287457","2023-11-07","02:58:50",""
"1570274","19.775","0.005","17.494","0.004","14.574","0.004","90","","129.016","0.008","90","","3917.3","1.8","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl2 Mn N6 O -","- C19 H18 Cl2 Mn N6 O -","- C152 H144 Cl16 Mn8 N48 O8 -","8","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.0458","0.0374","","","0.0886","0.0934","","","","","","1.038","","","","has coordinates","287458","2023-11-07","02:59:20",""
"1570275","15.1833","0.0006","13.4972","0.0004","24.4882","0.0009","90","","90","","90","","5018.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H18 F6 Mn N6 O7 S2 -","- C21 H18 F6 Mn N6 O7 S2 -","- C168 H144 F48 Mn8 N48 O56 S16 -","8","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.1078","0.0816","","","0.1761","0.1905","","","","","","1.177","","","","has coordinates","287459","2023-11-07","02:59:47",""
"1570276","8.0555","0.0002","10.3178","0.0002","29.9387","0.0006","90","","93.604","0.001","90","","2483.44","0.09","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 Mn N5 O7 S2 -","- C19 H15 F6 Mn N5 O7 S2 -","- C76 H60 F24 Mn4 N20 O28 S8 -","4","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.069","0.052","","","0.0992","0.1068","","","","","","1.093","","","","has coordinates,has disorder","287460","2023-11-07","03:00:17",""
"1570277","11.82","0.001","12.7584","0.0011","13.3067","0.0013","109.691","0.006","107.464","0.005","99.058","0.005","1726","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H50 Cl6 Mn3 N15 O31 -","- C51 H50 Cl6 Mn3 N15 O31 -","- C51 H50 Cl6 Mn3 N15 O31 -","1","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.0826","0.0693","","","0.1653","0.1757","","","","","","1.034","","","","has coordinates","287461","2023-11-07","03:00:48",""
"1570278","7.761","0.0002","7.761","0.0002","56.211","0.0018","90","","90","","120","","2932.16","0.14","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","Nandrolone_propionate","19_nortestosterone_17β-propionate_hemihydrate","","- C42 H62 O6.5 -","- C42 H62 O6.5 -","- C126 H186 O19.5 -","3","0.5","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","","1.54184","CuKα","","0.0827","0.068","","","0.2032","0.221","","","","","","1.045","","","","has coordinates","287462","2023-11-07","03:01:25",""
"1570279","9.9889","0.0006","8.2547","0.0005","32.9847","0.0014","90","","94.761","0.005","90","","2710.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Nandrolone_undecanoate","19_nortestosterone_17β_undecanoate","","- C29 H46 O3 -","- C29 H46 O3 -","- C116 H184 O12 -","4","2","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","0.71073","MoKα","","0.2801","0.0865","","","0.1462","0.2189","","","","","","0.978","","","","has coordinates","287463","2023-11-07","03:02:16",""
"1570280","7.6432","0.0001","15.3112","0.0004","19.78","0.0004","90","","90","","90","","2314.79","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nandrolone_cypionate","19_nortestosterone_17β_cyclopentanepropionate","","- C26 H38 O3 -","- C26 H38 O3 -","- C104 H152 O12 -","4","1","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","1.54184","CuKα","","0.071","0.0652","","","0.1986","0.2089","","","","","","1.061","","","","has coordinates","287464","2023-11-07","03:02:45",""
"1570281","8.0959","0.0001","8.0959","0.0001","71.2184","0.0014","90","","90","","90","","4667.91","0.12","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Nandrolone_phenylpropionate","19_Nortestosterone_17β_phenylpropionate","","- C27 H34 O3 -","- C27 H34 O3 -","- C216 H272 O24 -","8","1","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","1.54184","CuKα","","0.1089","0.0694","","","0.2045","0.2338","","","","","","1.023","","","","has coordinates","287465","2023-11-07","03:03:19",""
"1570282","12.1859","0.0003","12.1859","0.0003","19.308","0.0006","90","","90","","120","","2483.04","0.12","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl3 F18 Na63 O84 S21 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0954","0.1017","","","","","","1.009","","","","has coordinates","287466","2023-11-07","08:11:13",""
"1570283","7.0714","0.0002","7.0714","0.0002","19.5972","0.0007","90","","90","","120","","848.66","0.05","600","0.4","600","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","1","0.0833333","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0578","0.0485","","","0.1602","0.1697","","","","","","1.018","","","","has coordinates,has disorder","287467","2023-11-07","08:11:40",""
"1570284","12.1903","0.0002","12.1903","0.0002","13.9454","0.0002","90","","90","","120","","1794.69","0.05","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F4 Na15 O20 S5 -","- Cl F4 Na15 O20 S5 -","- Cl3 F12 Na45 O60 S15 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0294","0.0273","","","0.0709","0.0722","","","","","","1.031","","","","has coordinates","287468","2023-11-07","08:12:03",""
"1570285","13.5479","0.0011","22.1691","0.001","23.429","0.002","90","","131.809","0.014","90","","5245","1.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","aks-sn-4-265","","- C61 H53 Cl2 N5 O2 P2 Ru -","- C61 H53 Cl2 N5 O2 P2 Ru -","- C244 H212 Cl8 N20 O8 P8 Ru4 -","4","1","","Nath, Shambhu; Yadav, Ekta; Raghuvanshi, Abhinav; Singh, Amrendra K.","Mechanistic insights and comparative analysis of Ru(ii)–NNC pincer complexes with anionic-, protic-, and classical-NHCs for transfer hydrogenation of ketones","Catalysis Science & Technology","2023","13","24","7085","7099","10.1039/D3CY01383A","","x-ray","1.54184","CuKα","","0.1479","0.096","","","0.2217","0.2727","","","","","","1.116","","","","has coordinates","288719","2024-01-06","06:48:57",""
"1570287","13.5356","0.0006","14.1129","0.0005","17.7477","0.0006","79.806","0.003","77.865","0.003","69.445","0.004","3083.7","0.2","99.98","0.12","99.98","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C53 H18 Cl2 F40 Sb4 -","- C53 H18 Cl2 F40 Sb4 -","- C106 H36 Cl4 F80 Sb8 -","2","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0815","0.0543","","","0.126","0.1428","","","","","","1.057","","","","has coordinates,has disorder","288743","2024-01-06","07:22:42",""
"1570288","15.7731","0.0002","21.2235","0.0004","22.9543","0.0004","90","","102.695","0.002","90","","7496.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H40 Cl F40 N Sb4 -","- C68 H40 Cl F40 N Sb4 -","- C272 H160 Cl4 F160 N4 Sb16 -","4","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0988","0.0885","","","0.2426","0.253","","","","","","1.058","","","","has coordinates,has disorder","288743","2024-01-06","07:22:47",""
"1570289","13.1683","0.0002","15.0933","0.0002","22.5113","0.0003","72.1222","0.0014","78.1365","0.0013","83.5967","0.0013","4161.56","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H55 F40 I N Sb4 -","- C74 H58 F40 I N Sb4 -","- C148 H116 F80 I2 N2 Sb8 -","2","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0417","0.0337","","","0.0819","0.086","","","","","","1.05","","","","has coordinates,has disorder","288743","2024-01-06","07:22:50",""
"1570290","15.9954","0.0005","19.9387","0.0005","26.1599","0.0006","90","","103.584","0.002","90","","8109.7","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H58 Br F40 N Sb4 -","- C74 H58 Br F40 N Sb4 -","- C296 H232 Br4 F160 N4 Sb16 -","4","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","","0.71073","MoKα","","0.0793","0.0539","","","0.1284","0.1455","","","","","","1.059","","","","has coordinates","288743","2024-01-06","07:22:50",""
"1570291","9.21813","0.00019","19.4553","0.0003","8.39007","0.00017","90","","108.89","0.002","90","","1423.65","0.05","100","0.13","100","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F2 N2 -","- C18 H13 F2 N2 -","- C72 H52 F8 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0445","0.0375","","","0.0984","0.1028","","","","","","1.052","","","","has coordinates","288751","2024-01-06","07:25:30",""
"1570292","6.7353","0.0003","11.3696","0.0005","16.8733","0.0008","70.393","0.004","86.036","0.004","79.883","0.004","1198.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 F4 N3 -","- C28 H25 F4 N3 -","- C56 H50 F8 N6 -","2","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0571","0.0493","","","0.1331","0.1413","","","","","","1.034","","","","has coordinates","288751","2024-01-06","07:25:41",""
"1570293","6.6187","0.0002","9.1334","0.0003","16.8821","0.0005","95.636","0.003","94.087","0.002","94.166","0.003","1009.76","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H17 N5 -","- C26 H17 N5 -","- C52 H34 N10 -","2","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0853","0.0786","","","0.2065","0.2183","","","","","","1.051","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570294","14.0212","0.0003","8.3368","0.0002","15.4457","0.0004","90","","100.715","0.002","90","","1774","0.07","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F4 N2 -","- C24 H10 F4 N2 -","- C96 H40 F16 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0604","0.0557","","","0.1459","0.1485","","","","","","1.086","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570295","14.2576","0.0002","29.1258","0.0004","9.4692","0.0001","90","","93.636","0.001","90","","3924.3","0.09","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N5 -","- C24 H15 N5 -","- C192 H120 N40 -","8","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0557","0.0489","","","0.142","0.1497","","","","","","1.043","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570296","9.2342","0.0003","19.7739","0.0004","8.5738","0.0003","90","","107.396","0.003","90","","1493.94","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F2 N2 -","- C18 H13 F2 N2 -","- C72 H52 F8 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0426","0.0379","","","0.1091","0.1132","","","","","","1.076","","","","has coordinates","288751","2024-01-06","07:25:46",""
"1570301","30.2193","0.0013","12.6557","0.0005","14.4652","0.0006","90","","115.12","0.0014","90","","5008.9","0.4","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Ir2 N6 O2 -","- C64 H50 Ir2 N6 O2 -","- C256 H200 Ir8 N24 O8 -","4","0.5","","Pander, Piotr; Zaytsev, Andrey V.; Sil, Amit; Baryshnikov, Glib V.; Siddique, Farhan; Williams, J. A. Gareth; Dias, Fernando B.; Kozhevnikov, Valery N.","Thermally activated delayed fluorescence in a deep red dinuclear iridium(iii) complex: a hidden mechanism for short luminescence lifetimes.","Chemical science","2023","14","47","13934","13943","10.1039/d3sc04450e","","x-ray","0.71073","MoKα","","0.0765","0.0416","","","0.0694","0.079","","","","","","1.03","","","","has coordinates","288747","2024-01-06","07:24:06",""
"1570306","13.6565","0.0003","5.8286","0.0002","20.6721","0.0006","90","","92.751","0.002","90","","1643.57","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-<i>N</i>-phenylhydrazinecarbothioamide","","- C18 H23 N3 S -","- C18 H23 N3 S -","- C72 H92 N12 S4 -","4","1","BT4142","Oliveira, Adriano Bof; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-N-phenylhydrazinecarbothioamide","IUCrData","2023","8","11","","","10.1107/S2414314623009719","","x-ray","0.71073","MoKα","","0.0642","0.0393","","","0.0836","0.0945","","","","","","1.064","","","","has coordinates","287611","2023-11-15","03:07:53",""
"1570307","10.261","0.005","11.243","0.005","20.198","0.009","84.857","0.015","87.185","0.016","72.525","0.015","2213","1.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis[bis(diphenylphosphanyl)methane-κ^2^<i>P</i>,<i>P</i>']dichloridoruthenium(II)","","- C50 H44 Cl2 P4 Ru -","- C50 H44 Cl2 P4 Ru -","- C100 H88 Cl4 P8 Ru2 -","2","1","WM4201","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","trans-Bis[bis(diphenylphosphanyl)methane-κ2 P,P′]dichloridoruthenium(II): a triclinic polymorph","IUCrData","2023","8","11","","","10.1107/S2414314623009847","","","0.71073","MoKα","","0.0477","0.0337","","","0.0752","0.0829","","","","","","1.041","","","","has coordinates","287612","2023-11-15","03:08:30",""
"1570308","9.8996","0.0007","10.0299","0.0007","17.9841","0.0013","73.81","0.003","86.774","0.004","83.592","0.003","1703.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","1-(1-Hydroxycyclohexyl)cyclohexan-1-ol","[1,1'-Bicyclohexane]-1,1'-diol","","- C12 H22 O2 -","- C12 H22 O2 -","- C72 H132 O12 -","6","3","BT4141","Mtendeni, Zukisani; Hosten, Eric Cyriel; Betz, Richard","[1,1′-Bicyclohexane]-1,1′-diol","IUCrData","2023","8","11","","","10.1107/S2414314623009690","","","0.71073","MoKα","","0.0658","0.0421","","","0.0986","0.1101","","","","","","1.023","","","","has coordinates","287613","2023-11-15","03:08:55",""
"1570312","8.4966","0.0003","24.315","0.0008","19.5124","0.0006","90","","98.653","0.002","90","","3985.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl4 Ge2 N P2 -","- C38 H47 Cl4 Ge2 N P2 -","- C152 H188 Cl16 Ge8 N4 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0721","0.0659","","","0.1407","0.1435","","","","","","1.174","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570313","17.954","0.004","9.494","0.002","26.01","0.005","90","0.03","102.93","0.03","90","0.03","4321.1","1.6","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C38 H46 Cl3 F3 Ge O3 P2 S -","- C38 H46 Cl3 F3 Ge O3 P2 S -","- C152 H184 Cl12 F12 Ge4 O12 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0911","0.0484","","","0.1052","0.1234","","","","","","1.025","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570314","11.7903","0.0011","13.0614","0.0011","15.765","0.0014","70.049","0.002","85.111","0.003","75.622","0.003","2210.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 F6 Ge O7 P2 S2 -","- C42 H52 F6 Ge O7 P2 S2 -","- C84 H104 F12 Ge2 O14 P4 S4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1232","0.0763","","","0.1602","0.1883","","","","","","1.03","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570315","17.3764","0.0016","9.2749","0.0009","25.485","0.002","90","","103.688","0.003","90","","3990.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H52 F4 Ge O4 P2 S -","- C41 H52 F4 Ge O4 P2 S -","- C164 H208 F16 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0437","0.0307","","","0.0767","0.0789","","","","","","1.05","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570316","15.128","0.004","10.41","0.003","29.642","0.008","90","","102.314","0.008","90","","4561","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Cl F3 Ge O4 P2 S -","- C53 H44 Cl F3 Ge O4 P2 S -","- C212 H176 Cl4 F12 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0522","0.0492","","","0.1183","0.1202","","","","","","1.09","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570317","13.481","0.003","9.414","0.002","21.087","0.004","90","","96.178","0.007","90","","2660.6","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C53 H77 F3 Ge O7 P2 S -","- C53 H77 F3 Ge O7 P2 S -","- C106 H154 F6 Ge2 O14 P4 S2 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1244","0.0561","","","0.1493","0.1805","","","","","","1.052","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570318","22.1656","0.0019","10.1752","0.0009","20.7492","0.0017","90","","102.393","0.003","90","","4570.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl2 Ge O2 P2 -","- C56 H52 Cl2 Ge O2 P2 -","- C224 H208 Cl8 Ge4 O8 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0413","0.0379","","","0.0978","0.1007","","","","","","1.043","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570319","21.183","0.006","14.414","0.004","16.645","0.004","90","","96.823","0.009","90","","5046","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl4 F6 Ge O6 P2 S2 -","- C52 H40 Cl4 F6 Ge O6 P2 S2 -","- C208 H160 Cl16 F24 Ge4 O24 P8 S8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0597","0.0472","","","0.1241","0.1322","","","","","","1.029","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570320","13.652","0.003","15.573","0.003","16.333","0.003","79.755","0.006","79.751","0.006","71.778","0.006","3217.8","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H60 Cl4 F6 Ge N4 O6 P2 S2 -","- C66 H60 Cl4 F6 Ge N4 O6 P2 S2 -","- C132 H120 Cl8 F12 Ge2 N8 O12 P4 S4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.129","0.0722","","","0.1826","0.2102","","","","","","1.053","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570321","11.025","0.006","13.376","0.008","14.809","0.008","99.098","0.016","91.984","0.015","102.355","0.019","2101","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H38 Ge P2 -","- C55 H38 Ge P2 -","- C110 H76 Ge2 P4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0907","0.0525","","","0.104","0.1168","","","","","","1.018","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570322","9.896","0.005","15.315","0.008","17.58","0.008","105.27","0.013","93.87","0.014","100.521","0.014","2508","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.01 H44 F6.03 Ge O8.03 P2 S2.01 -","- C58.012 H44 F6.036 Ge O8.036 P2 S2.012 -","- C116.024 H88 F12.072 Ge2 O16.072 P4 S4.024 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1962","0.1035","","","0.2554","0.3296","","","","","","1.041","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570323","11.282","0.011","30.08","0.03","15.527","0.016","90","","102.04","0.03","90","","5153","9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Cl4 F6 Ge N2 O6 P2 S2 -","- C47 H58 Cl4 F6 Ge N2 O6 P2 S2 -","- C188 H232 Cl16 F24 Ge4 N8 O24 P8 S8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1293","0.0933","","","0.2238","0.2506","","","","","","1.029","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570324","10.046","0.003","18.494","0.006","23.535","0.008","90","","97.484","0.012","90","","4335","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F4 Ge O3 P2 S -","- C49 H36 F4 Ge O3 P2 S -","- C196 H144 F16 Ge4 O12 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0776","0.0441","","","0.0998","0.1135","","","","","","1.05","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570325","12.221","0.003","18.49","0.004","16.895","0.004","90","","93.001","0.008","90","","3812.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Ge P2 -","- C50 H42 Ge P2 -","- C200 H168 Ge4 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.044","0.0356","","","0.0901","0.0951","","","","","","1.007","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570326","12.192","0.002","21.924","0.004","18.159","0.004","90","0.03","103.59","0.03","90","0.03","4718","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 F3 Ge O4 P2 S -","- C55 H49 F3 Ge O4 P2 S -","- C220 H196 F12 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.048","0.0383","","","0.0938","0.1006","","","","","","1.054","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570327","47.155","0.009","13.05","0.003","19.811","0.004","90","","100.229","0.005","90","","11997","4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl4 F6 Ge O7 P3 S2 -","- C58 H53 Cl4 F6 Ge O7 P3 S2 -","- C464 H424 Cl32 F48 Ge8 O56 P24 S16 -","8","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1761","0.0992","","","0.1888","0.2198","","","","","","1.083","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570328","6.7822","0.0001","15.6869","0.0003","6.8577","0.0001","90","","108.443","0.001","90","","692.13","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O6 S -","- C13 H10 F N O6 S -","- C26 H20 F2 N2 O12 S2 -","2","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0267","0.0264","","","0.067","0.0672","","","","","","1.067","","","","has coordinates","288744","2024-01-06","07:23:02",""
"1570329","6.4447","0.0002","9.8276","0.0003","12.3314","0.0004","90","","90","","90","","781.02","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Br F O3 -","- C7 H6 Br F O3 -","- C28 H24 Br4 F4 O12 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.0139","0.0138","","","0.0351","0.0352","","","","","","1.084","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570330","8.6997","0.0004","15.8634","0.0008","6.6702","0.0004","90","","102.677","0.002","90","","898.09","0.08","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Br F O2 -","- C8 H10 Br F O2 -","- C32 H40 Br4 F4 O8 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.035","0.031","","","0.0694","0.0714","","","","","","1.042","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570331","7.0038","0.0001","15.9234","0.0002","28.8087","0.0004","90","","90","","90","","3212.87","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 I N2 O10 -","- C26 H33 I N2 O10 -","- C104 H132 I4 N8 O40 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0305","0.0285","","","0.071","0.0721","","","","","","1.064","","","","has coordinates,has disorder","288744","2024-01-06","07:23:05",""
"1570332","3.805","","16.987","","3.023","","90","","90","","90","","195.393","","293","","293","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Na1.96 O6 Ti2.6 -","- Na0.49 O6 Ti1.3 -","- Na0.49 O6 Ti1.3 -","1","0.125","","Ma, Xuanao; Liu, Yang; Zhang, Yunhuai; Gong, Yun","Layered sodium titanate with a matched lattice: a single ion conductor in a solid-state sodium metal battery.","Chemical science","2023","14","47","13812","13824","10.1039/d3sc04355j","","","1.5406","CuKα","","0.0757","0.0757","","0.0895","0.0895","","","","0.957","0.957","0.957","","","","","has coordinates","288745","2024-01-06","07:23:18",""
"1570333","12.7357","0.0008","9.9509","0.0006","6.8757","0.0004","90","","104.845","0.003","90","","842.28","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","difluoromesitylborane","","- C9 H11 B F2 -","- C9 H11 B F2 -","- C36 H44 B4 F8 -","4","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0262","0.0214","","","0.0537","0.0565","","","","","","1.0718","","","","has coordinates,has disorder","288759","2024-01-06","07:30:18",""
"1570334","7.7689","0.0003","15.8453","0.0006","6.9825","0.0003","90","","106.825","0.002","90","","822.76","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","difluoro(1-naphthyl)borane","","- C10 H7 B F2 -","- C10 H7 B F2 -","- C40 H28 B4 F8 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0581","0.0442","","","0.112","0.1197","","","","","","1.081","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570335","6.5423","0.0005","4.7676","0.0003","14.5152","0.0012","90","","102.811","0.005","90","","441.47","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(difluoroboryl)-1,4-dimethylbenzene","","- C8 H8 B2 F4 -","- C8 H8 B2 F4 -","- C16 H16 B4 F8 -","2","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.3418","synchrotron","","0.0447","0.0279","","","0.0535","0.059","","","","","","1.1129","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570336","6.0599","0.0004","9.1583","0.0006","10.5791","0.0007","66.23","0.004","84.512","0.004","72.336","0.004","511.75","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","difluoro(2,3,4,5,6-pentamethylphenyl)borane","","- C11 H15 B F2 -","- C11 H15 B F2 -","- C22 H30 B2 F4 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0585","0.0413","","","0.115","0.1294","","","","","","1.0825","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570337","8.6301","0.0003","8.5219","0.0003","13.3072","0.0005","90","","99.458","0.001","90","","965.37","0.06","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","5-acenaphthyldifluoroborane","","- C12 H9 B F2 -","- C12 H9 B F2 -","- C48 H36 B4 F8 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0346","0.0326","","","0.0891","0.0904","","","","","","1.076","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570338","8.3362","0.001","8.4445","0.001","12.8453","0.0015","87.107","0.005","82.251","0.005","65.001","0.005","812.03","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","(5-acenaphthyl)fluoro(mesityl)borane","","- C21 H20 B F -","- C21 H20 B F -","- C42 H40 B2 F2 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.1048","0.0691","","","0.1912","0.2144","","","","","","0.9942","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570339","6.0446","0.0002","6.0112","0.0002","14.2458","0.0005","90","","94.653","0.002","90","","515.92","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-anthryldifluoroborane","","- C14 H9 B F2 -","- C14 H9 B F2 -","- C28 H18 B2 F4 -","2","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0311","0.0229","","","0.0432","0.0451","","","","","","1.2998","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570340","10.7719","0.0003","7.1215","0.0002","20.5604","0.0006","90","","90","","90","","1577.23","0.08","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzo[b]thien-2-yldifluoroborane","","- C8 H5 B F2 S -","- C8 H5 B F2 S -","- C64 H40 B8 F16 S8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","GaKα","","0.0262","0.018","","","0.0361","0.0387","","","","","","1.0783","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570341","18.0452","0.0005","7.7356","0.0002","17.4913","0.0005","90","","102.054","0.002","90","","2387.78","0.11","298","2","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","di-1-naphthyl(2,3,4,5,6-pentamethylphenyl)borane","","- C31 H29 B -","- C31 H29 B -","- C124 H116 B4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.1051","0.0739","","","0.2226","0.2623","","","","","","0.9991","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570342","9.2702","0.0004","10.5154","0.0004","12.0275","0.0005","90","","90","","90","","1172.44","0.08","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","boron tribromide - N,N-dimethylaniline","","- C8 H11 B Br3 N -","- C8 H11 B Br3 N -","- C32 H44 B4 Br12 N4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.032","0.0302","","","0.0713","0.0729","","","","","","1.0378","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570343","10.1157","0.0003","10.318","0.0003","12.9562","0.0004","91.817","0.002","104.952","0.002","109.094","0.002","1224.6","0.07","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","mesityl(1-naphthyl)(2,3,4,5,6-pentamethylphenyl)borane","","- C30 H33 B -","- C30 H33 B -","- C60 H66 B2 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0961","0.07","","","0.2195","0.2649","","","","","","1.0601","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570344","14.178","0.0003","12.384","0.0003","19.5169","0.0004","90","","90","","90","","3426.78","0.13","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","boron tribromide - N,N-dimethyl-4-trimethylsilylaniline","","- C11 H19 B Br3 N Si -","- C11 H19 B Br3 N Si -","- C88 H152 B8 Br24 N8 Si8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0446","0.0384","","","0.0926","0.102","","","","","","1.0599","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570345","8.6399","0.0004","25.3455","0.0011","8.6121","0.0003","90","","114.716","0.002","90","","1713.14","0.13","273","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","fluoro(mesityl)(2,3,4,5,6-pentamethylphenyl)borane","","- C20 H26 B F -","- C20 H26 B F -","- C80 H104 B4 F4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0458","0.041","","","0.106","0.1093","","","","","","1.0411","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570346","31.0228","0.0011","7.557","0.0003","18.3028","0.0008","90","","97.668","0.003","90","","4252.5","0.3","298","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-bis[5-acenaphthyl(mesityl)boryl]ferrocene - fluorobenzene (1:0.5)","","- C55 H50.5 B2 F0.5 Fe -","- C52 H48 B2 Fe -","- C208 H192 B8 Fe4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.1351","0.0619","","","0.147","0.1979","","","","","","0.9696","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570347","12.1606","0.0003","15.186","0.0004","16.3042","0.0004","90","","90.497","0.0013","90","","3010.8","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Ga N5 -","- C28 H44 Cl2 Ga N5 -","- C112 H176 Cl8 Ga4 N20 -","4","1","","Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.","Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates.","Chemical science","2023","14","47","13944","13950","10.1039/d3sc03806h","","","1.54178","CuKα","","0.0473","0.0399","","","0.1048","0.1107","","","","","","1.038","","","","has coordinates,has disorder","288750","2024-01-06","07:24:44",""
"1570348","13.1613","0.0011","13.2286","0.0011","15.7223","0.0013","90","","93.54","0.002","90","","2732.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Cl2 Ga N5 -","- C25 H38 Cl2 Ga N5 -","- C100 H152 Cl8 Ga4 N20 -","4","1","","Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.","Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates.","Chemical science","2023","14","47","13944","13950","10.1039/d3sc03806h","","","0.71073","MoKα","","0.0219","0.0203","","","0.053","0.0538","","","","","","1.057","","","","has coordinates","288750","2024-01-06","07:24:47",""
"1570349","13.6239","0.0016","7.8788","0.0011","19.179","0.003","90","","92.723","0.011","90","","2056.3","0.5","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 O S2 -","- C23.98 H20.94 N2 O S2 -","- C95.92 H83.76 N8 O4 S8 -","4","1","","Sahoo, Priya Ranjan; Kumar, Nikhil; Sairam, Keloth; Gulati, L. K.; Gulati, G. K.; Datta, Anupama; Kumar, Satish","A tuning fork-shaped bisbenzothiazole derivative as a pH-responsive digital fluorescent probe and its <i>ex vivo</i> evaluation.","Analytical methods : advancing methods and applications","2023","15","48","6722","6726","10.1039/d3ay01702h","","","0.71073","MoKα","","0.286","0.0847","","","0.1329","0.2019","","","","","","0.867","","","","has coordinates,has disorder","288717","2024-01-06","06:47:50",""
"1570350","10.2398","0.0004","15.3856","0.0006","12.1399","0.0004","90","","102.111","0.003","90","","1870.02","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 N8 Ni2 O9 -","- C32 H52 Cl2 N8 Ni2 O9 -","- C64 H104 Cl4 N16 Ni4 O18 -","2","0.5","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.0695","0.0564","","","0.1629","0.1715","","","","","","1.055","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570351","15.3815","0.0005","18.3733","0.0004","16.725","0.0005","90","","111.493","0.003","90","","4398","0.2","99.85","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 N8 Ni2 O13 -","- C38 H62 N8 Ni2 O13 -","- C152 H248 N32 Ni8 O52 -","4","0.5","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.038","0.035","","","0.0865","0.0882","","","","","","1.06","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570352","29.4737","0.0012","14.7532","0.0005","20.5922","0.0008","90","","103.741","0.004","90","","8697.9","0.6","100","0.1","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H48 Br Ga N8 Ni O7 -","- C33 H48 Br Ga N8 Ni O7 -","- C264 H384 Br8 Ga8 N64 Ni8 O56 -","8","1","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.0646","0.0462","","","0.118","0.1254","","","","","","1.021","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570353","13.6255","0.0005","28.1927","0.0011","22.8261","0.0009","90","","101.761","0.001","90","","8584.3","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H48 B2 F24 N2 P4 W -","- C82 H48 B2 F24 N2 P4 W -","- C328 H192 B8 F96 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0474","0.0349","","","0.0852","0.0926","","","","","","1.117","","","","has coordinates","288763","2024-01-06","07:31:45",""
"1570354","12.833","0.003","24.785","0.005","19.899","0.004","90","","91.015","0.007","90","","6328","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H59 B2 F24 N4 P4 W -","- C60 H59 B2 F24 N4 P4 W -","- C240 H236 B8 F96 N16 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0833","0.0625","","","0.1356","0.1437","","","","","","1.133","","","","has coordinates,has disorder","288763","2024-01-06","07:31:55",""
"1570355","15.1504","0.0009","23.4318","0.0015","19.2226","0.0011","90","","93.953","0.002","90","","6807.8","0.7","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 B2 F27 N5 O P4 W -","- C54 H56 B2 F24 N2 O P4 W -","- C216 H224 B8 F96 N8 O4 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.1065","0.0821","","","0.1939","0.2199","","","","","","1.096","","","","has coordinates","288763","2024-01-06","07:31:58",""
"1570356","10.9692","0.00003","20.0639","0.00004","20.4791","0.00004","90","","101.51","0.003","90","","4416.5","0.05","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 B F15 N2 P4 W -","- C38 H50 B F15 N2 P4 W -","- C152 H200 B4 F60 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","","0.71073","MoKα","","0.0254","0.0201","","0.0737","0.051","0.0473","","","","","","0.9933","","","","has coordinates","288763","2024-01-06","07:32:01",""
"1570357","20.1462","0.0011","11.8225","0.0006","22.9963","0.0012","90","","92.163","0.002","90","","5473.3","0.5","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 B2 F24 N2 P4 W -","- C50 H50 B2 F24 N2 P4 W -","- C200 H200 B8 F96 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0256","0.0217","","","0.0525","0.0541","","","","","","1.087","","","","has coordinates","288763","2024-01-06","07:32:11",""
"1570358","9.15002","0.00004","14.0725","0.00007","14.39225","0.00007","90","","90","","90","","1853.2","0.015","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O4 -","- C19 H22 F3 N O4 -","- C76 H88 F12 N4 O16 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0316","0.0315","","","0.0825","0.0826","","","","","","1.105","","","","has coordinates","288753","2024-01-06","07:26:14",""
"1570359","9.32874","0.00006","14.9932","0.00009","16.18409","0.00011","90","","90","","90","","2263.63","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F2 N2 O5 -","- C23 H21 Cl F2 N2 O5 -","- C92 H84 Cl4 F8 N8 O20 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0676","0.0678","","","","","","1.047","","","","has coordinates","288753","2024-01-06","07:26:24",""
"1570360","9.9425","0.0002","18.8834","0.0003","22.242","0.0004","90","","90","","90","","4175.9","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F3 N O4 -","- C23 H22 F3 N O4 -","- C184 H176 F24 N8 O32 -","8","2","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0673","0.0677","","","","","","1.014","","","","has coordinates","288753","2024-01-06","07:26:27",""
"1570361","8.8576","0.0001","32.2146","0.0004","31.0202","0.0003","90","","92.363","0.001","90","","8843.9","0.17","93","3","93","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 F6 N4 O Pt2 S -","- C52 H36 F6 N4 O Pt2 S -","- C416 H288 F48 N32 O8 Pt16 S8 -","8","2","","Hashimoto, Yoshihisa; Katagiri, Yuri; Tanaka, Yuya; Yoshizawa, Michito","Solution-state mechanochromic luminescence of Pt(ii)-complexes displayed within micellar aromatic capsules.","Chemical science","2023","14","48","14211","14216","10.1039/d3sc04613c","","x-ray","1.54184","CuKα","","0.047","0.0433","","","0.1144","0.1162","","","","","","1.126","","","","has coordinates,has disorder","288758","2024-01-06","07:28:54",""
"1570362","9.3312","0.0019","19.124","0.004","9.977","0.002","90","","95.453","0.007","90","","1772.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","","- C21 H15 N3 O S -","- C21 H15 N3 O S -","- C84 H60 N12 O4 S4 -","4","1","HB4458","Koh, Dongsoo","(E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","IUCrData","2023","8","11","","","10.1107/S2414314623009975","","","0.71073","MoKα","","0.0948","0.0458","","","0.0999","0.1269","","","","","","1.022","","","","has coordinates","287722","2023-11-22","03:04:51",""
"1570364","18.984","0.004","28.994","0.006","28.216","0.006","90","","99.45","0.03","90","","15320","6","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H114 Cl4 Ni11 S22 -","- C134 H114 Cl4 Ni11 S22 -","- C536 H456 Cl16 Ni44 S88 -","4","0.5","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","1.54178","CuKα","","0.0761","0.0681","","","0.2096","0.2183","","","","","","1.055","","","","has coordinates,has disorder","288826","2024-01-06","08:30:36",""
"1570365","23.4478","0.0013","30.2351","0.0016","48.07","0.003","90","","90","","90","","34079","3","273.15","","273.15","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C142 H140 Ni10 O S20 -","- C142 H140 Ni10 O S20 -","- C1136 H1120 Ni80 O8 S160 -","8","0.25","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","1.54178","CuKα","","0.0688","0.0487","","","0.1357","0.1462","","","","","","1.026","","","","has coordinates","288826","2024-01-06","08:30:48",""
"1570366","15.8258","0.0018","16.279","0.002","16.292","0.002","64.679","0.004","77.271","0.004","69.706","0.005","3545.7","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C121 H100 Cl2 Pd10 S20 -","- C121 H100 Cl2 Pd10 S20 -","- C121 H100 Cl2 Pd10 S20 -","1","0.5","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","0.71073","MoKα","","0.06","0.0434","","","0.1021","0.111","","","","","","1.029","","","","has coordinates,has disorder","288826","2024-01-06","08:30:52",""
"1570367","15.4893","0.0015","17.1391","0.0016","27.979","0.003","73.147","0.004","85.831","0.005","88.799","0.005","7089.8","1.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C110 H94 Cl4 Pd9 S18 -","- C110 H94 Cl4 Pd9 S18 -","- C220 H188 Cl8 Pd18 S36 -","2","1","","Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo","Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.","Nanoscale","2023","15","47","19079","19084","10.1039/d3nr05328h","","","0.71073","MoKα","","0.1555","0.0987","","","0.2794","0.3172","","","","","","1.062","","","","has coordinates","288826","2024-01-06","08:30:55",""
"1570369","5.04322","0.00003","18.11509","0.00013","14.46487","0.0001","90","","90.46","0.0006","90","","1321.44","0.015","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 1-(4-fluorobenzyl)-1<i>H</i>-indazole-3-carboxylate","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C64 H52 F4 N8 O8 -","4","1","ZL4059","Doi, Takahiro; Sakai, Takayuki","Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate","IUCrData","2023","8","11","","","10.1107/S2414314623009951","","x-ray","1.54184","CuKα","","0.0315","0.0309","","","0.0772","0.0778","","","","","","1.026","","","","has coordinates","287769","2023-11-24","02:58:19",""
"1570370","10.8925","0.0004","19.7704","0.0007","15.6033","0.0005","90","","109.867","0.001","90","","3160.17","0.19","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 B O2 Sn -","- C32 H53 B O2 Sn -","- C128 H212 B4 O8 Sn4 -","4","2","","Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R.","A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters.","Chemical science","2023","14","48","14124","14130","10.1039/d3sc04519f","","","1.54178","CuKα","","0.0557","0.0553","","","0.1404","0.1407","","","","","","1.052","","","","has coordinates","288760","2024-01-06","07:30:29",""
"1570371","14.3651","0.0005","14.91024","0.00015","13.24655","0.00015","90","","117.406","0.004","90","","2518.81","0.13","293","","293","","","","","","","","","6","A 1 n 1","A -2yab","9","","","","- C16 H18 Mn N8 O6 S2 -","- C16 H18 Mn N8 O6.5 S2 -","- C64 H72 Mn4 N32 O26 S8 -","4","1","","Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz","From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.","Chemical science","2023","14","48","14176","14181","10.1039/d3sc04401g","powder diffraction","x-ray","1.54187","CuKα","","0.0806","0.0656","","0.0545","0.0524","","","","1.5113","","","","","","","has coordinates","288755","2024-01-06","07:27:08",""
"1570372","10.4862","0.0003","15.4994","0.0003","7.56251","0.00018","90","","98.534","0.003","90","","1215.52","0.05","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn N6 O6 S2 -","- C16 H20 Mn N6 O6.5 S2 -","- C32 H40 Mn2 N12 O13 S4 -","2","0.5","","Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz","From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.","Chemical science","2023","14","48","14176","14181","10.1039/d3sc04401g","powder diffraction","x-ray","1.54187","CuKα","","0.1137","0.0771","","0.0767","0.0733","","","","1.6856","","","","","","","has coordinates","288755","2024-01-06","07:27:19",""
"1570374","7.5387","0.0005","8.2803","0.0005","8.4979","0.0005","83.344","0.005","89.699","0.005","70.311","0.006","495.76","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6.16 Cl2.84 I N2 O2 -","- C5 H6 Cl2.84 I N2 O2 -","- C10 H12 Cl5.68 I2 N4 O4 -","2","1","","Chen, Qian-Qian; Hu, Chun-Li; Zhang, Ming-Zhi; Mao, Jiang-Gao","(C<sub>5</sub>H<sub>6.16</sub>N<sub>2</sub>Cl<sub>0.84</sub>)(IO<sub>2</sub>Cl<sub>2</sub>): a birefringent crystal featuring unprecedented (IO<sub>2</sub>Cl<sub>2</sub>)<sup>-</sup> anions and π-conjugated organic cations.","Chemical science","2023","14","48","14302","14307","10.1039/d3sc05770d","","","0.71073","MoKα","","0.029","0.0239","","","0.0512","0.0536","","","","","","1.04","","","","has coordinates","288756","2024-01-06","07:27:35",""
"1570375","21.5943","0.0005","5.8735","0.0001","9.8361","0.0002","90","","100.575","0.002","90","","1226.36","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N2 O2 S -","- C12 H13 F N2 O2 S -","- C48 H52 F4 N8 O8 S4 -","4","1","","Punjajom, Kunlayanee; Sinclair, Paul P.; Saha, Ishika; Seierstad, Mark; Ameriks, Michael K.; García-Reynaga, Pablo; Lebold, Terry P.; Sarpong, Richmond","Convergent synthesis of thiodiazole dioxides from simple ketones and amines through an unusual nitrogen-migration mechanism.","Chemical science","2023","15","1","328","335","10.1039/d3sc04478e","","x-ray","1.54184","CuKα","","0.0448","0.0391","","","0.105","0.1089","","","","","","1.065","","","","has coordinates","289398","2024-02-04","11:27:03",""
"1570376","7.9089","0.0002","15.0721","0.0003","17.4446","0.0004","90","","90","","90","","2079.46","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0341","0.0321","","","0.0758","0.0775","","","","","","1.06","","","","has coordinates","288748","2024-01-06","07:24:15",""
"1570377","7.8307","0.0001","15.5594","0.0003","21.1844","0.0004","90","","90","","90","","2581.13","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 O3 -","- C31 H26 O3 -","- C124 H104 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0722","0.0672","","","0.1655","0.1697","","","","","","1.055","","","","has coordinates,has disorder","288748","2024-01-06","07:24:15",""
"1570378","9.5291","0.0002","22.9164","0.0005","9.87","0.0002","90","","102.612","0.002","90","","2103.33","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cu4 I4 N8 -","- C36 H40 Cu4 I4 N8 -","- C72 H80 Cu8 I8 N16 -","2","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0356","0.032","","","0.0765","0.0791","","","","","","1.02","","","","has coordinates","288718","2024-01-06","06:48:46",""
"1570379","20.0759","0.0002","16.97565","0.00017","14.15214","0.00016","90","","90","","90","","4823.07","0.09","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C43 H48 Cu4 I4 N8 -","- C43 H48 Cu4 I4 N8 -","- C172 H192 Cu16 I16 N32 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0294","0.0261","","","0.064","0.0662","","","","","","1.027","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570380","9.6197","0.0005","14.6022","0.0006","15.2132","0.0008","116.031","0.005","98.314","0.004","100.323","0.004","1827.89","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cu4 F4 N8 -","- C36 H40 Cu4 F4 N8 -","- C72 H80 Cu8 F8 N16 -","2","1","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0641","0.0341","","","0.0771","0.0803","","","","","","0.858","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570381","15.1457","0.0004","8.88279","0.00016","14.4845","0.0004","90","","110.461","0.003","90","","1825.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cu N4 -","- C18 H20 Br Cu N4 -","- C72 H80 Br4 Cu4 N16 -","4","1","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0339","0.0288","","","0.0693","0.0726","","","","","","1.039","","","","has coordinates","288718","2024-01-06","06:48:47",""
"1570382","10.4396","0.0005","13.5659","0.001","14.4025","0.0011","74.007","0.007","89.553","0.005","79.913","0.005","1928.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 Cu2 N4 -","- C18 H20 Cl2 Cu2 N4 -","- C72 H80 Cl8 Cu8 N16 -","4","2","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0578","0.0329","","","0.062","0.0652","","","","","","0.863","","","","has coordinates","288718","2024-01-06","06:48:47",""
"1570383","17.3777","0.0006","14.539","0.0005","10.7488","0.0004","90","","90","","90","","2715.73","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H28 Cu2 F2 N6 -","- C30 H28 Cu2 F2 N6 -","- C120 H112 Cu8 F8 N24 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0577","0.0412","","","0.0961","0.105","","","","","","1.06","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570385","12.5212","0.0004","17.2596","0.0006","18.8102","0.0007","90","","98.389","0.002","90","","4021.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PW8","","","- C39 H63 Cl N O P Pd -","- C39 H63 Cl N O P Pd -","- C156 H252 Cl4 N4 O4 P4 Pd4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","1.54178","CuKα","","0.0481","0.0422","","","0.1132","0.1166","","","","","","1.074","","","","has coordinates,has disorder","288754","2024-01-06","07:26:44",""
"1570386","8.5537","0.0002","9.5525","0.0002","10.1463","0.0002","91.5542","0.0009","91.4639","0.0009","94.101","0.0009","826.31","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PW2","","","- C13 H30 Br P Pd -","- C13 H30 Br P Pd -","- C26 H60 Br2 P2 Pd2 -","2","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.018","0.0155","","","0.0371","0.0378","","","","","","1.057","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570387","10.33","0.0004","15.1751","0.0006","14.0651","0.0006","90","","110.126","0.0018","90","","2070.2","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PW9","","","- C16 H38 Cl P Pd Si -","- C16 H38 Cl P Pd Si -","- C64 H152 Cl4 P4 Pd4 Si4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0359","0.0233","","","0.0497","0.0535","","","","","","1","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570388","12.1765","0.0011","14.8521","0.0014","16.3152","0.0015","86.928","0.003","74.898","0.003","77.45","0.003","2780.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PW1","","","- C31 H48 Cl P Pd -","- C31 H48 Cl P Pd -","- C124 H192 Cl4 P4 Pd4 -","4","2","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0745","0.0569","","","0.1174","0.1252","","","","","","1.099","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570389","31.4611","0.0009","8.1772","0.0002","23.0772","0.0006","90","","124.577","0.0009","90","","4888.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","PW6","","","- C21 H45 Br N O P Pd -","- C21 H45 Br N O P Pd -","- C168 H360 Br8 N8 O8 P8 Pd8 -","8","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0278","0.0198","","","0.0422","0.0442","","","","","","1.011","","","","has coordinates,has disorder","288754","2024-01-06","07:26:44",""
"1570390","14.7317","0.0003","12.1009","0.0003","14.8868","0.0003","90","","115.664","0.001","90","","2392.03","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PW4","","","- C21 H45 Cl N O P Pd -","- C21 H45 Cl N O P Pd -","- C84 H180 Cl4 N4 O4 P4 Pd4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0257","0.0186","","","0.0423","0.0448","","","","","","1.008","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570391","17.7546","0.0004","15.532","0.0003","28.3321","0.0006","90","","99.228","0.001","90","","7711.9","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(dibromomethyl)(triphenyl)phosphanium bromide","","- C19 H16 Br3 P -","- C19 H16 Br3 P -","- C304 H256 Br48 P16 -","16","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0433","0.0328","","","0.0806","0.0878","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570392","32.27","0.002","32.27","0.002","11.323","0.0008","90","","90","","120","","10211.5","1.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","dibromomethyl)triphenylphosphonium bromide nitromethane solvate","","- C20 H19 Br3 N O2 P -","- C20 H19 Br3 N O2 P -","- C360 H342 Br54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0308","0.0278","","","0.0647","0.0674","","","","","","1.042","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570393","33.1499","0.0005","33.1499","0.0005","11.1629","0.0002","90","","90","","120","","10623.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetonitrile solvate","","- C21 H19 Br3 N P -","- C21 H19 Br3 N P -","- C378 H342 Br54 N18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0407","0.0372","","","0.0977","0.1014","","","","","","1.064","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570394","32.4936","0.0008","32.4936","0.0008","11.3322","0.0008","90","","90","","120","","10361.9","0.8","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetic acid solvate","","- C21 H20 Br3 O2 P -","- C21 H20 Br3 O2 P -","- C378 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0352","0.0333","","","0.0841","0.0859","","","","","","1.055","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570395","33.4263","0.0004","33.4263","0.0004","11.2099","0.0002","90","","90","","120","","10847","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 2-butanone solvate","","- C23 H24 Br3 O P -","- C23 H24 Br3 O P -","- C414 H432 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0317","0.0291","","","0.07","0.0723","","","","","","1.077","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570396","32.283","0.002","32.283","0.002","11.5522","0.0008","90","","90","","120","","10426.6","1.2","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide prop-2-enoic acid","","- C22 H20 Br3 O2 P -","- C22 H20 Br3 O2 P -","- C396 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0457","0.0411","","","0.0957","0.0994","","","","","","1.054","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570397","33.612","0.002","33.612","0.002","11.4292","0.0007","90","","90","","120","","11182.4","1.2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide N-Methylpyrrolidone solvate","","- C24 H25 Br3 N O P -","- C24 H25 Br3 N O P -","- C432 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0741","0.0419","","","0.1021","0.1365","","","","","","1.086","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570398","33.4643","0.0005","33.4643","0.0005","11.1613","0.0002","90","","90","","120","","10824.5","0.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylsulfoxide solvate","","- C21 H22 Br3 O P S -","- C21 H22 Br3 O P S -","- C378 H396 Br54 O18 P18 S18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0412","0.0393","","","0.1037","0.1059","","","","","","1.065","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570399","33.1823","0.0009","33.1823","0.0009","11.4506","0.0003","90","","90","","120","","10918.7","0.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylformamide solvate","","- C22 H23 Br3 N O P -","- C22 H23 Br3 N O P -","- C396 H414 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0553","0.0445","","","0.1179","0.1319","","","","","","1.056","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570400","33.0726","0.0018","33.0726","0.0018","11.369","0.0006","90","","90","","120","","10769.4","1","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylacetamide solvate","","- C23 H25 Br3 N O P -","- C23 H25 Br3 N O P -","- C414 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0309","0.0295","","","0.0693","0.0701","","","","","","1.067","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570401","33.144","0.0005","33.144","0.0005","11.465","0.0002","90","","90","","120","","10907.2","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-isobutylaldehyde","","- C22 H22 Br3 O0.75 P -","- C22 H22 Br3 O0.75 P -","- C396 H396 Br54 O13.5 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.042","0.037","","","0.0891","0.0945","","","","","","1.046","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570402","33.0003","0.0006","33.0003","0.0006","11.135","0.0002","90","","90","","120","","10501.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide acetone solvate","","- C22 H22 Br3 O P -","- C22 H22 Br3 O P -","- C396 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0357","0.0291","","","0.0655","0.0711","","","","","","1.083","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570403","32.9862","0.0015","32.9862","0.0015","12.0449","0.0008","90","","90","","120","","11350.1","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(diiodomethyl)(triphenyl)phosphanium iodide nitromethane solvate","","- C20 H19 I3 N O2 P -","- C20 H19 I3 N O2 P -","- C360 H342 I54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0976","0.0599","","","0.152","0.1826","","","","","","1.047","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570404","32.8602","0.0012","32.8602","0.0012","11.266","0.0004","90","","90","","120","","10535.2","0.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-proprionaldehyde","","- C42 H41 Br6 O P2 -","- C42 H41 Br6 O P2 -","- C378 H369 Br54 O9 P18 -","9","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0662","0.0554","","","0.1595","0.1764","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570405","32.8339","0.0005","32.8339","0.0005","11.1368","0.0002","90","","90","","120","","10397.7","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetaldehyde","","- C21 H20 Br3 O P -","- C21 H20 Br3 O P -","- C378 H360 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0382","0.0313","","","0.0907","0.098","","","","","","1.046","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570406","14.8074","0.0002","12.4892","0.0002","20.5366","0.0003","90","","90","","90","","3797.89","0.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(iodomethyl)(triphenyl)phosphanium iodide","","- C19 H17 I2 P -","- C19 H17 I2 P -","- C152 H136 I16 P8 -","8","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0232","0.0221","","","0.0527","0.0538","","","","","","1.054","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570407","12.2883","0.0002","12.5399","0.0002","12.1077","0.0002","90","","90","","90","","1865.72","0.05","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(dichloromethyl)triphenylphosphonium chloride","","- C19 H16 Cl3 P -","- C19 H16 Cl3 P -","- C76 H64 Cl12 P4 -","4","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0539","0.0371","","","0.0827","0.1","","","","","","1.053","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570408","33.2157","0.0004","33.2157","0.0004","11.3174","0.0002","90","","90","","120","","10813.4","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide cyclobutanone","","- C23 H22 Br3 O P -","- C23 H22 Br3 O P -","- C414 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0356","0.0316","","","0.0999","0.1052","","","","","","1.053","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570426","15.9708","0.0014","16.8532","0.0014","19.6348","0.0016","98.989","0.002","107.266","0.002","97.797","0.002","4891","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H138 N6 O3 P -","- C107 H138 N6 O3 P -","- C214 H276 N12 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1291","0.0924","","","0.2653","0.303","","","","","","1.03","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570427","16.3782","0.0004","16.4347","0.0006","18.8864","0.0006","111.457","0.001","112.34","0.002","97.462","0.001","4157.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H109 N6 O3 P -","- C89 H109 N6 O3 P -","- C178 H218 N12 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1675","0.08","","","0.2243","0.2471","","","","","","1.086","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570428","16.3882","0.0007","16.4992","0.0007","19.1849","0.0008","111.893","0.001","111.74","0.002","97.594","0.002","4245.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H115 N8 O3 P -","- C93 H115 N8 O3 P -","- C186 H230 N16 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1078","0.0927","","","0.2592","0.2805","","","","","","1.031","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570429","31.691","0.0006","6.6329","0.0001","25.7816","0.0005","90","","112.057","0.001","90","","5022.74","0.16","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 F N2 O2 -","- C32 H27 F N2 O2 -","- C256 H216 F8 N16 O16 -","8","1","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54178","CuKα","","0.0643","0.0412","","","0.0939","0.1059","","","","","","1.044","","","","has coordinates","289395","2024-02-04","11:25:18",""
"1570430","10.5292","0.0002","12.5977","0.0002","20.0573","0.0004","90","","103.635","0.001","90","","2585.49","0.08","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 F5 N2 O -","- C30 H23 F5 N2 O -","- C120 H92 F20 N8 O4 -","4","1","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54178","CuKα","","0.1236","0.0733","","","0.1918","0.2363","","","","","","1.021","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"1570431","6.8195","0.0006","19.5313","0.0009","20.5319","0.0017","96.793","0.005","95.64","0.007","99.888","0.005","2655.5","0.4","200.15","","200.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H30.13 N2 O2 -","- C33 H30.1303 N2 O2 -","- C132 H120.521 N8 O8 -","4","4","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54184","CuKα","","0.2066","0.1264","","","0.3063","0.3943","","","","","","1.005","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"1570454","39.32","0.04","32.41","0.04","37.78","0.03","90","","115.25","0.03","90","","43545","8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C184 H210 O39 Ti8 -","- C184 H210 O39 Ti8 -","- C1472 H1680 O312 Ti64 -","8","1","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.2195","0.1598","","","0.3794","0.4374","","","","","","1.081","","","","has coordinates","288764","2024-01-06","07:35:58",""
"1570455","38.021","0.013","38.021","0.013","19.702","0.004","90","","90","","90","","28481","15","297","","297","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H118 Cl O16 Ti4 -","- C96 H118 Cl O16 Ti4 -","- C768 H944 Cl8 O128 Ti32 -","8","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.086","0.0591","","","0.1627","0.1802","","","","","","0.994","","","","has coordinates,has disorder","288764","2024-01-06","07:36:01",""
"1570456","39.278","0.007","32.838","0.006","37.8","0.006","90","","115.147","0.005","90","","44134","13","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C756 H896 Br8 O148 Ti32 -","- C756 H896 Br8 O148 Ti32 -","- C1512 H1792 Br16 O296 Ti64 -","2","0.25","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1732","0.1388","","","0.3612","0.3814","","","","","","1.206","","","","has coordinates,has disorder","288764","2024-01-06","07:36:10",""
"1570457","39.187","0.003","33.088","0.002","37.42","0.003","90","","115.189","0.003","90","","43906","6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C376 H454 N8 Na4 O84 Ti16 -","- C376 H454 N8 Na4 O84 Ti16 -","- C1504 H1816 N32 Na16 O336 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.147","0.1148","","","0.3252","0.351","","","","","","1.205","","","","has coordinates,has disorder","288764","2024-01-06","07:36:12",""
"1570458","38.634","0.003","32.619","0.003","37.291","0.003","90","","114.837","0.002","90","","42648","6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C360 H432 O74.81 Ti16 -","- C360 H432 O74.83 Ti16 -","- C1440 H1728 O299.32 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1727","0.1242","","","0.3362","0.3708","","","","","","0.992","","","","has coordinates","288764","2024-01-06","07:36:15",""
"1570459","37.993","0.004","33.265","0.004","37.218","0.004","90","","113.35","0.005","90","","43185","8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C382 H479 N3 O80 Ti16 -","- C382 H479 N3 O80 Ti16 -","- C1528 H1916 N12 O320 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1283","0.092","","","0.2646","0.2941","","","","","","1.056","","","","has coordinates,has disorder","288764","2024-01-06","07:36:20",""
"1570460","37.982","0.007","33.195","0.006","36.904","0.007","90","","113.349","0.006","90","","42719","14","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C364 H502 Na4 O113 Ti16 -","- C364 H436 Na4 O80 Ti16 -","- C1456 H1744 Na16 O320 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1313","0.0929","","","0.2702","0.304","","","","","","1.046","","","","has coordinates,has disorder","288764","2024-01-06","07:36:33",""
"1570461","53.303","0.002","19.9467","0.0008","50.645","0.002","90","","121.288","0.002","90","","46016","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C396 H484 Cl2 N4 O68 Ti16 -","- C396 H484 Cl2 N4 O68 Ti16 -","- C1584 H1936 Cl8 N16 O272 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1051","0.0929","","","0.2724","0.2872","","","","","","1.008","","","","has coordinates,has disorder","288764","2024-01-06","07:36:37",""
"1570462","39.051","0.003","32.81","0.003","37.614","0.003","90","","115.05","0.003","90","","43660","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C380 H552 Cl4 O122 Ti16 -","- C380 H452 Cl4 O72 Ti16 -","- C1520 H1808 Cl16 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1794","0.1329","","","0.345","0.3742","","","","","","1.118","","","","has coordinates,has disorder","288764","2024-01-06","07:36:47",""
"1570463","39.0491","0.0014","32.3507","0.0012","37.9914","0.0014","90","","115.329","0.001","90","","43379","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C390 H474 N2 O71 Ti16 -","- C390 H474 N2 O71 Ti16 -","- C1560 H1896 N8 O284 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1127","0.0971","","","0.2887","0.307","","","","","","1.072","","","","has coordinates,has disorder","288764","2024-01-06","07:36:50",""
"1570464","38.447","0.002","32.9077","0.0017","37.172","0.002","90","","114.933","0.002","90","","42647","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C368 H428 N4 Na2 O70 Ti16 -","- C368 H428 N4 Na2 O70 Ti16 -","- C1472 H1712 N16 Na8 O280 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1047","0.0904","","","0.2599","0.2706","","","","","","1.048","","","","has coordinates,has disorder","288764","2024-01-06","07:36:59",""
"1570465","54.372","0.007","20.162","0.002","50.494","0.007","90","","121.984","0.004","90","","46951","10","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C382 H450 F12 N4 O72 Ti16 -","- C382 H450 F12 N4 O72 Ti16 -","- C1528 H1800 F48 N16 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1304","0.0902","","","0.2705","0.3036","","","","","","1.051","","","","has coordinates,has disorder","288764","2024-01-06","07:37:02",""
"1570466","37.9325","0.0016","32.9482","0.0015","37.0574","0.0016","90","","113.305","0.002","90","","42536","3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C380 H456 O72 Ti16 -","- C380 H456 O72 Ti16 -","- C1520 H1824 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.0993","0.0839","","","0.2501","0.2668","","","","","","1.077","","","","has coordinates,has disorder","288764","2024-01-06","07:37:05",""
"1570467","39.095","0.009","33.277","0.015","37.714","0.016","90","","114.888","0.009","90","","44508","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C198 H235 Na O46 Ti8 -","- C198 H235 Na O46 Ti8 -","- C1584 H1880 Na8 O368 Ti64 -","8","1","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1607","0.0962","","","0.2642","0.3136","","","","","","1.014","","","","has coordinates,has disorder","288764","2024-01-06","07:37:15",""
"1570468","39.19","0.0019","32.5046","0.0016","38.1646","0.0018","90","","115.461","0.002","90","","43894","4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C396 H486 N2 O72 Ti16 -","- C396 H486 N2 O72 Ti16 -","- C1584 H1944 N8 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1168","0.0999","","","0.2974","0.3146","","","","","","1.108","","","","has coordinates,has disorder","288764","2024-01-06","07:37:25",""
"1570469","38.8238","0.0016","32.5568","0.0014","37.8922","0.0016","90","","115.418","0.002","90","","43259","3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C372 H426 N2 O76 Ti16 -","- C372 H426 N2 O76 Ti16 -","- C1488 H1704 N8 O304 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.0926","0.081","","","0.2623","0.2729","","","","","","1.096","","","","has coordinates,has disorder","288764","2024-01-06","07:37:28",""
"1570478","5.867","0.003","11.79","0.004","27.983","0.009","90","","94.907","0.014","90","","1928.5","1.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fixolide 4-methylthiosemicarbazone","2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarboamide","","- C20 H31 N3 S -","- C20 H31 N3 S -","- C80 H124 N12 S4 -","4","1","BT4144","Melo, Ana Paula Lopes de; Flores, Alex Fabiani Claro; Bresolin, Leandro; Tirloni, Bárbara; Oliveira, Adriano Bof de","2-{1-[(6R,S)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamide","IUCrData","2023","8","11","","","10.1107/S2414314623010209","","x-ray","0.71073","MoKα","","0.1261","0.0785","","","0.1771","0.2012","","","","","","1.06","","","","has coordinates,has disorder","287924","2023-12-01","03:21:05",""
"1570479","15.0159","0.0007","8.0595","0.0003","10.8243","0.0005","90","","94.372","0.003","90","","1306.15","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-jasmone thiosemicarbazone","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C12 H19 N3 S -","- C12 H19 N3 S -","- C48 H76 N12 S4 -","4","1","","Oliveira, Adriano Bof de; Bresolin, Leandro; Gervini, Vanessa Carratu; Beck, Johannes; Daniels, Jörg","A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2023","8","11","","","10.1107/S2414314623010180","","x-ray","0.71073","MoKα","","0.0798","0.054","","","0.1297","0.1427","","","","","","1.086","","","","has coordinates,has disorder","287925","2023-12-01","03:21:31",""
"1570513","8.6966","0.0006","15.916","0.0012","19.1276","0.0019","90","","90","","90","","2647.5","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N2 Ni O P -","- C30 H35 N2 Ni O P -","- C120 H140 N8 Ni4 O4 P4 -","4","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0973","0.0572","","","0.0925","0.1121","","","","","","1.043","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570514","9.1318","0.0005","9.5917","0.0004","16.6693","0.0009","96.988","0.002","92.616","0.002","104.598","0.002","1397.99","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 N2 Ni O2 P -","- C32 H37 N2 Ni O2 P -","- C64 H74 N4 Ni2 O4 P2 -","2","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0657","0.0428","","","0.0823","0.0939","","","","","","1.045","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570515","10.4219","0.0008","12.3823","0.001","12.6499","0.0009","88.716","0.002","83.981","0.002","85.981","0.003","1619.3","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 N2 Ni O P -","- C40 H37 N2 Ni O P -","- C80 H74 N4 Ni2 O2 P2 -","2","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0448","0.0353","","","0.0756","0.0818","","","","","","0.99","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570516","9.3556","0.0009","6.8168","0.0007","9.3773","0.0008","90","","93.497","0.002","90","","596.93","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Br2 Cu N8 O6 -","- C4 H4 Br2 Cu N8 O6 -","- C8 H8 Br4 Cu2 N16 O12 -","2","0.5","","Lei, Guorong; Cheng, Wenchuan; Lu, Zujia; Zhang, Tonglai; Li, Zhimin; Zhang, Jianguo","A three-dimensional energetic coordination compound (BLG-1) with excellent initiating ability for lead-free primary explosives.","Materials horizons","2023","10","12","5775","5781","10.1039/d3mh01410j","","","0.71073","MoKα","","0.0428","0.0402","","","0.0969","0.0984","","","","","","1.03","","","","has coordinates","288071","2023-12-06","13:04:20",""
"1570517","8.8641","0.0007","10.0807","0.001","10.235","0.001","106.771","0.001","105.118","0.001","103.206","0.001","798.42","0.13","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Fe N12 Ni -","- C28 H32 Fe N12 Ni -","- C28 H32 Fe N12 Ni -","1","0.5","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKa","","0.0588","0.0398","","","0.1114","0.1299","","","","","","0.747","","","","has coordinates","288092","2023-12-06","18:45:52",""
"1570518","9.4355","0.0012","9.9756","0.0012","12.5092","0.0016","98.322","0.002","93.508","0.002","115.15","0.002","1044.6","0.2","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Fe N12 Ni -","- C44 H40 Fe N12 Ni -","- C44 H40 Fe N12 Ni -","1","0.5","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKα","","0.0542","0.0428","","","0.1302","0.1475","","","","","","0.927","","","","has coordinates","288093","2023-12-06","18:46:12",""
"1570519","16.452","0.007","7.273","0.003","7.423","0.003","90","","102.055","0.012","90","","868.6","0.6","275","2","275","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Fe N8 Ni -","- C14 H16 Fe N8 Ni -","- C28 H32 Fe2 N16 Ni2 -","2","0.25","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKα","","0.0411","0.0299","","","0.0868","0.1005","","","","","","0.718","","","","has coordinates","288094","2023-12-06","18:46:30",""
"1570525","3.9773","0.0003","28.477","0.002","9.5781","0.0009","90","","91.242","0.001","90","","1084.58","0.15","193","2","193.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl N2 O2 Se -","- C8 H11 Cl N2 O2 Se -","- C32 H44 Cl4 N8 O8 Se4 -","4","1","","Boeré, René T","Hydrogen Bonds Stabilize Chloroselenite Anions: Crystal Structure of a New Salt and Donor-Acceptor Bonding to SeO<sub>2</sub>.","Molecules (Basel, Switzerland)","2023","28","22","7489","","10.3390/molecules28227489","","","0.71073","MoKα","","0.0393","0.0339","","","0.0805","0.0827","","","","","","1.1032","","","","has coordinates,has disorder","288112","2023-12-07","02:58:25",""
"1570548","17.3928","0.0006","17.3928","0.0006","6.7688","0.0003","90","","90","","90","","2047.63","0.13","100","2","100","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H72 Cl2 N7 O14 Yb -","- C28 H72 Cl2 N7 O14 Yb -","- C56 H144 Cl4 N14 O28 Yb2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0213","0.015","","","0.0328","0.0344","","","","","","1.134","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570549","17.4527","0.0009","17.4527","0.0009","6.7995","0.0004","90","","90","","90","","2071.11","0.19","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C3.11 H6.72 Cl0.22 Dy0.11 N0.78 O1.56 -","- C3.11111 H7.16667 Cl0.222222 Dy0.111111 N0.777778 O1.55556 -","- C56 H129 Cl4 Dy2 N14 O28 -","18","2.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0188","0.0169","","","0.0403","0.0414","","","","","","1.116","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570550","17.4345","0.0006","17.4345","0.0006","6.7946","0.0003","90","","90","","90","","2065.3","0.14","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H67 Cl2 N7 O14 Y -","- C28 H67 Cl2 N7 O14 Y -","- C56 H134 Cl4 N14 O28 Y2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0529","0.0459","","","0.1177","0.1221","","","","","","1.038","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570551","17.3929","0.0006","17.3929","0.0006","6.7672","0.0004","90","","90","","90","","2047.17","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C56 H122 Cl4 N14 O28 Tm2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0435","0.0255","","","0.0518","0.0561","","","","","","1.062","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570552","17.4237","0.0009","17.4237","0.0009","6.7843","0.0005","90","","90","","90","","2059.6","0.2","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H0.5 Cl2 Er N7 O14 -","- C28 H63 Cl2 Er N7 O14 -","- C56 H126 Cl4 Er2 N14 O28 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0264","0.0178","","","0.0365","0.0386","","","","","","1.098","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570553","17.4077","0.0007","17.4077","0.0007","6.773","0.0004","90","","90","","90","","2052.41","0.17","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H35.5 Cl Ho0.5 N3.5 O7 -","- C14 H33.5 Cl Ho0.5 N3.5 O7 -","- C56 H134 Cl4 Ho2 N14 O28 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0354","0.022","","","0.0458","0.049","","","","","","1.093","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570554","17.4148","0.0006","17.4148","0.0006","6.7819","0.0004","90","","90","","90","","2056.78","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C56 H138 Cl4 N14 O28 Tb2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0294","0.0195","","","0.0414","0.0439","","","","","","1.119","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570560","2.9057","0.0005","2.9057","0.0005","2.9057","0.0005","90","","90","","90","","24.533","0.007","300","2","300","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","Ferroaluminium","Aluminium iron","","- Al Fe0.95 -","- Al Fe0.9499 -","- Al Fe0.9499 -","1","0.0208333","","Liu, Yibo; Liu, Huizi; Fan, Changzeng; Bin, Wen; Zhang, Lifeng","Crystal structure of AlFe0.95","IUCrData","2023","8","12","","","10.1107/S2414314623010659","","","0.71073","MoKα","","0.0097","0.0097","","","0.0262","0.0262","","","","","","1.435","","","","has coordinates","288337","2023-12-15","03:15:03",""
"1570561","15.4103","0.0003","10.1338","0.0002","13.4284","0.0002","90","","108.692","0.002","90","","1986.44","0.07","291.15","","291.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tetraaqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate dihydrate","","- C12 H26 N2 Ni O12 S2 -","- C12 H26 N2 Ni O12 S2 -","- C48 H104 N8 Ni4 O48 S8 -","4","0.5","WM4202","Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M.","Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate","IUCrData","2023","8","12","","","10.1107/S2414314623010325","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0847","0.0851","","","","","","1.047","","","","has coordinates","288338","2023-12-15","03:15:36",""
"1570568","10.4642","0.0002","6.74981","0.00013","12.5396","0.0003","90","","102.739","0.002","90","","863.89","0.03","293","2","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0329","0.0269","","","0.0561","0.0603","","","","","","1.168","","","","has coordinates","288377","2023-12-18","09:36:34",""
"1570569","10.4617","0.0003","6.74837","0.00016","12.5382","0.0003","90","","102.748","0.003","90","","863.37","0.04","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0338","0.0277","","","0.0575","0.06","","","","","","1.152","","","","has coordinates","288378","2023-12-18","09:36:55",""
"1570570","10.369","0.0003","6.7028","0.0002","12.464","0.0003","90","","102.533","0.003","90","","845.62","0.04","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Er2 O5 Si -","- Er2 O5 Si -","- Er16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0388","0.0318","","","0.0653","0.0684","","","","","","1.18","","","","has coordinates","288379","2023-12-18","09:37:16",""
"1570571","10.4156","0.0002","6.7273","0.0001","12.5019","0.0003","90","","102.63","0.002","90","","854.8","0.03","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ho2 O5 Si -","- Ho2 O5 Si -","- Ho16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0295","0.0264","","","0.0598","0.0614","","","","","","1.157","","","","has coordinates","288380","2023-12-18","09:37:37",""
"1570593","13.4628","0.0002","17.2828","0.0003","21.7586","0.0004","84.624","0.002","84.857","0.003","85.114","0.004","5005.05","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","<i>meso</i>-α,α-5,15-Bis(<i>o</i>-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","<i>meso</i>-α,α-5,15-Bis(2-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","","- C62 H52 N8 O2 -","- C62 H52 N8 O2 -","- C248 H208 N32 O8 -","4","2","BH4080","Sun, Xiaotao; Li, Jianfeng","meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate","IUCrData","2023","8","12","","","10.1107/S2414314623010854","","","0.71073","MoKα","","0.1108","0.0721","","","0.1795","0.2231","","","","","","1.07","","","","has coordinates,has disorder","288528","2023-12-23","03:04:37",""
"1570651","13.956","0.003","13.033","0.003","23.58","0.005","90","","93.21","0.006","90","","4282.2","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N6 O -","- C56 H40 N6 O -","- C224 H160 N24 O4 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1629","0.0882","","","0.1764","0.2104","","","","","","1.06","","","","has coordinates","288673","2024-01-04","10:01:09",""
"1570652","9.771","0.003","21.156","0.007","22.933","0.008","90","","90","","90","","4741","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H42 Cl2 N6 -","- C57 H42 Cl2 N6 -","- C228 H168 Cl8 N24 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1403","0.067","","","0.1568","0.1857","","","","","","1.039","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570653","12.415","0.002","11.6613","0.0019","17.594","0.003","90","","109.655","0.005","90","","2398.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 Cl4 N6 -","- C58 H44 Cl4 N6 -","- C116 H88 Cl8 N12 -","2","0.5","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1258","0.1161","","","0.3582","0.3634","","","","","","1.339","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570654","10","","2.7732","","1.51","","90","","90","","90","","41.875","","","","","","","","","","","","","1","P m m m","-P 2 2","47","","","","- V -","- V -","- V6 -","6","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:02",""
"1570655","3.63202","","3.32551","","2.5554","","90","","90","","90","","30.865","","","","","","","","","","","","","1","C 2 2 21","C 2c 2","20","","","","- S -","- S -","- S24 -","24","3","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570656","4.20442","","3.37278","","3.16417","","90","","90","","90","","44.87","","","","","","","","","","","","","1","C 2 2 21","C 2c 2","20","","","","- S -","- S -","- S24 -","24","3","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570657","4.2493","","4.2493","","1.73409","","90","","90","","120","","27.117","","","","","","","","","","","","","1","R 3 2 :H","R 3 2""","155","","","","- S -","- S -","- S18 -","18","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570658","5.2785","","5.2785","","5.2785","","90","","90","","90","","147.073","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","","","- O4 S3 -","- O4 S3 -","- O8 S6 -","2","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570659","2.45007","","2.45007","","4.89666","","90","","90","","90","","29.394","","","","","","","","","","","","","2","P 42/m c m","-P 4c 2c","132","","","","- O3 S4 -","- O3 S4 -","- O6 S8 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570660","4.60193","","4.60193","","4.60193","","90","","90","","90","","97.459","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C3 N O -","- C3 N O -","- C24 N8 O8 -","8","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570661","1.89375","","1.89375","","3.44983","","90","","90","","120","","10.715","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C2 O -","- C2 O -","- C6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570662","3.57923","","3.57923","","3.57923","","90","","90","","90","","45.853","","","","","","","","","","","","","1","I -4 3 d","I -4bd 2c 3","220","","","","- C -","- C -","- C36 -","36","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570663","5.50285","","5.50285","","4.08619","","90","","90","","120","","107.158","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C2 O -","- C2 O -","- C36 O18 -","18","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570664","1.89375","","1.89375","","3.44983","","90","","90","","120","","10.715","","","","","","","","","","","","","1","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C -","- C -","- C9 -","9","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570665","4.74478","","4.74478","","4.74478","","90","","90","","90","","106.819","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C2 O -","- C2 O -","- C48 O24 -","24","0.5","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570666","2.776","","2.776","","2.776","","90","","90","","90","","21.392","","","","","","","","","","","","","2","P n -3 :2","-P 2ab 2bc 3","201","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.166667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570667","2.54838","","2.54838","","3.73553","","90","","90","","90","","24.259","","","","","","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570668","2.77588","","2.77588","","2.77623","","90","","90","","90","","21.392","","","","","","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","","","","- C3 O -","- C3 O -","- C12 O4 -","4","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570669","4.43069","","4.43069","","4.43069","","90","","90","","90","","86.979","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570670","4.43066","","4.43066","","4.43066","","90","","90","","90","","86.977","","","","","","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.166667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570671","4.2197","","4.2197","","4.2197","","90","","90","","90","","75.135","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570672","4.19386","","4.19386","","4.19386","","90","","90","","90","","73.764","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570673","3.79654","","3.79654","","3.79654","","90","","90","","90","","54.722","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570674","3.5931","","3.5931","","3.5931","","90","","90","","90","","46.388","","","","","","","","","","","","","2","I 41 3 2","I 4bd 2c 3","214","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570675","4.09382","","4.09382","","4.09382","","90","","90","","90","","68.61","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.666667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570676","2.12045","","2.12045","","2.45424","","90","","90","","90","","11.035","","","","","","","","","","","","","2","I 4 2 2","I 4 2","97","","","","- C4 O -","- C4 O -","- C8 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570677","1.7889","","1.7889","","1.7889","","90","","90","","90","","5.725","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- C6 O -","- C6 O -","- C12 O2 -","2","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570678","2.21608","","2.21608","","2.21608","","90","","90","","90","","10.883","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","","","- C6 O -","- C6 O -","- C12 O2 -","2","0.0833333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570679","2.18345","","2.18345","","2.18345","","90","","90","","90","","10.409","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- C12 O -","- C12 O -","- C24 O2 -","2","0.0208333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570680","4.11415","","4.11415","","4.11415","","90","","90","","90","","69.637","","","","","","","","","","","","","3","F 41 3 2","F 4d 2 3","210","","","","- C6 N O2 -","- C6 N O2 -","- C48 N8 O16 -","8","0.0833333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570681","2.77525","","2.77525","","2.77525","","90","","90","","90","","21.375","","","","","","","","","","","","","3","P 4 3 2","P 4 2 3","207","","","","- C12 N8 O3 -","- C12 N8 O3 -","- C12 N8 O3 -","1","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570682","3.266","","3.266","","1.1547","","90","","90","","120","","10.667","","","","","","","","","","","","","3","P 6 2 2","P 6 2","177","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570683","6.0955","","6.0955","","2.31337","","90","","90","","120","","74.438","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570684","4.93261","","4.93261","","2.36698","","90","","90","","120","","49.875","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570685","5.88545","","5.88545","","1.65287","","90","","90","","120","","49.583","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570686","3.266","","3.266","","1.1547","","90","","90","","120","","10.667","","","","","","","","","","","","","3","P 6/m","-P 6","175","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570687","2.37485","","2.37485","","2.16458","","90","","90","","90","","12.208","","","","","","","","","","","","","3","I 4 2 2","I 4 2","97","","","","- C4 N2 O -","- C4 N2 O -","- C8 N4 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570688","2.37513","","2.37513","","2.16441","","90","","90","","90","","12.21","","","","","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C4 N2 O -","- C4 N2 O -","- C8 N4 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570689","4.71504","","4.71504","","2.98081","","90","","90","","90","","66.268","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- C12 N4 O3 -","- C12 N4 O3 -","- C24 N8 O6 -","2","0.0625","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570690","2.3094","","2.3094","","2.3094","","90","","90","","90","","12.317","","","","","","","","","","","","","3","P n -3 n :1","P 4 2 3 -1n","222","","","","- C12 N4 O3 -","- C12 N4 O3 -","- C24 N8 O6 -","2","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570691","2.3094","","2.3094","","2.3094","","90","","90","","90","","12.317","","","","","","","","","","","","","3","I 4 3 2","I 4 2 3","211","","","","- C12 N4 O3 -","- C12 N4 O3 -","- C24 N8 O6 -","2","0.0416667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570692","1.1547","","1.1547","","1.1547","","90","","90","","90","","1.54","","","","","","","","","","","","","3","P 4 2 2","P 4 2","89","","","","- C4 N O -","- C4 N O -","- C4 N O -","1","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"1570706","10.5831","0.0012","22.694","0.003","5.3843","0.0006","90","","90","","90","","1293.2","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi6 O15 Te2 -","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","4","0.5","","Kim, Sun Woo; Chang, Hong Young","Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15","Crystals","2023","14","1","23","","10.3390/cryst14010023","","","0.71073","MoKα","","0.0475","0.0364","","","0.0744","0.0791","","","","","","1.079","","","","has coordinates","288915","2024-01-06","15:56:57",""
"1570707","5.6914","0.0006","5.6914","0.0006","7.37","0.003","90","","90","","120","","206.75","0.09","573","0.4","573","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K Na O4 S -","- K Na O4 S -","- K2 Na2 O8 S2 -","2","0.166667","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.0718","0.057","","","0.0875","0.088","","","","4.25","4.25","3.73","","","","has coordinates","288916","2024-01-06","15:57:25",""
"1570708","5.669","0.005","5.669","0.005","7.75","0.003","90","","90","","120","","215.7","0.3","773","0.6","773","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O3.9999 S -","- K2 Na2 O7.9998 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.1185","0.0559","","","0.0591","0.0665","","","","2.74","2.74","1.74","","","","has coordinates","288917","2024-01-06","15:58:04",""
"1570709","5.654","0.002","5.654","0.002","8.353","0.004","90","","90","","120","","231.25","0.16","1023","","1023","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O4.0005 S -","- K2 Na2 O8.001 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.2826","0.0476","","","0.0469","0.1026","","","","1.35","1.35","1.16","","","","has coordinates","288918","2024-01-06","15:58:44",""
"1570710","3.6259","0.0014","3.6259","0.0014","6.29","0.002","90","","90","","120","","71.62","0.05","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Se0.72 Te1.28 V1.13 -","- Se0.72 Te1.28 V1.128 -","- Se0.72 Te1.28 V1.128 -","1","0.0833333","","Kurig, Sophia; Ketter, Fabian; Frommelius, Anne; Hakala, B. Viliam; van Leusen, Jan; Friese, Karen; Dronskowski, Richard","Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System","Inorganics","2023","11","12","481","","10.3390/inorganics11120481","","","0.71073","MoKα","","0.0222","0.0204","","","0.0482","0.0491","","","","","","1.208","","","","has coordinates","288919","2024-01-06","19:08:11",""
"1570711","3.633","0.007","3.633","0.007","6.365","0.012","90","","90","","120","","72.8","0.2","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Se0.42 Te1.58 V1.1 -","- Se0.42 Te1.58 V1.099 -","- Se0.42 Te1.58 V1.099 -","1","0.0833333","","Kurig, Sophia; Ketter, Fabian; Frommelius, Anne; Hakala, B. Viliam; van Leusen, Jan; Friese, Karen; Dronskowski, Richard","Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System","Inorganics","2023","11","12","481","","10.3390/inorganics11120481","","","0.71073","MoKα","","0.0202","0.0192","","","0.0411","0.0416","","","","","","0.987","","","","has coordinates","288920","2024-01-06","19:08:47",""
"1570712","10.2795","0.0003","11.81","0.0003","18.7503","0.0004","98.07","0.002","103.124","0.002","106.865","0.002","2068.9","0.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H39 Ag B F4 N2 O2 P -","- C48 H39 Ag B F4 N2 O2 P -","- C96 H78 Ag2 B2 F8 N4 O4 P2 -","2","1","","Glykos, Dimitrios; Plakatouras, John C.; Malandrinos, Gerasimos","Solution-State Studies, X-ray Structure Determination and Luminescence Properties of an Ag(I) Heteroleptic Complex Containing 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine","Inorganics","2023","11","12","467","","10.3390/inorganics11120467","","","0.71073","MoKα","","0.0485","0.0324","","","0.0728","0.079","","","","","","1.052","","","","has coordinates","288921","2024-01-06","19:09:10",""
"1570713","7.292","0.0006","10.7627","0.0006","10.0442","0.0008","90","","94.795","0.006","90","","785.53","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cl4 N8 Si -","- C10 H8 Cl4 N8 Si -","- C20 H16 Cl8 N16 Si2 -","2","0.5","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0386","0.032","","","0.072","0.077","","","","","","1.277","","","","has coordinates","288922","2024-01-06","19:09:53",""
"1570714","8.4988","0.0008","17.5628","0.0015","11.3833","0.0011","90","","101.86","0.007","90","","1662.8","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl4 N8 Si -","- C10 H8 Cl4 N8 Si -","- C40 H32 Cl16 N32 Si4 -","4","0.5","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0413","0.029","","","0.0669","0.0723","","","","","","1.082","","","","has coordinates","288922","2024-01-06","19:09:54",""
"1570715","9.1259","0.0003","11.9037","0.0003","9.7351","0.0004","90","","99.034","0.003","90","","1044.42","0.06","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0421","0.0374","","","0.0897","0.0922","","","","","","1.075","","","","has coordinates","288922","2024-01-06","19:09:54",""
"1570716","5.677","0.0004","7.1648","0.0005","13.4102","0.0011","75.071","0.006","79.636","0.006","89.686","0.006","517.96","0.07","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C26 H20 N8 -","2","1","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0707","0.0488","","","0.1226","0.1323","","","","","","1.052","","","","has coordinates","288922","2024-01-06","19:09:54",""
"1570717","36.7954","0.0007","6.4842","0.00012","19.5726","0.0004","90","","102.487","0.0008","90","","4559.34","0.15","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N O2 P -","- C30 H22 N O2 P -","- C240 H176 N8 O16 P8 -","8","1","","Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji","The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings","Molecules","2023","29","1","38","","10.3390/molecules29010038","","","1.54187","CuKα","","0.057","0.0502","","","0.1424","0.1482","","","","","","1.073","","","","has coordinates","288928","2024-01-07","02:51:27",""
"1570718","9.0262","0.0002","10.954","0.0002","20.2813","0.0004","90","","100.093","0.001","90","","1974.24","0.07","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N O P -","- C26 H18 N O P -","- C104 H72 N4 O4 P4 -","4","1","","Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji","The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings","Molecules","2023","29","1","38","","10.3390/molecules29010038","","","1.54187","CuKα","","0.0455","0.0412","","","0.116","0.1191","","","","","","1.101","","","","has coordinates","288929","2024-01-07","02:52:22",""
"1570719","11.273","0.005","13.638","0.008","22.354","0.014","73.72","0.02","87.76","0.02","88.16","0.02","3296","3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 B10 N7 O2 Pb -","- C28 H33 B10 N7 O2 Pb -","- C112 H132 B40 N28 O8 Pb4 -","4","2","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.135","0.0797","","","0.1833","0.2117","","","","","","1.025","","","","has coordinates,has disorder","288930","2024-01-07","02:53:19",""
"1570720","9.377","0.003","17.981","0.006","19.298","0.01","99.786","0.019","95.463","0.018","97.987","0.009","3152","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 B10 N16 O7 Pb2 -","- C59 H60 B10 N16 O7 Pb2 -","- C118 H120 B20 N32 O14 Pb4 -","2","1","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.0687","0.0517","","","0.1057","0.1127","","","","","","1.074","","","","has coordinates","288931","2024-01-07","02:54:12",""
"1570721","16.8622","0.0008","17.0582","0.0008","18.224","0.0009","90","","109.153","0.002","90","","4951.8","0.4","150","","150","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C35 H38.5 B10 N11.5 O8.12 Pb2 -","- C35 H38.5 B10 N11.5 O8.125 Pb2 -","- C140 H154 B40 N46 O32.5 Pb8 -","4","1","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.1173","0.0706","","","0.1628","0.1868","","","","","","1.014","","","","has coordinates,has disorder","288932","2024-01-07","02:55:06",""
"1570722","19.758","0.006","13.276","0.002","19.385","0.007","90","","96.157","0.014","90","","5055","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H59 B10 N3 O P2 -","- C53 H59 B10 N3 O P2 -","- C212 H236 B40 N12 O4 P8 -","4","1","","Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.","Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.","Molecules (Basel, Switzerland)","2023","28","24","8073","","10.3390/molecules28248073","","","0.71073","MoKα","","0.1589","0.0789","","","0.1733","0.2253","","","","","","1.036","","","","has coordinates","288933","2024-01-07","02:55:58",""
"1570725","17.264","0.003","8.1402","0.0012","8.3591","0.0012","90","","99.694","0.005","90","","1158","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[bis((3-chlorophenyl)methanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Cl2 Ge I4 N2 -","- C14 H18 Cl2 Ge I4 N2 -","- C28 H36 Cl4 Ge2 I8 N4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0217","0.0173","","","0.0331","0.0339","","","","","","1.095","","","","has coordinates","288960","2024-01-09","19:16:54",""
"1570726","16.58","0.003","8.1987","0.0012","8.2557","0.0011","90","","98.308","0.004","90","","1110.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[bis((3-fluorophenyl)methanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 F2 Ge I4 N2 -","- C14 H18 F2 Ge I4 N2 -","- C28 H36 F4 Ge2 I8 N4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0567","0.0379","","","0.0818","0.0879","","","","","","1.077","","","","has coordinates","288961","2024-01-09","19:17:05",""
"1570727","34.5436","0.0018","8.1885","0.0005","8.2783","0.0005","90","","90","","90","","2341.6","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-[bis((4-bromophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Br2 Ge I4 N2 -","- C14 H18 Br2 Ge I4 N2 -","- C56 H72 Br8 Ge4 I16 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0697","0.0517","","","0.0847","0.0892","","","","","","1.359","","","","has coordinates","288962","2024-01-09","19:17:25",""
"1570728","35.387","0.003","8.3595","0.0008","8.5792","0.0008","90","","90","","90","","2537.9","0.4","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-[bis[4-(trifluoromethyl)benzylammonium] bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H16 F6 Ge I4 N2 -","- C16 H16 F6 Ge I4 N2 -","- C64 H64 F24 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0903","0.0582","","","0.1351","0.152","","","","","","1.025","","","","has coordinates","288963","2024-01-09","19:17:35",""
"1570729","11.9349","0.0011","6.0242","0.0006","34.381","0.003","90","","90","","90","","2471.9","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-[bis(2-(4-chlorophenyl)ethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]'","","- C16 H22 Cl2 Ge I4 N2 -","- C16 H22 Cl2 Ge I4 N2 -","- C64 H88 Cl8 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0739","0.0392","","","0.0667","0.0767","","","","","","1.005","","","","has coordinates,has disorder","288964","2024-01-09","19:17:46",""
"1570730","34.1352","0.0009","8.1304","0.0002","8.3002","0.0002","90","","90","","90","","2303.58","0.1","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-[bis((4-chlorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Cl2 Ge I4 N2 -","- C14 H18 Cl2 Ge I4 N2 -","- C56 H72 Cl8 Ge4 I16 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.54178","CuKα","","0.0456","0.0412","","","0.1079","0.1111","","","","","","1.061","","","","has coordinates","288965","2024-01-09","19:17:56",""
"1570731","11.971","0.003","11.987","0.003","16.761","0.005","79.689","0.009","84.394","0.009","89.99","0.008","2354.6","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(2-(4-fluorophenyl)ethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H22 F2 Ge I4 N2 -","- C16 H22 F2 Ge I4 N2 -","- C64 H88 F8 Ge4 I16 N8 -","4","2","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0877","0.0416","","","0.0764","0.0882","","","","","","0.999","","","","has coordinates","288966","2024-01-09","19:18:06",""
"1570732","16.4276","0.0015","8.2654","0.0008","8.2637","0.0007","90","","98.035","0.003","90","","1111.04","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-[bis((4-fluorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","","- C14 H18 F2 Ge I4 N2 -","- C14 H18 F2 Ge I4 N2 -","- C28 H36 F4 Ge2 I8 N4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0514","0.0306","","","0.0485","0.0524","","","","","","1.04","","","","has coordinates","288967","2024-01-09","19:18:16",""
"1570733","10.5352","0.0003","31.0969","0.0009","5.2099","0.0002","90","","90","","90","","1706.83","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-[bis((4-fluorophenyl)methylammonium) bis(m-chloro)-dichloro-copper(ii)]","","- C14 H18 Cl4 Cu F2 N2 -","- C14 H18 Cl4 Cu F2 N2 -","- C56 H72 Cl16 Cu4 F8 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.54178","CuKα","","0.0351","0.0319","","","0.0815","0.0837","","","","","","1.072","","","","has coordinates","288968","2024-01-09","19:18:26",""
"1570734","8.4111","0.0009","34.575","0.004","8.3164","0.0008","90","","90","","90","","2418.5","0.4","150","2","150","2","","","","","","","","5","C c c 2","C 2 -2c","37","","catena-[bis((4-iodophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Ge I6 N2 -","- C14 H18 Ge I6 N2 -","- C56 H72 Ge4 I24 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0533","0.0459","","","0.0949","0.0972","","","","","","1.283","","","","has coordinates","288969","2024-01-09","19:18:36",""
"1570735","17.9943","0.0012","10.2787","0.0008","8.054","0.0006","90","","90","","90","","1489.65","0.19","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(ammoniomethyl)pyridin-1-ium triiodo-germanium(ii) iodide","","- C6 H10 Ge I4 N2 -","- C6 H10 Ge I4 N2 -","- C24 H40 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.1367","0.0974","","","0.2609","0.2835","","","","","","1.153","","","","has coordinates","288970","2024-01-09","19:18:47",""
"1570736","8.2561","0.0003","8.6468","0.0004","27.5966","0.0013","90","","90","","90","","1970.09","0.15","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(butylammonium) triiodo-germanium(ii) iodide","","- C8 H24 Ge I4 N2 -","- C8 H24 Ge I4 N2 -","- C32 H96 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.34139","GaKα","","0.097","0.0623","","","0.1597","0.1768","","","","","","1.035","","","","has coordinates","288971","2024-01-09","19:18:57",""
"1570737","8.4068","0.0003","45.0015","0.0016","8.3314","0.0003","90","","90","","90","","3151.9","0.2","150","","150","","","","","","","","","7","A e m 2","A 2 -2b","39","","catena-[bis((4-chlorophenyl)methanaminium) tetrakis(m-iodo)-triodo-cesium-di-germanium]","","- C14 H18 Cl2 Cs Ge2 I7 N2 -","- C14 H18 Cl2 Cs Ge2 I7 N2 -","- C56 H72 Cl8 Cs4 Ge8 I28 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.07","0.0565","","","0.1494","0.1603","","","","","","1.12","","","","has coordinates","288972","2024-01-09","19:19:07",""
"1570738","8.4602","0.001","8.4602","0.001","11.0201","0.0016","90","","90","","120","","683.09","0.15","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Methylammonium tris(iodo)-germanium","","","- C3 H18 Ge3 I9 N3 -","- C2.9997 Ge3 I9 N3 -","- C2.9997 Ge3 I9 N3 -","1","0.0555556","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.068","0.0338","","","0.0472","0.0543","","","","","","1.078","","","","has coordinates","288973","2024-01-09","19:19:18",""
"1570739","8.2572","0.0004","21.5648","0.0008","13.2995","0.0006","90","","96.915","0.002","90","","2350.95","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tetrakis(phenylmethanaminium)tri(iodo)-germanium(II) tetraiodo-germanium(ii)","","- C28 H40 Ge3 I10 N4 -","- C28 H40 Ge3 I10 N4 -","- C56 H80 Ge6 I20 N8 -","2","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0274","0.0235","","","0.0531","0.0539","","","","","","1.048","","","","has coordinates","288974","2024-01-09","19:19:28",""
"1570740","8.1291","0.0006","8.8236","0.0006","25.322","0.002","90","","97.632","0.003","90","","1800.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-[bis(2-iodoethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C4 H14 Ge I6 N2 -","- C4 H14 Ge I6 N2 -","- C16 H56 Ge4 I24 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0369","0.0264","","","0.0622","0.065","","","","","","1.039","","","","has coordinates","288975","2024-01-09","19:19:38",""
"1570741","6.2764","0.0002","23.0661","0.0008","6.4271","0.0002","90","","96.433","0.001","90","","924.61","0.05","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(morpholin-4-ium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C8 H20 Ge I4 N2 O2 -","- C8 H20 Ge I4 N2 O2 -","- C16 H40 Ge2 I8 N4 O4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.0331","0.0325","","","0.0822","0.0827","","","","","","1.061","","","","has coordinates","288976","2024-01-09","19:19:48",""
"1570742","13.0687","0.001","19.3506","0.0012","6.103","0.0004","90","","90","","90","","1543.37","0.18","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-(bis((2-Hydroxyethyl)ammonium) bis(m-iodo)-di-iodo-germanium(ii))","","- C4 H16 Ge I4 N2 O2 -","- C4 H16 Ge I4 N2 O2 -","- C16 H64 Ge4 I16 N8 O8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0237","0.0182","","","0.0325","0.0332","","","","","","1.108","","","","has coordinates","288977","2024-01-09","19:19:58",""
"1570743","11.868","0.0005","11.9612","0.0005","17.2893","0.0008","80.036","0.002","76.75","0.002","89.983","0.002","2350.96","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(2-(4-Hydroxyphenyl)ethanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H24 Ge I4 N2 O2 -","- C16 H24 Ge I4 N2 O2 -","- C64 H96 Ge4 I16 N8 O8 -","4","2","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0515","0.0344","","","0.096","0.102","","","","","","1.107","","","","has coordinates","288978","2024-01-09","19:20:08",""
"1570744","8.389","0.0008","11.1217","0.0011","14.7309","0.0012","90.206","0.003","104.865","0.003","109.288","0.003","1247.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-[tetrakis(1,3-(propane-1,3-diaminium) bis(m-iodo)-bis(iodo)-germanium(ii)] dihydrate","","- C12 H52 Ge3 I14 N8 O2 -","- C12 H52 Ge3 I14 N8 O2 -","- C12 H52 Ge3 I14 N8 O2 -","1","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0352","0.0236","","","0.0411","0.0426","","","","","","1.06","","","","has coordinates","288979","2024-01-09","19:20:24",""
"1570751","5.6095","0.0008","6.1259","0.0007","23.758","0.003","90","","95.288","0.004","90","","812.93","0.18","","","298","","","","100","","","","","8","P 1 21/c 1","-P 2ybc","14","NiCu4(SO4)2(OH)6*6H2O","","asagiite","- Co0.18 Cu3.44 Fe0.01 H18.05 Ni0.76 O20 S2 Zn0.59 -","- Cu4 Ni O20 S2 -","- Cu8 Ni2 O40 S4 -","2","0.5","","Nishio-Hamane, D.; Yajima, T.; Shimobayashi, N.; Ohnishi, M.; Niwa, T.","Asagiite, NiCu4(SO4)2(OH)6*6H2O, a new member of the ktenasite group from the Nakauri mine, Shinshiro City, Aichi Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2023","","","1","8","10.2465/jmps.230711","","","","","","","","","","","","","","","","","","","","","has coordinates","289014","2024-01-10","02:58:08",""
"1570752","9.0356","0.0002","12.1065","0.0002","4.9329","0.0001","90","","100.421","0.002","90","","530.707","0.018","","","120","","","","100","","","","","7","P 1 21/m 1","-P 2yb","11","Ba(Fe0.82Mg0.18)2(Al0.91Fe0.09)2(PO4)3(OH)3 at 120 K","","kulanite at 120 K","- Al1.82 Ba Fe1.82 H3 Mg0.36 O15 P3 -","- Al1.826 Ba Fe1.818 H3 Mg0.356 O15 P3 -","- Al3.652 Ba2 Fe3.636 H6 Mg0.712 O30 P6 -","2","0.5","","Yamane, R.; Tokuda, M.; Sugiyama, K.","Determination of orientational ordering of hydroxy groups in kulanite between 120-353 K using single-crystal X-ray diffraction","Journal of Mineralogical and Petrological Sciences","2023","","","1","6","10.2465/jmps.220701","","","","","","","","","","","","","","","","","","","","","has coordinates","289015","2024-01-10","02:59:07",""
"1570753","5.2427","0.0001","5.2427","0.0001","11.372","0.0002","90","","90","","90","","312.57","0.01","","","298","","","","100","","","","","3","I 41/a :2","-I 4ad","88","CaWO4","","scheelite","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.","Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220901","","","","","","","","","","","","","","","","","","","","","has coordinates","289016","2024-01-10","03:01:57",""
"1570754","5.2236","0.0001","5.2236","0.0001","11.4285","0.0004","90","","90","","90","","311.838","0.014","","","298","","","","100","","","","","3","I 41/a :2","-I 4ad","88","CaMoO4","","powellite","- Ca Mo O4 -","- Ca Mo O4 -","- Ca4 Mo4 O16 -","4","0.25","","Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.","Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220901","","","","","","","","","","","","","","","","","","","","","has coordinates","289017","2024-01-10","03:02:28",""
"1570755","5.24","0.0001","5.24","0.0001","11.381","0.0003","90","","90","","90","","312.495","0.012","","","298","","","","100","","","","","4","I 41/a :2","-I 4ad","88","CaW0.78Mo0.22O4","","scheelite-powellite solid solution","- Ca Mo0.22 O4 W0.78 -","- Ca Mo0.221 O4 W0.779 -","- Ca4 Mo0.884 O16 W3.116 -","4","0.25","","Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.","Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220901","","","","","","","","","","","","","","","","","","","","","has coordinates","289018","2024-01-10","03:03:21",""
"1570756","5.2368","0.0001","5.2368","0.0001","11.3972","0.0004","90","","90","","90","","312.558","0.014","","","298","","","","100","","","","","4","I 41/a :2","-I 4ad","88","CaW0.66Mo0.34O4","","scheelite-powellite solid solution","- Ca Mo0.34 O4 W0.66 -","- Ca Mo0.34 O4 W0.66 -","- Ca4 Mo1.36 O16 W2.64 -","4","0.25","","Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.","Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220901","","","","","","","","","","","","","","","","","","","","","has coordinates","289019","2024-01-10","03:04:01",""
"1570757","5.2338","0.0001","5.2338","0.0001","11.4011","0.0002","90","","90","","90","","312.306","0.01","","","298","","","","100","","","","","4","I 41/a :2","-I 4ad","88","CaW0.51Mo0.49O4","","scheelite-powellite solid solution","- Ca Mo0.49 O4 W0.51 -","- Ca Mo0.487 O4 W0.513 -","- Ca4 Mo1.948 O16 W2.052 -","4","0.25","","Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.","Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220901","","","","","","","","","","","","","","","","","","","","","has coordinates","289020","2024-01-10","03:04:42",""
"1570758","5.227","0.0001","5.227","0.0001","11.4095","0.0003","90","","90","","90","","311.725","0.012","","","298","","","","100","","","","","4","I 41/a :2","-I 4ad","88","CaW0.21Mo0.79O4","","scheelite-powellite solid solution","- Ca Mo0.79 O4 W0.21 -","- Ca Mo0.785 O4 W0.215 -","- Ca4 Mo3.14 O16 W0.86 -","4","0.25","","Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.","Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220901","","","","","","","","","","","","","","","","","","","","","has coordinates","289021","2024-01-10","03:05:20",""
"1570775","6.5489","0.0007","8.6261","0.0009","10.4909","0.0011","93.254","0.001","94.866","0.001","90.838","0.001","589.45","0.11","","","298","","","","100","","","","","3","P -1","-P 1","2","alpha-Na2B4O7","","alpha-Na2B4O7","- B4 Na2 O7 -","- B4 Na2 O7 -","- B16 Na8 O28 -","4","2","","Nishiyasu, W.; Kyono, A.","Crystal structures of anhydrous borax alpha-Na2B4O7 and gamma-Na2B4O7 and ab initio quantum chemical calculations of structural stability on their fundamental building blocks","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.230112","","","","","","","","","","","","","","","","","","","","","has coordinates","289070","2024-01-13","01:40:10",""
"1570776","6.7123","0.0011","9.6052","0.0017","13.27","0.002","104.183","0.004","91.56","0.004","106.501","0.004","791","0.2","","","298","","","","100","","","","","3","P -1","-P 1","2","gamma-Na2B4O7","","gamma-Na2B4O7","- B4 Na2 O7 -","- B4 Na2 O7 -","- B24 Na12 O42 -","6","3","","Nishiyasu, W.; Kyono, A.","Crystal structures of anhydrous borax alpha-Na2B4O7 and gamma-Na2B4O7 and ab initio quantum chemical calculations of structural stability on their fundamental building blocks","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.230112","","","","","","","","","","","","","","","","","","","","","has coordinates","289071","2024-01-13","01:40:53",""
"1570777","12.24095","0.00008","12.24095","0.00008","12.24095","0.00008","90","","90","","90","","1834.19","0.02","","","298","","","","100","","","","","11","I a -3 d","-I 4bd 2c 3","230","hydrogrossular","","S-bearing katoite","- Al1.614 Ca3 Cl0.048 F0.147 Fe0.208 H7.192 Mg0.063 O11.804 S0.109 Si1.12 Ti0.019 -","- Al1.486 Ca3 Fe0.36 O12 S0.154 Si1.218 -","- Al11.888 Ca24 Fe2.88 O96 S1.232 Si9.744 -","8","0.0833333","","Banno, Y.; Momma, K.; Miyawaki, R.; Bunno, M.","New data on S-bearing katoite from Tadano, Fukushima Prefecture, Japan: an implication of the presence of both (SO3)2- and (SO4)2- in the garnet structure","Journal of Mineralogical and Petrological Sciences","2023","","","1","10","10.2465/jmps.220724","","","","","","","","","","","","","","","","","","","","","has coordinates","289073","2024-01-13","02:22:00",""
"1570810","12.4019","0.0014","14.8205","0.0019","14.9762","0.0018","105.936","0.004","113.662","0.003","94.486","0.004","2368.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>':κ<i>S</i>)bis[(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] dimethylformamide disolvate","","- C52 H52 Fe N3 O S4 -","- C52 H52 Fe N3 O S4 -","- C104 H104 Fe2 N6 O2 S8 -","2","1","IM4022","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate","IUCrData","2023","9","1","","","10.1107/S2414314623010830","","","0.71073","MoKα","","0.0431","0.0328","","","0.0803","0.0901","","","","","","1.0731","","","","has coordinates","289172","2024-01-20","02:49:57",""
"1570922","7.4256","0.0004","17.6074","0.0012","18.3241","0.0013","90","","90","","90","","2395.8","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pd S -","- C9 H13 Cl2 N3 Pd S -","- C72 H104 Cl16 N24 Pd8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0396","0.0335","","","0.0787","0.085","","","","","","1.084","","","","has coordinates","289701","2024-02-05","16:47:25",""
"1570923","16.317","0.003","6.7035","0.001","8.7925","0.0014","90","","95.489","0.009","90","","957.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H7 Cl2 N3 Pd S -","- C6 H7 Cl2 N3 Pd S -","- C24 H28 Cl8 N12 Pd4 S4 -","4","0.5","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0257","0.0243","","","0.0643","0.0654","","","","","","0.875","","","","has coordinates","289702","2024-02-05","16:48:44",""
"1570924","8.9806","0.0005","7.3615","0.0004","16.2772","0.001","90","","101.738","0.002","90","","1053.59","0.1","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cl2 N3 Pd S -","- C7 H9 Cl2 N3 Pd S -","- C28 H36 Cl8 N12 Pd4 S4 -","4","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0173","0.0161","","","0.0503","0.0513","","","","","","1.057","","","","has coordinates","289703","2024-02-05","16:49:31",""
"1570925","17.9491","0.0018","7.2963","0.0007","17.5523","0.0015","90","","91.305","0.003","90","","2298.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl2 N3 Pd S -","- C8 H11 Cl2 N3 Pd S -","- C64 H88 Cl16 N24 Pd8 S8 -","8","2","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.086","0.059","","","0.1311","0.1411","","","","","","1.06","","","","has coordinates","289704","2024-02-05","16:50:28",""
"1570926","9.498","0.003","11.092","0.004","11.502","0.004","66.569","0.013","77.15","0.013","74.427","0.013","1061.8","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 N4 Pd S -","- C21 H20 Cl2 N4 Pd S -","- C42 H40 Cl4 N8 Pd2 S2 -","2","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0525","0.034","","","0.0797","0.0869","","","","","","0.987","","","","has coordinates","289705","2024-02-05","16:51:24",""
"1570927","9.5024","0.0006","9.7838","0.0006","11.4434","0.0007","76.448","0.003","71.639","0.003","62.954","0.003","894.07","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl2 N3 Pd S -","- C18 H15 Cl2 N3 Pd S -","- C36 H30 Cl4 N6 Pd2 S2 -","2","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0541","0.0347","","","0.0653","0.0705","","","","","","1.051","","","","has coordinates","289706","2024-02-05","16:52:48",""
"2022699","17.6747","0.0003","15.7656","0.0002","10.9086","0.0002","90","","105.666","0.002","90","","2926.79","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-Diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2<i>H</i>-3,8-methanopyrano[3,2-<i>c</i>]pyridine-3,4a-dicarbonitrile <i>N</i>,<i>N</i>-dimethylformamide monosolvate","4,10-Diimino-8-methyl-2,11-bis(4-methylphenyl)-6-oxo-5-phenyl-9-oxa-5-azatricyclo[5.3.1.0^3,8^]undecane-1,3-dicarbonitrile <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C35 H34 N6 O3 -","- C35 H34 N6 O3 -","- C140 H136 N24 O12 -","4","1","WM5672","Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2,5-di-imino-8a-methyl-4,9-bis-(4-methyl-phen-yl)-7-oxo-6-phenyl-deca-hydro-2<i>H</i>-3,8-methano-pyrano[3,2-<i>c</i>]pyridine-3,4a-dicarbo-nitrile <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","254","258","10.1107/S2056989023001718","","","1.54184","CuKα","","0.0666","0.0587","","","0.16","0.1656","","","","","","1.078","","","","has coordinates,has Fobs","283596","2023-05-06","10:49:06",""
"2022700","19.294","0.003","9.4173","0.0008","13.743","0.0012","90","","108.57","0.005","90","","2367.1","0.5","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-iminium chloride; 2-imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine monohydrate","","- C8 H17 Cl N6 O -","- C8 H17 Cl N6 O -","- C64 H136 Cl8 N48 O8 -","8","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0551","0.0435","","","0.1082","0.116","","","","","","1.028","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022701","5.9577","0.0004","6.7494","0.0005","6.8249","0.0005","101.641","0.004","104.225","0.006","111.425","0.004","234.36","0.03","100.02","","100.02","","","","","","","","","3","P -1","-P 1","2","","2-Imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine","","- C4 H7 N3 -","- C4 H7 N3 -","- C8 H14 N6 -","2","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0364","0.0342","","","0.0889","0.0916","","","","","","1.094","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022702","7.3685","0.0005","8.0074","0.0007","8.4211","0.0009","90","","115.741","0.005","90","","447.56","0.07","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-one","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C16 H24 N8 O4 -","4","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0386","0.0331","","","0.0858","0.0888","","","","","","1.029","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022703","6.3296","0.0019","7.0222","0.0019","7.351","0.002","84.975","0.013","71.693","0.013","63.889","0.012","278.05","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","6-Amino-4,5-dihydropyridin-2(3<i>H</i>)-one","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C10 H16 N4 O2 -","2","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","0.71073","MoKα","","0.055","0.0426","","","0.1125","0.1195","","","","","","1.059","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022704","9.4887","0.0009","14.5341","0.0011","12.2828","0.001","90","","111.32","0.008","90","","1578","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Imino-3,4,5,6-tetrahydropyridin-2-amine methanol monosolvate","","- C6 H13 N3 O -","- C6 H13 N3 O -","- C48 H104 N24 O8 -","8","2","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","","1.54178","CuKα","","0.0432","0.04","","","0.105","0.1076","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","283572","2023-05-06","10:43:23",""
"2022705","9.7839","0.0011","10.2313","0.0011","18.272","0.002","90","","97.125","0.001","90","","1814.9","0.3","125.01","","125.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","5-[(<i>E</i>)-2-Chloroethenyl]-1,3,4-oxathiazol-2-one","","- C4 H2 Cl N O2 S -","- C4 H2 Cl N O2 S -","- C48 H24 Cl12 N12 O24 S12 -","12","6","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0494","0.0362","","","0.0767","0.0846","","","","","","1.049","","","","has coordinates,has Fobs","283574","2023-05-06","10:43:49",""
"2022706","6.5967","0.0002","24.1942","0.0009","9.1724","0.0003","90","","91.904","0.001","90","","1463.12","0.08","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>rac</i>-2,3-Dibromo-3-chloropropanamide","","- C3 H4 Br2 Cl N O -","- C3 H4 Br2 Cl N O -","- C24 H32 Br16 Cl8 N8 O8 -","8","4","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0551","0.0481","","","0.1331","0.1391","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022707","7.1195","0.0002","16.4402","0.0005","9.7821","0.0003","90","","90","","90","","1144.96","0.06","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>rac</i>-5-(1,2-Dibromo-2-phenylethyl)-1,3,4-oxathiazol-2-one","","- C10 H7 Br2 N O2 S -","- C10 H7 Br2 N O2 S -","- C40 H28 Br8 N4 O8 S4 -","4","1","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0172","0.0157","","","0.0356","0.036","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022709","7.0808","0.0003","8.3978","0.0004","13.4212","0.0005","88.234","0.002","80.559","0.001","81.623","0.002","778.84","0.06","125","2","125","2","","","","","","","","3","P -1","-P 1","2","CF3 AD Rubrene","5,11-Diphenyl-6,12-bis[4-(trifluoromethyl)phenyl]tetracene","","- C44 H26 F6 -","- C44 H26 F6 -","- C44 H26 F6 -","1","0.5","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","0.71073","MoKα","","0.0602","0.0456","","","0.1203","0.1331","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283577","2023-05-06","10:44:39",""
"2022710","17.4565","0.0015","7.2014","0.0006","13.9356","0.0012","90","","92.593","0.002","90","","1750.1","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","tert-Butyl AD Rubrene","5,11-Bis(4-<i>tert</i>-butylphenyl)-6,12-diphenyltetracene","","- C50 H44 -","- C50 H44 -","- C100 H88 -","2","0.5","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","1.54178","CuKα","","0.0417","0.0409","","","0.104","0.1046","","","","","","1.076","","","","has coordinates,has Fobs","283577","2023-05-06","10:44:39",""
"2022711","15.9782","0.0006","7.2762","0.0002","13.9814","0.0006","90","","102.701","0.002","90","","1585.71","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 F6 -","- C44 H26 F6 -","- C88 H52 F12 -","2","0.5","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","0.71075","MoKα","","0.0763","0.0659","","","0.1299","0.1354","","","","","","1.108","","","","has coordinates","283577","2023-05-06","10:44:39",""
"2022712","23.527","0.003","9.0277","0.001","17.764","0.002","90","","95.928","0.004","90","","3752.8","0.8","292","1","292","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","5,11-Bis(4-<i>tert</i>-butylphenyl)-6,12-diphenylnaphthacene","","- C50 H44 -","- C50 H44 -","- C200 H176 -","4","1","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","0.71073","MoKα","","0.1913","0.0977","","","0.1393","0.169","","","","","","1.107","","","","has coordinates","283577","2023-05-06","10:44:39",""
"2022713","16.2967","0.0009","6.0887","0.0002","28.4139","0.0015","90","","90","","90","","2819.4","0.2","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium 2,2,2-trifluoroacetate","","- C13 H17 F3 N2 O3 -","- C13 H17 F3 N2 O3 -","- C104 H136 F24 N16 O24 -","8","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0403","0.0336","","","0.0825","0.0871","","","","","","1.049","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022714","16.9733","0.0007","8.3512","0.0004","13.298","0.0004","90","","101.494","0.001","90","","1847.16","0.13","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2,3,4,5,6-pentafluorobenzoate monohydrate","","- C18 H19 F5 N2 O4 -","- C18 H19 F5 N2 O4 -","- C72 H76 F20 N8 O16 -","4","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0353","0.0308","","","0.0792","0.0825","","","","","","1.029","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022715","20.4117","0.0018","7.4255","0.0006","36.796","0.003","90","","92.97","0.003","90","","5569.6","0.8","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium 4-iodobenzoate monohydrate","","- C18 H23 I N2 O4 -","- C18 H23 I N2 O4 -","- C216 H276 I12 N24 O48 -","12","3","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0507","0.0328","","","0.0637","0.0687","","","","","","1.029","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022716","6.1481","0.0013","7.3467","0.0012","19.98","0.004","80.19","0.006","86.089","0.005","82.843","0.006","881.3","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0595","0.0381","","","0.0718","0.0799","","","","","","1.065","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022717","7.0018","0.0003","7.3938","0.0003","31.531","0.001","90","","90.132","0.004","90","","1632.35","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(4-Nitrophenyl)piperazin-1-ium salicylate","4-(4-Nitrophenyl)piperazin-1-ium 2-hydroxybenzoate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","VM2276","Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.","Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","373","379","10.1107/S2056989023002517","","","0.71073","MoKα","","0.0716","0.0492","","","0.1084","0.1191","","","","","","1.044","","","","has coordinates,has Fobs","283579","2023-05-06","10:45:21",""
"2022718","16.882","0.002","9.719","0.001","23.445","0.004","90","","104.17","0.01","90","","3729.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-(4-nitrophenyl)piperazin-1-ium] bis(4-fluorobenzoate) trihydrate","","- C34 H42 F2 N6 O11 -","- C34 H42 F2 N6 O11 -","- C136 H168 F8 N24 O44 -","4","1","","Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.","Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","373","379","10.1107/S2056989023002517","","","0.71073","MoKα","","0.2405","0.0891","","","0.1181","0.1536","","","","","","1.057","","","","has coordinates,has Fobs","283579","2023-05-06","10:45:22",""
"2022719","27.953","0.006","8.1422","0.0006","24.657","0.005","90","","136.55","0.04","90","","3859","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-Nitrophenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C17 H17 N5 O8 -","- C17 H17 N5 O8 -","- C136 H136 N40 O64 -","8","1","","Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.","Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","373","379","10.1107/S2056989023002517","","","0.71073","MoKα","","0.071","0.044","","","0.1063","0.1189","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","283579","2023-05-06","10:45:22",""
"2022720","3.7794","0.0009","9.132","0.002","11.115","0.003","106.477","0.002","96.768","0.002","92.72","0.002","363.98","0.15","110","1","109.99","0.01","","","","","","","","3","P -1","-P 1","2","","2,2':4,4'':4',4'''-Quaterpyridine","","- C20 H14 N4 -","- C20 H14 N4 -","- C20 H14 N4 -","1","0.5","ZN2024","Aderinto, Stephen O.; Thomas, Jim A.; Robertson, Craig C.","2,2':4,4'':4',4'''-Quaterpyridine: synthesis, crystal-structure description, and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","356","360","10.1107/S2056989023002426","","","0.71073","MoKα","","0.0705","0.0473","","","0.1112","0.1254","","","","","","1.07","","","","has coordinates,has Fobs","283581","2023-05-06","10:45:41",""
"2022721","11.7125","0.0004","18.404","0.0006","12.8601","0.0005","90","","108.613","0.003","90","","2627.09","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(Phenylmethylene)bis(1-ethyl-3,4-dihydro-1<i>H</i>-2,1-benzothiazine-2,2,4-trione)","","- C27 H26 N2 O6 S2 -","- C27 H26 N2 O6 S2 -","- C108 H104 N8 O24 S8 -","4","1","EX2067","Shyshkina, Mariia O.; Lega, Dmitry A.; Shemchuk, Liudmyla M.; Starchikova, Irina L.; Shemchuk, Leonid A.","3,3'-(Phenyl-methyl-ene)bis-(1-ethyl-3,4-di-hydro-1<i>H</i>-2,1-benzo-thia-zine-2,2,4-trione): single-crystal X-ray diffraction study, quantum-chemical calculations and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","349","355","10.1107/S2056989023002505","","","0.71073","MoKα","","0.0754","0.0583","","","0.1453","0.1632","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","283582","2023-05-06","10:45:49",""
"2022722","10.3839","0.0005","11.3296","0.0006","12.3477","0.0007","103.393","0.005","96.38","0.004","97.934","0.004","1384.1","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-{<i>N</i>-[Amino(dimethylamino)methyl]carbamimidoyl}-3-bromobenzenesulfonamide","","- C10 H14 Br N5 O2 S -","- C10 H14 Br N5 O2 S -","- C40 H56 Br4 N20 O8 S4 -","4","2","PK2683","Su, Kexin; Luo, Jiangshui; Van Meervelt, Luc","Crystal structure and Hirshfeld surface analysis of <i>N</i>-{<i>N</i>-[amino-(di-methyl-amino)-meth-yl]carbamimido-yl}-3-bromo-benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","367","372","10.1107/S2056989023002165","","x-ray","0.71073","MoKα","","0.1023","0.0531","","","0.0981","0.1167","","","","","","1.018","","","","has coordinates,has Fobs","283583","2023-05-06","10:45:58",""
"2022723","14.394","0.0002","14.394","0.0002","40.6538","0.0008","90","","90","","90","","8422.9","0.2","93.15","","93.15","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","Bis[octakis(dimethyl sulfoxide-κ<i>O</i>)ytterbium(III)] pentabromidoplumbate(II) tribromide dimethyl sulfoxide monosolvate","","- C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -","- C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -","- C136 H408 Br32 O68 Pb4 S68 Yb8 -","8","0.5","TX2065","Kinoshita, Takumi; Fukumoto, Kanna; Segawa, Hiroshi","Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κ<i>O</i>)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","402","405","10.1107/S2056989023002852","","","1.54184","CuKα","","0.0883","0.0803","","","0.2103","0.2253","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","283584","2023-05-06","10:46:08",""
"2022724","12.2833","0.0002","13.1643","0.0002","14.2478","0.0002","90","","90","","90","","2303.88","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-(Ethene-1,2-diyl)bis(diphenylphoshpine sulfide/selenide)","","- C26 H22 P2 S1.13 Se0.87 -","- C26 H22 P2 S1.127 Se0.873 -","- C104 H88 P8 S4.508 Se3.492 -","4","1","DJ2064","Parkin, Sean; Cunningham, Jeremy; Rawls, Brian; Bender, John E.; Staples, Richard J.; Biros, Shannon M.","A mixed phosphine sulfide/selenide structure as an instructional example for how to evaluate the quality of a model.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","246","253","10.1107/S2056989023002700","","","1.54178","CuKα","","0.0211","0.0209","","","0.0533","0.0534","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","283585","2023-05-06","10:46:16",""
"2022725","16.7576","0.0006","16.3223","0.0007","19.2416","0.0008","90","","90","","90","","5263","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(12<i>E</i>)-12-(4-Benzylidene)-7,7,16-trimethyl-3-(4-methylphenyl)-1-oxa-16-azatetracyclo[11.2.1.0^2,11^.0^4,9^]hexadeca-2(11),4(9)-dien-5-one","","- C32 H35 N O2 -","- C32 H35 N O2 -","- C256 H280 N8 O16 -","8","1","ZN2026","Meenatchi, C. Selva; Vishnupriya, R.; Suresh, J.; Rubina, S. Raja; Selvanayagam, S.; Bhandari, S. R.","Crystal structures of (12<i>E</i>)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one and (12<i>E</i>)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","392","396","10.1107/S205698902300275X","","","0.71073","MoKα","","0.1017","0.0593","","","0.159","0.2134","","","","","","1.04","","","","has coordinates,has Fobs","283586","2023-05-06","10:46:36",""
"2022726","16.051","0.003","9.7793","0.0017","17.005","0.003","90","","96.312","0.005","90","","2653.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(12<i>E</i>)-12-(4-Bromobenzylidene)-73-(4-bromophenyl)-,7,16-trimethyl-10-oxa-16-azatetracyclo[11.2.1.0^2,11^.0^4,9^]hexadeca-2(11),4(9)-dien-5-one","","- C30 H29 Br2 N O2 -","- C30 H29 Br2 N O2 -","- C120 H116 Br8 N4 O8 -","4","1","ZN2026","Meenatchi, C. Selva; Vishnupriya, R.; Suresh, J.; Rubina, S. Raja; Selvanayagam, S.; Bhandari, S. R.","Crystal structures of (12<i>E</i>)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one and (12<i>E</i>)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","392","396","10.1107/S205698902300275X","","","0.71073","MoKα","","0.0747","0.0496","","","0.1221","0.1407","","","","","","1.093","","","","has coordinates,has Fobs","283586","2023-05-06","10:46:37",""
"2022727","5.2966","0.0003","15.8698","0.001","29.5216","0.0016","90","","90","","90","","2481.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)–(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C24 H32 Cu2 N4 O9 -","- C24 H32 Cu2 N2 O9 -","- C96 H128 Cu8 N8 O36 -","4","1","EX2068","Akiyama, Yukihito; Suzuki, Soma; Suda, Shintaro; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of mono/bis-(aqua-κ<i>O</i>)[<i>N</i>-(2-oxido-benzyl-idene)valinato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>']copper(II): dimeric Schiff base copper(II) complexes having different numbers of coordinated water mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","361","366","10.1107/S2056989023002487","","","0.71073","MoKα","","0.0254","0.0235","","","0.0519","0.0525","","","","","","1.038","","","","has coordinates,has Fobs","283589","2023-05-06","10:47:25",""
"2022728","9.4042","0.0006","10.7074","0.0006","10.7401","0.0006","99.211","0.005","110.852","0.006","91.515","0.005","993.52","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methylimidazo[1,5-<i>a</i>]pyridin-2-ium) tetrachloridomanganate(II)","","- C16 H18 Cl4 Mn N4 -","- C16 H18 Cl4 Mn N4 -","- C32 H36 Cl8 Mn2 N8 -","2","1","JQ2027","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.","Synthesis, crystal structure and Hirshfeld surface analysis of the hybrid salt bis-(2-methyl-imidazo[1,5-<i>a</i>]pyridin-2-ium) tetra-chlorido-manganate(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","397","401","10.1107/S2056989023002761","","x-ray","0.71073","MoKα","","0.0604","0.0469","","","0.1146","0.1263","","","","","","1.026","","","","has coordinates,has Fobs","283590","2023-05-06","10:47:43",""
"2022729","16.052","0.002","4.7635","0.0006","16.853","0.002","90","","101.702","0.008","90","","1261.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-Butyl <i>N</i>-(4-nitrophenyl)thiocarbamate","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0586","0.0387","","","0.0761","0.0844","","","","","","1.01","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022730","6.6973","0.0005","21.2076","0.0017","9.1899","0.0007","90","","102.868","0.005","90","","1272.49","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-Butyl <i>N</i>-(4-methoxyphenyl)thiocarbamate","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0787","0.0511","","","0.0998","0.1127","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","283598","2023-05-06","10:49:32",""
"2022731","6.9723","0.0013","20.166","0.003","8.2818","0.0014","90","","99.403","0.013","90","","1148.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-Butyl <i>N</i>-(4-fluorophenyl)thiocarbamate","","- C11 H14 F N O S -","- C11 H14 F N O S -","- C44 H56 F4 N4 O4 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.1842","0.0677","","","0.1089","0.1432","","","","","","0.946","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022732","15.4173","0.0015","5.017","0.0005","16.2502","0.0015","90","","105.592","0.005","90","","1210.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-Butyl <i>N</i>-(4-chlorophenyl)thiocarbamate","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C44 H56 Cl4 N4 O4 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0332","0.0272","","","0.0631","0.0663","","","","","","1.039","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022733","10.0531","0.0002","17.3479","0.0004","34.3141","0.0005","90","","90","","90","","5984.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(isoselenocyanato-κ<i>N</i>)tetrakis(4-methoxypyridine-κ<i>N</i>)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","1","PK2678","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of bis(isoselenocyanato-κN)tetrakis(4-methoxypyridine-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","3","216","220","10.1107/S2056989023001391","","","0.71073","MoKα","","0.0452","0.0376","","","0.0834","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","282431","2023-04-05","16:09:24",""
"2022734","6.6073","0.0005","8.2708","0.0005","16.984","0.001","102.385","0.006","91.745","0.006","99.903","0.006","890.84","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-chlorobenzoate","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C34 H36 Cl2 N6 O8 -","2","1","HB8051","Prasad, Holehundi J Shankara; Devaraju, ?; Yathirajan, Hemmige S.; Akkurt, Mehmet; Foro, Sabine; Balerao, Rishik; Butcher, Ray J.","Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","423","427","10.1107/S205698902300302X","","","0.71073","MoKα","","0.1362","0.0653","","","0.131","0.1623","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","284385","2023-06-06","05:34:46",""
"2022735","7.257","0.0005","9.7772","0.0006","14.202","0.001","102.101","0.006","99.534","0.006","110.981","0.006","887.41","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-bromobenzoate hemihydrate","","- C17 H19 Br N3 O4.5 -","- C17 H19 Br N3 O4.5 -","- C34 H38 Br2 N6 O9 -","2","1","","Prasad, Holehundi J Shankara; Devaraju, ?; Yathirajan, Hemmige S.; Akkurt, Mehmet; Foro, Sabine; Balerao, Rishik; Butcher, Ray J.","Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","423","427","10.1107/S205698902300302X","","","0.71073","MoKα","","0.0692","0.036","","","0.0765","0.0843","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","284385","2023-06-06","05:34:46",""
"2022736","7.3949","0.0006","9.344","0.0008","14.498","0.001","104.967","0.008","94.707","0.007","107.43","0.008","909.44","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-iodobenzoate hemihydrate","","- C34 H38 I2 N6 O9 -","- C34 H38 I2 N6 O9 -","- C34 H38 I2 N6 O9 -","1","0.5","","Prasad, Holehundi J Shankara; Devaraju, ?; Yathirajan, Hemmige S.; Akkurt, Mehmet; Foro, Sabine; Balerao, Rishik; Butcher, Ray J.","Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","423","427","10.1107/S205698902300302X","","","0.71073","MoKα","","0.0856","0.0464","","","0.0994","0.1169","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","284385","2023-06-06","05:34:46",""
"2022737","5.6045","0.0002","7.4315","0.0003","9.5396","0.0004","71.689","0.002","87.731","0.002","84.968","0.002","375.72","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Fluoro-1<i>H</i>-pyrazole","","- C3 H3 F N2 -","- C3 H3 F N2 -","- C12 H12 F4 N8 -","4","2","VM2280","Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Crystal and mol-ecular structure of 4-fluoro-1<i>H</i>-pyrazole at 150 K.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","428","431","10.1107/S2056989023003055","","","0.71073","MoKα","","0.0383","0.0356","","","0.1058","0.108","","","","","","1.061","","","","has coordinates,has Fobs","284386","2023-06-06","05:35:00",""
"2022738","16.5847","0.3","12.3","0.1","16.5847","0.3","90","","58.0757","0.9","90","","2871","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pigment Orange 13, alpha phase","(4Z,4'Z)-4,4'-((3,3'-dichloro-[1,1'-biphenyl]-4,4'-diyl)bis(hydrazin-2-yl-1-ylidene))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)","","- C32 H24 Cl2 N8 O2 -","- C32 H24 Cl2 N8 O2 -","- C128 H96 Cl8 N32 O8 -","4","1","","Gorelik, Tatiana E.; Bekő, Sàndor L; Teteruk, Jaroslav; Heyse, Winfried; Schmidt, Martin U.","Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C<sub>32</sub>H<sub>24</sub>Cl<sub>2</sub>N<sub>8</sub>O<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 2","122","137","10.1107/S2052520623000720","","electron","0.0197","","","","","","","","","","","","","","","","","","has coordinates","283571","2023-05-06","10:43:01",""
"2022739","9.4445","0.0005","8.9404","0.0004","20.2237","0.0009","90","","93.257","0.004","90","","1704.88","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-3-ethyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-1-ido]bis[acetato(dimethylacetamide)copper(II)]","","- C28 H38 Cu2 N10 O6 -","- C28 H38 Cu2 N10 O6 -","- C56 H76 Cu4 N20 O12 -","2","0.5","JY2029","Petrenko, Yuliia P.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.","Synthesis and crystal structure of a new copper(II) complex based on 5-ethyl-3-(pyridin-2-yl)-1,2,4-triazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","432","435","10.1107/S2056989023003079","","x-ray","0.71073","MoKα","","0.0564","0.039","","","0.0775","0.0848","","","","","","1.047","","","","has coordinates,has Fobs","284377","2023-06-06","05:32:38",""
"2022740","8.0978","0.0008","9.2021","0.0009","9.3316","0.001","84.027","0.006","88.091","0.006","84.17","0.006","687.83","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(allyloxy)-<i>N</i>'-(but-2-en-1-ylidene)benzohydrazidato]nickel(II)","","- C28 H30 N4 Ni O4 -","- C28 H30 N4 Ni O4 -","- C28 H30 N4 Ni O4 -","1","0.5","PK2680","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Sheikh, Md Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis-[4-(all-yloxy)-<i>N</i>'-(but-2-en-1-yl-idene)benzohydrazidato]nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","465","468","10.1107/S2056989023002918","","","0.71075","MoKα","","0.0471","0.0395","","","0.0943","0.0979","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","284378","2023-06-06","05:32:45",""
"2022741","7.34138","0.0001","10.672","0.0002","12.9247","0.0002","104.503","0.0016","90.2462","0.0012","103.996","0.0014","948.97","0.03","100","2","100","0.17","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[3-(Benzo[<i>d</i>]thiazol-2-yl)-6-bromo-2<i>H</i>-chromen-2-ylidene]-4-methylbenzenamine","","- C23 H15 Br N2 O S -","- C23 H15 Br N2 O S -","- C46 H30 Br2 N4 O2 S2 -","2","1","YZ2032","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of <i>N</i>-[3-(benzo[<i>d</i>]thia-zol-2-yl)-6-bromo-2<i>H</i>-chromen-2-yl-idene]-4-methyl-benzenamine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","441","445","10.1107/S2056989023002979","","x-ray","0.71073","MoKα","","0.049","0.0444","","","0.0846","0.0859","","","","","","1.27","","","","has coordinates,has Fobs","284379","2023-06-06","05:32:56",""
"2022742","14.2044","0.0007","14.2458","0.0007","15.4851","0.0008","90","","102.605","0.002","90","","3057.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrakis(4,5-dihydrofuran-2-yl)silane","","- C16 H20 O4 Si -","- C16 H20 O4 Si -","- C128 H160 O32 Si8 -","8","2","HB8058","Ressel, Arnold; Krupp, Anna; Strohmann, Carsten","Crystal structures and Hirshfeld surface analyses of tetra-kis-(4,5-di-hydro-furan-2-yl)silane and tetra-kis-(4,5-di-hydro-furan-2-yl)germane.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","458","464","10.1107/S2056989023003158","","x-ray","0.71073","MoKα","","0.0385","0.0367","","","0.1011","0.103","","","","","","1.026","","","","has coordinates,has Fobs","284380","2023-06-06","05:33:13",""
"2022743","6.2398","0.0002","14.7216","0.0004","13.5383","0.0004","90","","94.229","0.001","90","","1240.24","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","Amitriptynolium 4-methoxybenzoate monohydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 4-methoxybenzoate monohydrate","","- C28 H35 N O5 -","- C28 H35 N O5 -","- C56 H70 N2 O10 -","2","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","1.54178","CuKα","","0.0249","0.0241","","","0.0632","0.0637","","","","","","1.023","","","","has coordinates,has Fobs","284381","2023-06-06","05:33:36",""
"2022744","8.675","0.0003","55.2061","0.0019","12.3988","0.0004","90","","108.238","0.002","90","","5639.7","0.3","90","0.2","90","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","Amitriptynolium 3,4-dimethoxybenzoate trihydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 3,4-dimethoxybenzoate trihydrate","","- C29 H41 N O8 -","- C29 H41 N O8 -","- C232 H328 N8 O64 -","8","2","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","1.54178","CuKα","","0.0362","0.031","","","0.0715","0.0744","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:39",""
"2022745","6.7576","0.0002","22.9081","0.0006","14.9477","0.0003","90","","95.359","0.001","90","","2303.85","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amitriptynolium 2-chlorobenzoate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 2-chlorobenzoate","","- C27 H30 Cl N O3 -","- C27 H30 Cl N O3 -","- C108 H120 Cl4 N4 O12 -","4","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","0.71073","MoKα","","0.0607","0.0447","","","0.0991","0.1102","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:40",""
"2022746","6.1659","0.0005","13.1299","0.0012","27.698","0.002","90","","90","","90","","2242.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Amitriptynolium thiophene-2-carboxylate monohydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium thiophene-2-carboxylate monohydrate","","- C25 H31 N O4 S -","- C25 H31 N O4 S -","- C100 H124 N4 O16 S4 -","4","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","0.71073","MoKα","","0.0331","0.0284","","","0.0594","0.0616","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:50",""
"2022747","12.40591","0.00009","10.98934","0.0001","20.58063","0.00017","90","","98.4293","0.0007","90","","2775.5","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-[(3,5-Di-<i>tert</i>-butyl-4-hydroxyphenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C31 H44 O5 -","- C31 H44 O5 -","- C124 H176 O20 -","4","1","ZN2027","Khalilov, Ali N.; Khrustalev, Victor N.; Aleksandrova, Larissa V.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2,2'-[(3,5-di-<i>tert</i>-butyl-4-hy-droxy-phen-yl)methanedi-yl]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","436","440","10.1107/S2056989023003171","","","1.54184","CuKα","","0.0402","0.0386","","","0.1029","0.1043","","","","","","1.031","","","","has coordinates,has Fobs","284387","2023-06-06","05:35:15",""
"2022748","12.0884","0.0011","17.0492","0.0016","13.5966","0.0011","90","","100.008","0.003","90","","2759.6","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triethyl 5'-amino-2',4'-dicyano-4,4''-difluoro-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-2',4',6'-tricarboxylate","1,3,5-Triethyl 2-amino-3,5-dicyano-4,6-bis(4-fluorophenyl)cyclohex-1-ene-1,3,5-tricarboxylate","","- C29 H27 F2 N3 O6 -","- C29 H27 F2 N3 O6 -","- C116 H108 F8 N12 O24 -","4","1","EX2065","Chandana, S. N.; Ganesha, D. P.; Sreenatha, N. R.; Harisha, A. S.; Lakshminarayana, B. N.","Structural, Hirshfeld surface and three-dimensional inter-action-energy studies of 1,3,5-triethyl 2-amino-3,5-di-cyano-4,6-bis-(4-fluoro-phen-yl)cyclo-hex-1-ene-1,3,5-tri-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","446","450","10.1107/S2056989023003134","","","0.71073","MoKα","","0.1239","0.0874","","","0.1934","0.2142","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","284389","2023-06-06","05:36:02",""
"2022749","8.94782","0.0001","9.03908","0.00009","14.87299","0.00018","90.9441","0.0009","104.12","0.001","111.745","0.001","1075.92","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,6-Diamino-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3,5-dicarbonitrile","","- C11 H7 N5 O S -","- C11 H7 N5 O S -","- C44 H28 N20 O4 S4 -","4","2","TX2066","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Kerimli, Fuad Sh.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 1,6-diamino-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E Crystallographic Communications","2023","79","5","494","498","10.1107/S2056989023003237","","","1.54184","CuKα","","0.0408","0.0404","","","0.1042","0.1045","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","284372","2023-06-06","05:31:33",""
"2022750","14.587","0.003","17.25","0.003","6.804","0.0014","90","","90","","90","","1712.1","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>S</i>)-<i>N</i>-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propylaminium chloride","","- C18 H20 Cl N O S -","- C18 H20 Cl N O S -","- C72 H80 Cl4 N4 O4 S4 -","4","1","HB8060","Bhadbhade, Mohan M.; Gao, Jiabin; Rich, Anne M.; Marjo, Christopher E.","Structure of racemic duloxetine hydro-chloride.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","488","493","10.1107/S2056989023003353","","","0.71073","Synchrotron","","0.0255","0.0252","","","0.0658","0.066","","","","","","1.096","","","","has coordinates,has Fobs","284376","2023-06-06","05:32:29",""
"2022751","12.5335","0.0009","13.4331","0.0008","15.13","0.0012","90","","108.608","0.008","90","","2414.2","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(isoselenocyanato-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)manganese(II)","","- C22 H20 Mn N6 Se2 -","- C22 H20 Mn N6 Se2 -","- C88 H80 Mn4 N24 Se8 -","4","0.5","HB8063","Näther, Christian; Mangelsen, Sebastian; Boeckmann, Jan","Synthesis, crystal structure and thermal decomposition pathway of bis-(iso-seleno-cyanato-κ<i>N</i>)tetra-kis-(pyridine-κ<i>N</i>)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","482","487","10.1107/S2056989023003535","","","0.71073","MoKα","","0.0568","0.0425","","","0.0831","0.0881","","","","","","1.028","","","","has coordinates,has Fobs","284382","2023-06-06","05:34:01",""
"2022752","7.11296","0.00005","15.4597","0.001","16.0358","0.001","90","","90","","90","","1763.36","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5a<i>S</i>,8a<i>R</i>)-3,5a-Dimethyl-8-methylidene-2-oxododecahydrooxireno[2',3':6,7]naphtho[1,2-<i>b</i>]furan-6-yl (<i>Z</i>)-2-methylbut-2-enoate","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","WM5679","Karimli, Elvin G.; Khrustalev, Victor N.; Kurasova, Margarita N.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of (5a<i>S</i>,8a<i>R</i>)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2-<i>b</i>]furan-6-yl (<i>Z</i>)-2-methyl-but-2-enoate extracted from <i>Ferula persica</i>.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","474","477","10.1107/S205698902300333X","","","1.54184","CuKα","","0.0315","0.0313","","","0.0819","0.0821","","","","","","1.045","","","","has coordinates,has Fobs","284383","2023-06-06","05:34:11",""
"2022753","9.1689","0.0005","22.8882","0.001","11.0743","0.0005","90","","103.043","0.005","90","","2264.09","0.19","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)bis[(4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)ethanolzinc(II)]","","- C36 H64 O14 Zn2 -","- C36 H64 O14 Zn2 -","- C72 H128 O28 Zn4 -","2","0.5","YZ2031","Shtokvysh, Olherd O.; Dyakonenko, Viktoriya V.; Koval, Lyudmila I.; Pekhnyo, Vasyl I.","Crystal structure and Hirshfeld surface analysis of bis-(μ-4-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)bis-[(4-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)ethano-lzinc(II)].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","478","481","10.1107/S2056989023003377","","","0.71073","MoKα","","0.0902","0.0605","","","0.1361","0.1535","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","284388","2023-06-06","05:35:37",""
"2022754","7.1592","0.0002","9.0048","0.0002","10.8678","0.0003","82.779","0.002","76.016","0.002","75.078","0.002","655.42","0.03","100","2","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","3-(Benzo[<i>d</i>]thiazol-2-yl)-6-methyl-2<i>H</i>-chromen-2-one","","- C17 H11 N O2 S -","- C17 H11 N O2 S -","- C34 H22 N2 O4 S2 -","2","1","YZ2033","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 3-(benzo[<i>d</i>]thia-zol-2-yl)-6-methyl-2<i>H</i>-chromen-2-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","504","507","10.1107/S205698902300347X","","x-ray","1.54184","CuKα","","0.0357","0.0353","","","0.1017","0.1023","","","","","","1.065","","","","has coordinates,has Fobs","284371","2023-06-06","05:31:17",""
"2022755","8.10683","0.00006","19.2001","0.00015","14.49754","0.0001","90","","90.8104","0.0007","90","","2256.34","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[2-(5-Methylfuran-2-yl)phenyl]-3-nitro-<i>N</i>-[(3-nitrophenyl)sulfonyl]benzenesulfonamide","","- C23 H17 N3 O9 S2 -","- C23 H17 N3 O9 S2 -","- C92 H68 N12 O36 S8 -","4","1","TX2067","Mammadova, Gunay Z.; Annadurdyyeva, Selbi; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of <i>N</i>-[2-(5-methyl-furan-2-yl)phen-yl]-3-nitro-<i>N</i>-[(3-nitro-phen-yl)sulfon-yl]benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","499","503","10.1107/S2056989023003523","","","1.54184","CuKα","","0.0376","0.0363","","","0.0991","0.1004","","","","","","1.069","","","","has coordinates,has Fobs","284374","2023-06-06","05:31:56",""
"2022756","13.3305","0.0005","6.8212","0.0003","20.9547","0.0008","90","","106.681","0.001","90","","1825.23","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua{2-[(<i>E</i>)-(1-cyano-2-imino-2-methoxyethylidene)hydrazinyl]benzenesulfonato}sodium]-di-μ-aqua] dihydrate]","","- C10 H19 N4 Na O9 S -","- C10 H19 N4 Na O9 S -","- C40 H76 N16 Na4 O36 S4 -","4","1","WM5680","Aliyeva, Vusala A.; Aliyeva, Fargana S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Synthesis and crystal structure of <i>catena</i>-poly[[[aqua-{2-[(<i>E</i>)-(1-cyano-2-imino-2-meth-oxy-ethyl-idene)hydrazin-yl]benzene-sulfonato}-sodium]-di-μ-aqua] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","508","511","10.1107/S2056989023003602","","","0.71073","MoKα","","0.0321","0.028","","","0.0771","0.0808","","","","","","1.066","","","","has coordinates,has Fobs","284373","2023-06-06","05:31:44",""
"2022757","9.5796","0.0003","9.5104","0.0003","9.796","0.0003","90","","107.645","0.001","90","","850.48","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diiodidobis[(methylsulfanyl)benzene-κ<i>S</i>]platinum(II)","","- C14 H16 I2 Pt S2 -","- C14 H16 I2 Pt S2 -","- C28 H32 I4 Pt2 S4 -","2","0.5","JY2030","Schmidt, Annika; Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten","Crystal structure and Hirshfeld analysis of <i>trans</i>-di-iodido-bis-[(methyl-sulfan-yl)benzene-κ<i>S</i>]platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","516","520","10.1107/S2056989023003717","","x-ray","0.71073","MoKα","","0.0214","0.0207","","","0.0521","0.0525","","","","","","1.17","","","","has coordinates,has Fobs","284375","2023-06-06","05:32:14",""
"2022758","12.953","0.0003","8.7657","0.0002","11.7723","0.0003","90","","100.457","0.001","90","","1314.45","0.05","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(4-Fluorophenyl)-<i>N</i>-isopropyl-2-(methylsulfonyl)acetamide","<i>N</i>-(4-Fluorophenyl)-2-(methylsulfonyl)-<i>N</i>-(propan-2-yl)acetamide","","- C12 H16 F N O3 S -","- C12 H16 F N O3 S -","- C48 H64 F4 N4 O12 S4 -","4","1","HB8062","Geetha, Doreswamy; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Srinivasa, Gejjalagere R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-fluoro-phen-yl)-<i>N</i>-isopropyl-2-(methyl-sulfon-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","512","515","10.1107/S2056989023003675","","","0.71073","MoKα","","0.0373","0.031","","","0.0746","0.0785","","","","","","1.054","","","","has coordinates,has Fobs","284384","2023-06-06","05:34:28",""
"2022759","18.0187","0.0009","6.4455","0.0003","18.7315","0.001","90","","111.181","0.003","90","","2028.5","0.18","193.15","","193.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Phenyl-1<i>H</i>-1,3-benzodiazol-2(3<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","VM2281","Hong, Dabeen; Lee, Kyounghoon","Polymorphic structures of 3-phenyl-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","534","537","10.1107/S2056989023003961","","","0.71073","MoKα","","0.0498","0.0407","","","0.099","0.1042","","","","","","1.066","","","","has coordinates,has Fobs","285049","2023-07-06","18:17:43",""
"2022760","13.7925","0.0003","7.2652","0.0001","19.7956","0.0004","90","","90","","90","","1983.62","0.06","193.15","","193.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","VM2281","Hong, Dabeen; Lee, Kyounghoon","Polymorphic structures of 3-phenyl-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","534","537","10.1107/S2056989023003961","","","0.71073","MoKα","","0.0438","0.0391","","","0.0955","0.0989","","","","","","1.018","","","","has coordinates,has Fobs","285049","2023-07-06","18:17:44",""
"2022761","17.1588","0.0007","7.091","0.0003","32.1594","0.001","90","","102.338","0.003","90","","3822.6","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-{[4-(Diethylamino)benzylidene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C22 H26 N4 O -","- C22 H26 N4 O -","- C176 H208 N32 O8 -","8","1","","Shankar, M. G.; Kumaravel, R.; Subashini, A.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Stoeckli-Evans, Helen","Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: (<i>E</i>)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and (<i>E</i>)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","538","544","10.1107/S2056989023004085","","","1.5418","CuKα","","0.0424","0.0357","","","0.0885","0.0934","","","","","","1.056","","","","has coordinates,has Fobs","285052","2023-07-06","18:18:22",""
"2022762","6.7886","0.0013","16.6007","0.0003","26.9563","0.0008","90","","90","","90","","3037.9","0.6","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-[(4-Fluorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C18 H16 F N3 O -","- C18 H16 F N3 O -","- C144 H128 F8 N24 O8 -","8","1","","Shankar, M. G.; Kumaravel, R.; Subashini, A.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Stoeckli-Evans, Helen","Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: (<i>E</i>)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and (<i>E</i>)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","538","544","10.1107/S2056989023004085","","","0.71073","MoKα","","0.0613","0.0419","","","0.0915","0.1008","","","","","","1.048","","","","has coordinates,has Fobs","285052","2023-07-06","18:18:23",""
"2022763","10.3378","0.0004","19.4299","0.0007","10.5128","0.0004","90","","91.666","0.001","90","","2110.73","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(Phenylsulfonyl)-5,6-dihydrobenzo[4,5]thieno[3,2-<i>j</i>]phenanthridine","","- C26 H19 N O2 S2 -","- C26 H19 N O2 S2 -","- C104 H76 N4 O8 S8 -","4","1","ZN2028","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The synthesis, crystal structure and Hirshfeld surface analysis of the thio-phene derivatives 5-(phenyl-sulfon-yl)-5,6-di-hydro-benzo[4,5]thieno[3,2-<i>j</i>]phenanthridine and (<i>E</i>)-<i>N</i>-{2-[2-(benzo[<i>b</i>]thiophen-2-yl)ethenyl]phen-yl}-<i>N</i>-(prop-2-yn-1-yl)benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","521","525","10.1107/S2056989023003821","","","0.71073","MoKα","","0.0474","0.0385","","","0.0988","0.1074","","","","","","1.083","","","","has coordinates,has Fobs","285055","2023-07-06","18:19:25",""
"2022764","10.0085","0.0004","8.6474","0.0003","24.9024","0.001","90","","91.56","0.002","90","","2154.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]phenyl}-\ <i>N</i>-(prop-2-yn-1-yl)benzenesulfonamide","","- C25 H19 N O2 S2 -","- C25 H19 N O2 S2 -","- C100 H76 N4 O8 S8 -","4","1","ZN2028","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The synthesis, crystal structure and Hirshfeld surface analysis of the thio-phene derivatives 5-(phenyl-sulfon-yl)-5,6-di-hydro-benzo[4,5]thieno[3,2-<i>j</i>]phenanthridine and (<i>E</i>)-<i>N</i>-{2-[2-(benzo[<i>b</i>]thiophen-2-yl)ethenyl]phen-yl}-<i>N</i>-(prop-2-yn-1-yl)benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","521","525","10.1107/S2056989023003821","","","1.54178","CuKα","","0.0598","0.053","","","0.1645","0.1758","","","","","","1.081","","","","has coordinates,has Fobs","285055","2023-07-06","18:19:31",""
"2022765","7.89079","0.00013","16.499","0.0003","13.1394","0.0003","90","","90","","90","","1710.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-Amino-6-[(1-phenylethyl)amino]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile","","- C19 H15 N5 S -","- C19 H15 N5 S -","- C76 H60 N20 S4 -","4","1","VM2282","Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","526","530","10.1107/S2056989023003845","","","1.54184","CuKα","","0.0366","0.0358","","","0.0952","0.0958","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","285056","2023-07-06","18:19:46",""
"2022766","8.9485","0.0008","5.0612","0.0005","20.949","0.002","90","","96.585","0.007","90","","942.52","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Methylbenzyl)oxy]-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C44 H38 N6 O8 -","2","1","WM5682","Banna, Md Hasan Al; Sheikh, Md Chanmiya; Miyatake, Ryuta; Howlader, Md Belayet Hossain; Zangrando, Ennio","Crystal structure of 4-[(4-methyl-benz-yl)-oxy]-<i>N</i>'-(4-nitro-benzyl-idene)benzohydrazide: a new hydrazone derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","531","533","10.1107/S2056989023003948","","","0.71075","MoKα","","0.0867","0.0528","","","0.1136","0.1255","","","","","","1.035","","","","has coordinates,has Fobs","285061","2023-07-06","18:21:38",""
"2022767","9.949","0.0004","19.9223","0.0008","10.2378","0.0004","90","","97.616","0.004","90","","2011.3","0.14","120","","120","","","","","","","","local laboratory","4","I 1 a 1","I -2ya","9","","1-(4,5-Dimethoxy-2,3-dinitrophenyl)-2-methylpropyl <i>N</i>-butylcarbamate","","- C17 H25 N3 O8 -","- C17 H25 N3 O8 -","- C68 H100 N12 O32 -","4","1","EX2069","Honda, Takafumi; Ito, Michiko; Yamaguchi, Kazuo; Kasuga, Noriko Chikaraishi; Sato, Hiroyasu","Synthesis and structure of photodegradable 1-(4,5-dimeth-oxy-2,3-di-nitro-phen-yl)-2-methyl-propyl <i>N</i>-butyl-carbamate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","549","551","10.1107/S2056989023004103","","x-ray","0.71073","MoKα","","0.0608","0.0448","","","0.0869","0.0939","","","","","","1.035","","","","has coordinates,has Fobs","285050","2023-07-06","18:17:54",""
"2022768","6.8724","0.0014","33.502","0.007","7.3449","0.0015","90","","117.238","0.003","90","","1503.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Benzo[<i>d</i>][1,3]dioxole-5-carbaldehyde oxime","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C64 H56 N8 O24 -","8","2","HB8064","Radhakrishnan, Rengaraj; Mustaphi, Nour El Hoda; Sebbar, Nada Kheira; Mague, Joel T.; Thiruvalluvar, Aravazhi Amalan","Synthesis, crystal structure and Hirshfeld surface analysis of (<i>E</i>)-benzo[<i>d</i>][1,3]dioxole-5-carbaldehyde oxime.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","545","548","10.1107/S2056989023004139","","","0.71073","MoKα","","0.0659","0.0458","","","0.1178","0.1265","","","","","","1.047","","","","has coordinates,has Fobs","285051","2023-07-06","18:18:09",""
"2022769","10.8996","0.0007","13.97","0.0008","14.1351","0.0009","63.253","0.002","71.16","0.002","67.954","0.002","1750.38","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","5-(Trifluoromethyl)-1,3,4-thiadiazol-2(3<i>H</i>)-one","","- C3 H F3 N2 O S -","- C3 H F3 N2 O S -","- C36 H12 F36 N24 O12 S12 -","12","6","VM2283","Geetha, Doreswamy; Mohan Kumar, Thaluru M.; Anil Kumar, Haleyur G.; Shreenivas, Mellekatte T.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structure studies of 5-(tri-fluoro-meth-yl)-1,3,4-thia-diazol-2(3<i>H</i>)-one at 180 K.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","557","561","10.1107/S2056989023004267","","","0.71073","MoKα","","0.0472","0.0366","","","0.0826","0.0899","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","285059","2023-07-06","18:20:57",""
"2022770","16.816","0.003","4.7848","0.001","20.123","0.004","90","","105.96","0.03","90","","1556.7","0.6","297","2","297","2","","","","","","","","5","I 1 a 1","I -2ya","9","","2-(Benzylsulfanyl)-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazole","","- C17 H17 N3 O S -","- C17 H17 N3 O S -","- C68 H68 N12 O4 S4 -","4","1","","Okmanov, Rasul Ya; Ziyaev, Abdukhakim A.; Abdukarimov, Azimboy Sh; Toshmurodov, Turdibek T.; Kholikov, Tursunali S.","Syntheses, crystal structures and Hirshfeld surface analysis of 2-(benzyl-sulfan-yl)-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole and 2-[(2-chloro-6-fluoro-benz-yl)sulfan-yl]-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","552","556","10.1107/S2056989023004164","","","1.54184","CuKα","","0.0337","0.0322","","","0.0869","0.0885","","","","","","1.043","","","","has coordinates,has Fobs","285060","2023-07-06","18:21:21",""
"2022771","16.308","0.003","7.9787","0.0016","13.072","0.003","90","","103.33","0.03","90","","1655.1","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazole","","- C17 H15 Cl F N3 O S -","- C17 H15 Cl F N3 O S -","- C68 H60 Cl4 F4 N12 O4 S4 -","4","1","","Okmanov, Rasul Ya; Ziyaev, Abdukhakim A.; Abdukarimov, Azimboy Sh; Toshmurodov, Turdibek T.; Kholikov, Tursunali S.","Syntheses, crystal structures and Hirshfeld surface analysis of 2-(benzyl-sulfan-yl)-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole and 2-[(2-chloro-6-fluoro-benz-yl)sulfan-yl]-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","552","556","10.1107/S2056989023004164","","","1.54184","CuKα","","0.0435","0.0388","","","0.1024","0.1062","","","","","","1.048","","","","has coordinates,has Fobs","285060","2023-07-06","18:21:25",""
"2022772","16.82625","0.00015","16.73298","0.00017","26.7833","0.0003","90","","105.216","0.0011","90","","7276.56","0.13","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate–1,3-bis(1<i>H</i>-benzimidazol-2-yl)propane–ethyl acetate (2/1/2.94)","","- C65 H60 N12 O10 -","- C65 H60 N12 O10 -","- C260 H240 N48 O40 -","4","0.5","WM5683","Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain","2-[3-(1<i>H</i>-Benzimidazol-2-yl)prop-yl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1<i>H</i>-benzimidazol-2-yl)propane-ethyl acetate (2/1/2.94): co-crystallization between a salt, a neutral mol-ecule and a solvent.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","562","566","10.1107/S2056989023004279","","x-ray","0.71073","MoKα","","0.0661","0.0494","","","0.1373","0.1493","","","","","","1.062","","","","has coordinates,has Fobs","285053","2023-07-06","18:18:44",""
"2022773","12.0401","0.0006","15.4829","0.0007","11.2543","0.0006","90","","105.719","0.0017","90","","2019.52","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-phthalimidoethyl)ammonium chloride dihydrate","Bis[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium chloride dihydrate","","- C20 H22 Cl N3 O6 -","- C20 H22 Cl N3 O6 -","- C80 H88 Cl4 N12 O24 -","4","1","EX2070","Young, Barry S.; Lee, Jamie L.; Gembicky, Milan; Bailey, Jake; Smith, Gary L. N.","Synthesis and crystal structure of bis-(2-phthal-imido-eth-yl)ammonium chloride dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","575","577","10.1107/S2056989023004565","","x-ray","0.71073","MoKα","","0.0421","0.031","","","0.0717","0.0767","","","","","","1.033","","","","has coordinates,has Fobs","285054","2023-07-06","18:18:58",""
"2022774","9.87885","0.00012","10.46018","0.00013","11.48307","0.00012","100.93","0.001","105.305","0.0011","112.679","0.0012","997.81","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Oxo-7-phenyl-2-(phenylamino)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyridine-6,8-dicarbonitrile dimethyl sulfoxide monosolvate","","- C22 H18 N6 O2 S -","- C22 H18 N6 O2 S -","- C44 H36 N12 O4 S2 -","2","1","TX2068","Naghiyev, Farid N.; Khrustalev, Victor N.; Mamedov, Huseyn M.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","567","570","10.1107/S2056989023004383","","","1.54184","CuKα","","0.0393","0.0382","","","0.1052","0.1061","","","","","","1.075","","","","has coordinates,has Fobs","285057","2023-07-06","18:20:07",""
"2022775","6.8588","0.0001","10.7797","0.0002","15.7707","0.0002","90","","91.251","0.001","90","","1165.74","0.03","106.15","","106.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-[(2,3,5,6-Tetrafluoropyridin-4-yl)amino]ethyl methacrylate","2-[(2,3,5,6-Tetrafluoropyridin-4-yl)amino]ethyl 2-methylprop-2-enoate","","- C11 H10 F4 N2 O2 -","- C11 H10 F4 N2 O2 -","- C44 H40 F16 N8 O8 -","4","1","HB8066","Overstreet, Shayla M. J.; Genzia, Ian M.; Nguyen, Alexander; Auleciems, Zachary J.; Jennings, Abby R.; Peloquin, Andrew J.","Synthesis and crystal structure of 2-[(2,3,5,6-tetra-fluoro-pyridin-4-yl)amino]-ethyl methacrylate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","571","574","10.1107/S2056989023004334","","","0.71073","MoKα","","0.0417","0.0352","","","0.0867","0.0903","","","","","","1.057","","","","has coordinates,has Fobs","285058","2023-07-06","18:20:28",""
"2022776","9.1548","0.0005","9.7791","0.0005","15.6336","0.0009","90","","90","","90","","1399.61","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Methoxynaphthalen-1-yl)-1<i>H</i>-benzo[<i>d</i>]imidazole","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.041","0.0357","","","0.0871","0.0896","","","","","","1.071","","","","has coordinates,has Fobs","284684","2023-06-29","15:26:29",""
"2022777","10.7065","0.0003","10.9434","0.0003","12.8256","0.0004","69.029","0.001","82.871","0.001","67.515","0.001","1296.37","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxynaphthalen-1-yl)-1-[(4-methoxynaphthalen-1-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole ethanol monosolvate","","- C32 H30 N2 O3 -","- C32 H30 N2 O3 -","- C64 H60 N4 O6 -","2","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.0697","0.0539","","","0.1507","0.1616","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","284684","2023-06-29","15:26:32",""
"2022778","10.4134","0.0002","6.9167","0.0002","20.4801","0.0005","90","","90.308","0.002","90","","1475.09","0.06","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","1-[4-(1-Hydroxycyclohexan-1-yl)buta-1,3-diyne-1-yl]cyclohexan-1-ol","1,1'-(Buta-1,3-diyne-1,4-diyl)bis(cyclohexan-1-ol)","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","ZV2024","Tirkasheva, Sarvinoz I.; Ziyadullaev, Odiljon E.; Eshimbetov, Alisher G.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.","Synthesis, crystal structure, Hirshfeld surface analysis and DFT study of the 1,1′-(buta-1,3-diyne-1,4-diyl)bis(cyclohexan-1-ol)","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004772","","x-ray","1.54184","CuKα","","0.0594","0.0444","","","0.1181","0.1291","","","","","","1.066","","","","has coordinates,has Fobs","284686","2023-06-29","15:39:29",""
"2022779","11.5094","0.0009","13.9839","0.0008","9.4247","0.0005","90","","90","","90","","1516.87","0.17","213","2","213","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[bis(diaqualithium)]-μ~4~-3,3',5,5'-tetranitro-4,4'-bipyrazole-1,1'-diido]","","- C6 H8 Li2 N8 O12 -","- C6 H8 Li2 N8 O12 -","- C24 H32 Li8 N32 O48 -","4","0.5","PK2688","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","catena-Poly[[bis(diaqualithium)]-μ4-3,3′,5,5′-tetranitro-4,4′-bipyrazole-1,1′-diido]: a new moisture-insensitive alkali-metal energetic salt with a well-defined network structure","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005339","","","0.71073","MoKα","","0.0468","0.0299","","","0.0697","0.0723","","","","","","0.88","","","","has coordinates,has Fobs","284687","2023-06-29","15:40:19",""
"2022780","10.2674","0.001","10.9688","0.001","17.157","0.0016","73.835","0.003","77.573","0.003","72.894","0.003","1754.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","Trisodium tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)samarate(III) tetradecahydrate","","- C21 H37 N3 Na3 O26 Sm -","- C21 H37 N3 Na3 O26 Sm -","- C42 H74 N6 Na6 O52 Sm2 -","2","1","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004814","","","0.71073","MoKα","","0.0259","0.023","","","0.057","0.0581","","","","","","1.11","","","","has coordinates,has Fobs","284688","2023-06-29","15:41:29",""
"2022781","13.9292","0.0008","11.1969","0.0007","12.8086","0.0007","90","","103.049","0.002","90","","1946.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^2^] tetrahydrate]","","- C14 H19 N2 O14 Sm -","- C14 H19 N2 O14 Sm -","- C56 H76 N8 O56 Sm4 -","4","1","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004814","","","0.71073","MoKα","","0.0233","0.0181","","","0.0397","0.0415","","","","","","1.077","","","","has coordinates,has Fobs","284688","2023-06-29","15:41:29",""
"2022782","13.2004","0.0004","13.2004","0.0004","13.2004","0.0004","90","","90","","90","","2300.18","0.12","223","2","223","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","Trisilver Didysprosium nonanitrate","","- Ag3 Dy2 N9 O27 -","- Ag3 Dy2 N9 O27 -","- Ag12 Dy8 N36 O108 -","4","0.166667","PK2686","Klein, Wilhelm","Crystal structure of Ag3Dy2(NO3)9 and quantitative comparison to isotypic compounds","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004747","","","0.71073","MoKα","","0.0482","0.0445","","","0.1187","0.122","","","","","","1.177","","","","has coordinates,has Fobs","284689","2023-06-29","15:42:36",""
"2022783","6.2384","0.00006","7.4355","0.0001","18.32032","0.00017","90","","91.4183","0.0008","90","","849.539","0.016","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-(β-<i>D</i>-Glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","5-[(β-<i>D</i>-Glucopyranosyl)sulfanyl]-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","","- C15 H19 N3 O5 S2 -","- C15 H19 N3 O5 S2 -","- C30 H38 N6 O10 S4 -","2","1","YZ2035","Abu-Zaied, Mamdouh A.; Hebishy, Ali M. S.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","Crystal structure of 5-(β-D-glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005248","","x-ray","1.54184","CuKα","","0.0191","0.019","","","0.0496","0.0497","","","","","","1.031","","","","has coordinates,has Fobs","284690","2023-06-29","15:43:33",""
"2022784","16.7473","0.0003","12.1998","0.0002","20.9668","0.0004","90","","90","","90","","4283.8","0.13","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tris(2,6-dimethylphenyl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron","","- C56 H47 Fe N3 O -","- C56 H47 Fe N3 O -","- C224 H188 Fe4 N12 O4 -","4","1","MW2197","Bütikofer, André; Chen, Peter","Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300498X","","x-ray","1.54184","CuKα","","0.0514","0.0422","","","0.1041","0.1093","","","","","","1.048","","","","has coordinates,has Fobs","284691","2023-06-29","15:44:42",""
"2022785","15.2471","0.0001","19.8604","0.0001","15.5785","0.0001","90","","99.378","0.001","90","","4654.33","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(naphthalen-2-yl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron acetone hemisolvate","","- C127 H88 Fe2 N6 O3 -","- C127 H88 Fe2 N6 O3 -","- C254 H176 Fe4 N12 O6 -","2","1","","Bütikofer, André; Chen, Peter","Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300498X","","x-ray","1.54184","CuKα","","0.0388","0.0363","","","0.0985","0.0999","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","284691","2023-06-29","15:44:43",""
"2022786","10.793","0.0011","7.2019","0.0007","13.7605","0.0014","90","","100.47","0.0018","90","","1051.79","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)]-di-μ-bromido]","","- C8 H6 Br2 Cd N2 O -","- C8 H6 Br2 Cd N2 O -","- C32 H24 Br8 Cd4 N8 O4 -","4","1","","Turgunov, Kambarali K.; Englert, Ulli","Metal halide coordination compounds with quinazolin-4(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004802","","","0.71073","MoKα","","0.0557","0.0387","","","0.0693","0.0758","","","","","","1.037","","","","has coordinates,has Fobs","284692","2023-06-29","15:46:08",""
"2022787","6.8191","0.0008","7.0735","0.0008","10.4659","0.0012","85.718","0.002","80.7887","0.0019","89.152","0.002","496.92","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]mercury(II)]-di-μ-chlorido]","","- C8 H6 Cl2 Hg N2 O -","- C8 H6 Cl2 Hg N2 O -","- C16 H12 Cl4 Hg2 N4 O2 -","2","1","","Turgunov, Kambarali K.; Englert, Ulli","Metal halide coordination compounds with quinazolin-4(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004802","","","0.71073","MoKα","","0.0393","0.0356","","","0.0734","0.0756","","","","","","1.077","","","","has coordinates,has Fobs","284692","2023-06-29","15:46:18",""
"2022788","22.242","0.003","6.845","0.0009","13.3702","0.0017","90","","118.822","0.0016","90","","1783.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodidobis[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)","","- C16 H12 Cd I2 N4 O2 -","- C16 H12 Cd I2 N4 O2 -","- C64 H48 Cd4 I8 N16 O8 -","4","0.5","","Turgunov, Kambarali K.; Englert, Ulli","Metal halide coordination compounds with quinazolin-4(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004802","","","0.71073","MoKα","","0.0283","0.0263","","","0.0621","0.0629","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","284692","2023-06-29","15:46:34",""
"2022789","7.88","0.0002","8.1542","0.0002","10.5374","0.0003","95.784","0.002","91.525","0.002","112.472","0.001","620.92","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Bis(caffeinium) hexachloridoplatinum(IV)","Bis(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium) hexachloridoplatinum(IV)","","- C16 H22 Cl6 N8 O4 Pt -","- C16 H22 Cl6 N8 O4 Pt -","- C16 H22 Cl6 N8 O4 Pt -","1","0.5","ZV2027","Zagidullin, Karim A.; Novikov, Anton P.; Zelenina, Daria A.; Grigoriev, Mikhail S.; German, Konstantin E.","Synthesis, crystal structure and Hirshfeld surface analysis of bis(caffeinium) hexachloridoplatinum(IV) in comparison with some related compounds","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005157","","","0.71073","MoKα","","0.0229","0.022","","","0.0412","0.0414","","","","","","1.036","","","","has coordinates,has Fobs","284693","2023-06-29","15:47:25",""
"2022790","31.7847","0.0008","6.0289","0.0001","23.722","0.0006","90","","132.669","0.004","90","","3342.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene","","- C18 H18 Cl2 N2 -","- C18 H18 Cl2 N2 -","- C144 H144 Cl16 N16 -","8","1","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0406","0.0381","","","0.1021","0.105","","","","","","1.082","","","","has coordinates,has Fobs","284694","2023-06-29","15:48:54",""
"2022791","30.9062","0.0006","6.27248","0.00005","23.3475","0.0004","90","","127.223","0.003","90","","3604.08","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-\ (4-methylphenyl)diazene","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C152 H160 Cl16 N16 -","8","1","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0335","0.0325","","","0.0894","0.0903","","","","","","1.097","","","","has coordinates,has Fobs","284694","2023-06-29","15:48:59",""
"2022792","13.8738","0.0002","12.5946","0.0002","11.3013","0.0001","90","","112.505","0.001","90","","1824.35","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene","","- C19 H20 Cl2 N2 O -","- C19 H20 Cl2 N2 O -","- C76 H80 Cl8 N8 O4 -","4","1","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0447","0.0429","","","0.1155","0.1179","","","","","","1.058","","","","has coordinates,has Fobs","284694","2023-06-29","15:49:11",""
"2022793","9.8352","0.0002","11.8401","0.0002","16.3964","0.0002","98.397","0.001","96.189","0.001","107.149","0.001","1781.78","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-\ (3-methylphenyl)δiazene","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C76 H80 Cl8 N8 -","4","2","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0598","0.0577","","","0.1679","0.1707","","","","","","1.041","","","","has coordinates,has Fobs","284694","2023-06-29","15:49:26",""
"2022794","17.1868","0.0013","7.1278","0.0005","11.4447","0.0008","90","","90","","90","","1402.02","0.17","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)manganese(II) sulfate","","- C7 H19 Mn N O9 S -","- C7 H19 Mn N O9 S -","- C28 H76 Mn4 N4 O36 S4 -","4","0.5","ZV2026","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0403","0.0321","","","0.0764","0.0808","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:18",""
"2022795","17.1238","0.001","7.1064","0.0004","11.2576","0.0006","90","","90","","90","","1369.92","0.13","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)cobalt(II) sulfate","","- C7 H19 Co N O9 S -","- C7 H19 Co N O9 S -","- C28 H76 Co4 N4 O36 S4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0349","0.0275","","","0.0654","0.0694","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:24",""
"2022796","17.1196","0.0008","7.0609","0.0003","11.2233","0.0005","90","","90","","90","","1356.67","0.1","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)nickel(II) sulfate","","- C7 H19 N Ni O9 S -","- C7 H19 N Ni O9 S -","- C28 H76 N4 Ni4 O36 S4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0262","0.0228","","","0.0577","0.0595","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:36",""
"2022797","17.1312","0.0008","7.0826","0.0003","11.2879","0.0005","90","","90","","90","","1369.6","0.11","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)zinc(II) sulfate","","- C7 H19 N O9 S Zn -","- C7 H19 N O9 S Zn -","- C28 H76 N4 O36 S4 Zn4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0238","0.0214","","","0.0543","0.0556","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:53",""
"2022798","5.5005","0.0002","12.1363","0.0005","26.147","0.001","90","","90","","90","","1745.46","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)tyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C19 H17 Cu N3 O4 -","- C19 H17 Cu N3 O4 -","- C76 H68 Cu4 N12 O16 -","4","1","EX2071","Suzuki, Soma; Akiyama, Yukihito; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[N-(2-oxidobenzylidene)tyrosinato-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004735","","","0.71073","MoKα","","0.0255","0.025","","","0.0613","0.0617","","","","","","1.056","","","","has coordinates,has Fobs","284696","2023-06-29","15:53:07",""
"2022799","12.8264","0.0003","5.5423","0.0001","17.4082","0.0004","90","","109.522","0.001","90","","1166.37","0.04","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-5-chlorobenzophenone oxime","4-Chloro-2-[(hydroxyimino)(phenyl)methyl]aniline","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","TX2069","Geetha, Doreswamy; Kavitha, Channappa N.; Divakara, Thayamma R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chlorobenzophenone oxime at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004668","","","0.71073","MoKα","","0.0429","0.0333","","","0.0781","0.0827","","","","","","1.045","","","","has coordinates,has Fobs","284697","2023-06-29","15:54:01",""
"2022800","4.471","0.002","9.032","0.004","21.652","0.011","90","","92.252","0.008","90","","873.7","0.7","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Bromophenyl)but-3-yn-1-one","","- C10 H7 Br O -","- C10 H7 Br O -","- C40 H28 Br4 O4 -","4","1","DX2053","Siddiqui, Shaziyaparveen K.; Ramana, C. V.; Gonnade, Rajesh G.","Crystal structure of 1-(4-bromophenyl)but-3-yn-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300508X","","","0.71073","MoKα","","0.0656","0.0482","","","0.1281","0.1401","","","","","","1.022","","","","has coordinates,has Fobs","284700","2023-06-29","15:54:54",""
"2022801","13.9764","0.0007","17.8228","0.0009","23.059","0.0011","90","","90","","90","","5744","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>R</i>)-4-Bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrole","","- C26 H24 Br2 N4 O8 S2 -","- C26 H24 Br2 N4 O8 S2 -","- C208 H192 Br16 N32 O64 S16 -","8","1","VM2284","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1H-pyrrole, another ostensible by-product in the synthesis of geminal-dimethyl hydrodipyrrins","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004644","","x-ray","1.54178","CuKα","","0.0305","0.0304","","","0.0795","0.0795","","","","","","1.081","","","","has coordinates,has Fobs","284701","2023-06-29","15:55:47",""
"2022802","17.6062","0.0011","9.7588","0.0007","13.1509","0.0009","90","","95.905","0.002","90","","2247.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C96 H116 F8 N4 O16 -","4","1","ZN2030","Pehlivanlar, Ezgi; Yıldırım, Sema Öztürk; Şimşek, Rahime; Akkurt, Mehmet; Butcher, Ray J.; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","664","668","10.1107/S2056989023005455","","","0.71073","MoKα","","0.0821","0.0458","","","0.096","0.1102","","","","","","1.017","","","","has coordinates,has Fobs","284739","2023-07-01","01:49:18",""
"2022803","6.5394","0.0011","8.9611","0.0015","10.202","0.0015","67.965","0.005","79.666","0.006","70.349","0.006","520.92","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Bis({<i>N</i>'-[(<i>Z</i>)-(furan-2-ylmethylidene)amino]carbamimidoyl}sulfanido)nickel(II) methanol disolvate","Bis{(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate","","- C14 H20 N6 Ni O4 S2 -","- C14 H20 N6 Ni O4 S2 -","- C14 H20 N6 Ni O4 S2 -","1","0.5","JY2031","Azizova, Asmet N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","669","673","10.1107/S2056989023005182","","","0.71073","MoKα","","0.0475","0.0318","","","0.0815","0.0875","","","","","","1.035","","","","has coordinates,has Fobs","284740","2023-07-01","01:49:36",""
"2022804","3.7749","0.0002","7.3711","0.0005","14.4524","0.0009","90","","91.096","0.002","90","","402.07","0.04","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(1<i>H</i>-Imidazol-1-yl)benzaldehyde","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C20 H16 N4 O2 -","2","1","JY2032","McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","678","681","10.1107/S2056989023005480","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0788","0.079","","","","","","1.139","","","","has coordinates,has Fobs","284741","2023-07-01","01:50:09",""
"2022805","8.5663","0.0012","11.2143","0.0016","9.1635","0.0013","90","","94.448","0.002","90","","877.6","0.2","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-1<i>H</i>-imidazole","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","JY2032","McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","678","681","10.1107/S2056989023005480","","x-ray","0.71073","MoKα","","0.0459","0.0403","","","0.1119","0.1185","","","","","","1.037","","","","has coordinates,has Fobs","284741","2023-07-01","01:50:09",""
"2022806","5.8655","0.0005","14.3499","0.0017","16.4803","0.0019","90","","90","","90","","1387.1","0.3","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3-dihydrobenzo[<i>b</i>][1,4]dioxin-6-yl)prop-2-en-1-one","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","VM2285","Vinaya,; Richard, Austin S.; Murthy, Subbiah M.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","674","677","10.1107/S2056989023005613","","","0.71073","MoKα","","0.0371","0.0334","","","0.0806","0.0827","","","","","","1.065","","","","has coordinates,has Fobs","284742","2023-07-01","01:50:38",""
"2022807","11.7044","0.0017","7.8531","0.001","38.253","0.005","90","","90","","90","","3516.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide; benzoic acid","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","EX2072","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005698","","x-ray","0.71073","MoKα","","0.0584","0.0537","","","0.1102","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","284812","2023-07-05","02:14:41",""
"2022808","9.5219","0.0002","10.101","0.0002","30.705","0.0008","90","","96.666","0.001","90","","2933.26","0.11","302","2","302","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Naphthalene-2,3-diyl bis(3-benzyloxy)benzoate","","- C38 H28 O6 -","- C38 H28 O6 -","- C152 H112 O24 -","4","1","HB8069","Anil Kumar, H.; Selvanandan, S.; Srinivasa, H. T.; Venkateshappa, G.; Palakshamurthy, B. S.","Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis(3-benzyloxy)benzoate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005571","","","1.54178","CuKα","","0.0459","0.0418","","","0.1373","0.1419","","","","","","1.058","","","","has coordinates,has Fobs","284813","2023-07-05","02:15:18",""
"2022809","7.9009","0.0004","10.3466","0.0006","9.4948","0.0005","90","","107.703","0.002","90","","739.42","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol tribromide (1/1)","","- C8 H19 Br3 N2 O2 -","- C8 H19 Br3 N2 O2 -","- C16 H38 Br6 N4 O4 -","2","0.5","YZ2034","Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005509","","","0.71073","MoKα","","0.0429","0.0247","","","0.0511","0.0555","","","","","","1.013","","","","has coordinates,has Fobs","284814","2023-07-05","02:16:26",""
"2022810","7.2943","0.0003","7.9544","0.0004","13.6097","0.0007","90.645","0.002","103.651","0.002","93.656","0.002","765.51","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol dibromidoiodate (1/1)","","- C8 H19 Br2 I N2 O2 -","- C8 H19 Br2 I N2 O2 -","- C16 H38 Br4 I2 N4 O4 -","2","1","YZ2034","Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005509","","","0.71073","MoKα","","0.0298","0.019","","","0.0351","0.0376","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","284814","2023-07-05","02:16:26",""
"2022811","10.5264","0.0003","6.7261","0.0002","10.8124","0.0003","90","","105.95","0.001","90","","736.06","0.04","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol dichloridoiodate (1/1)","","- C8 H19 Cl2 I N2 O2 -","- C8 H19 Cl2 I N2 O2 -","- C16 H38 Cl4 I2 N4 O4 -","2","0.25","YZ2034","Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005509","","","0.71073","MoKα","","0.0078","0.0078","","","0.0216","0.0216","","","","","","1.064","","","","has coordinates,has Fobs","284814","2023-07-05","02:16:27",""
"2022812","11.7356","0.0014","9.2401","0.0008","11.397","0.0014","90","","113.148","0.014","90","","1136.4","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(Benzylamino)methylidene]pentane-2,4-dione","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.0746","0.041","","","0.0871","0.0969","","","","","","0.94","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:11",""
"2022813","9.8226","0.0007","9.8323","0.0006","11.27","0.0008","90","","108.171","0.005","90","","1034.16","0.13","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(<i>tert</i>-Butylamino)methylidene]pentan-2,4-dione","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.052","0.0361","","","0.0963","0.1041","","","","","","1.029","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:12",""
"2022814","10.0459","0.0009","8.1011","0.0005","15.7052","0.0013","90","","103.372","0.007","90","","1243.48","0.17","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-{[(<i>S</i>)-Benzyl(methyl)amino]methylidene}pentane-2,4-dione","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","2","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.0661","0.0482","","","0.1157","0.1305","","","","","","1.053","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:12",""
"2022815","15.5444","0.0006","5.5388","0.0003","20.1592","0.0008","90","","103.675","0.007","90","","1686.45","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{<i>S</i>-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}nickel(II)","","- C28 H42 N4 Ni S6 -","- C28 H42 N4 Ni S6 -","- C56 H84 N8 Ni2 S12 -","2","0.5","PK2690","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis{S-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ2 N 3,S}nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005935","","","0.71075","MoKα","","0.0832","0.0446","","","0.0703","0.0787","","","","","","0.999","","","","has coordinates,has Fobs","285171","2023-07-12","02:08:50",""
"2022816","6.2568","0.0005","11.7542","0.0014","16.9162","0.0019","85.329","0.003","79.534","0.004","87.785","0.003","1219","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","Trihexyphenidylium 4-nitrobenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-nitrobenzoate","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C54 H72 N4 O10 -","2","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0555","0.0465","","","0.1028","0.1074","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","285218","2023-07-15","01:47:16",""
"2022817","45.098","0.002","8.5314","0.0005","12.3516","0.0006","90","","101.789","0.002","90","","4652","0.4","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Trihexyphenidylium 4-hydroxybenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-hydroxybenzoate","","- C27 H37 N O4 -","- C27 H37 N O4 -","- C216 H296 N8 O32 -","8","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0531","0.0414","","","0.0855","0.09","","","","","","1.03","","","","has coordinates,has Fobs","285218","2023-07-15","01:47:17",""
"2022818","6.2422","0.0004","17.8126","0.0014","21.9938","0.0019","90","","97.345","0.003","90","","2425.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trihexyphenidylium 4-bromobenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-bromobenzoate","","- C27 H36 Br N O3 -","- C27 H36 Br N O3 -","- C108 H144 Br4 N4 O12 -","4","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0482","0.0367","","","0.0712","0.0737","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","285218","2023-07-15","01:47:17",""
"2022819","6.2765","0.0003","18.539","0.0013","20.6383","0.0014","89.71","0.002","81.6","0.002","88.977","0.002","2375.3","0.3","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","Trihexyphenidylium thiophene-2-carboxylate hemihydrate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium thiophene-2-carboxylate hemihydrate","","- C50 H72 N2 O7 S2 -","- C50 H72 N2 O7 S2 -","- C100 H144 N4 O14 S4 -","2","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0617","0.0421","","","0.091","0.1014","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","285218","2023-07-15","01:47:17",""
"2022820","7.185","0.0006","18.1117","0.0014","10.5206","0.0008","90","","93.579","0.002","90","","1366.4","0.19","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexapotassium tetracarbonatozincate(II)","","- C4 K6 O12 Zn -","- C4 K6 O12 Zn -","- C16 K24 O48 Zn4 -","4","0.5","PK2691","Eder, Felix; Weil, Matthias","Crystal structure of K6[Zn(CO3)4]","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006072","","","0.71073","MoKα","","0.0838","0.0402","","","0.0612","0.0715","","","","","","0.981","","","","has coordinates,has Fobs","285219","2023-07-15","01:47:55",""
"2022821","5.84787","0.00005","12.18109","0.00009","16.24568","0.00015","90","","90","","90","","1157.24","0.017","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2,4-Dimethylfuran-3-yl)-3-phenylprop-2-en-1-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","VM2287","Khalilov, Ali N.; Khrustalev, Victor N.; Samigullina, Aida I.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006084","","","1.54184","CuKα","","0.0302","0.0299","","","0.0802","0.0806","","","","","","1.058","","","","has coordinates,has Fobs","285220","2023-07-15","01:48:24",""
"2022822","10.4951","0.0004","14.1401","0.0005","16.9249","0.0006","90","","106.378","0.008","90","","2409.77","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(acetonitrile-κ<i>N</i>)(μ~3~-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>':<i>O</i>'')sodium]","","- C24 H22 N5 Na O4 S -","- C24 H22 N5 Na O4 S -","- C96 H88 N20 Na4 O16 S4 -","4","1","YZ2037","Kubono, Koji; Tanaka, Ryoichi; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko","Crystal structure of poly[(acetonitrile-κN)(μ3-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ4 N,O:O′:O′′)sodium]","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005959","","","0.71075","MoKα","","0.0706","0.0435","","","0.0932","0.1028","","","","","","1.014","","","","has coordinates,has Fobs","285221","2023-07-15","01:48:47",""
"2022823","7.9588","0.0001","25.984","0.0004","9.5178","0.0002","90","","96.853","0.001","90","","1954.23","0.06","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide","","- C22 H16 F N O2 S2 -","- C22 H16 F N O2 S2 -","- C88 H64 F4 N4 O8 S8 -","4","1","ZN2029","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006096","","","1.54178","CuKα","","0.0525","0.0415","","","0.1032","0.1152","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","285320","2023-07-22","01:59:03",""
"2022824","9.3517","0.0003","31.7075","0.0011","8.6063","0.0003","90","","115.179","0.002","90","","2309.45","0.14","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]-5-fluorophenyl}-<i>N</i>-(but-2-yn-1-yl)benzenesulfonamide","","- C26 H20 F N O2 S2 -","- C26 H20 F N O2 S2 -","- C104 H80 F4 N4 O8 S8 -","4","1","ZN2029","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006096","","","1.54178","CuKα","","0.1353","0.0659","","","0.1661","0.2324","","","","","","0.998","","","","has coordinates,has Fobs","285320","2023-07-22","01:59:04",""
"2022825","7.4542","0.0001","9.5111","0.0002","16.4378","0.0003","88.838","0.004","81.644","0.001","81.414","0.001","1140.11","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4-Cyano-<i>N</i>-[(4-cyanophenyl)sulfonyl]-<i>N</i>-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide","","- C25 H17 N3 O5 S2 -","- C25 H17 N3 O5 S2 -","- C50 H34 N6 O10 S4 -","2","1","TX2071","Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-cyano-N-[(4-cyanophenyl)sulfonyl]-N-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006254","","","1.54184","CuKα","","0.0362","0.0355","","","0.0943","0.0949","","","","","","1.076","","","","has coordinates,has Fobs","285321","2023-07-22","01:59:32",""
"2022826","8.5446","0.0006","10.399","0.0007","8.6149","0.0006","90","","116.784","0.002","90","","683.35","0.08","297","2","297.15","","","","","","","","","3","P 1 21 1","P 2yb","4","<i>N</i>-Cyclohexyltryptamine","<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]cyclohexanamine","","- C16 H22 N2 -","- C16 H22 N2 -","- C32 H44 N4 -","2","1","TX2070","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.053","0.0476","","","0.1185","0.1237","","","","","","1.04","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:24",""
"2022827","10.5584","0.0006","7.9266","0.0005","19.4507","0.0013","90","","92.406","0.002","90","","1626.44","0.18","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Cyclohexyltryptammonium bromide","<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]cyclohexanaminium bromide","","- C16 H23 Br N2 -","- C16 H23 Br N2 -","- C64 H92 Br4 N8 -","4","1","","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.0493","0.0445","","","0.107","0.1087","","","","","","1.224","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:34",""
"2022828","9.2231","0.001","16.1611","0.0016","11.4595","0.0012","90","","99.865","0.004","90","","1682.8","0.3","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Cyclohexyltryptammonium fumarate","Bis{<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]cyclohexanaminium} (2<i>E</i>)-but-2-enedioate","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.0546","0.0426","","","0.1112","0.1214","","","","","","1.028","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:34",""
"2022829","4.6034","0.0002","15.1542","0.0007","24.1754","0.0009","90","","90","","90","","1686.5","0.12","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>,<i>E</i>)-1,3-(3,4:9,10-Dibenzododeca-1,11-diene-5,7-diyne-1,12-\ diyl)benzene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","PK2689","Watanabe, Hikaru; Sato, Takuma; Sumita, Michiki; Shiroyama, Mei; Sugawara, Daichi; Tokuyama, Tomoki; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro","Synthesis, optical properties and crystal structure of (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-diyl)benzene","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","757","761","10.1107/S2056989023006187","","x-ray","0.71073","MoKα","","0.0839","0.0578","","","0.1057","0.1149","","","","","","1.03","","","","has coordinates,has Fobs","285385","2023-07-29","02:03:19",""
"2022830","4.4717","0.0001","11.9367","0.0002","20.1382","0.0003","90","","95.689","0.002","90","","1069.63","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(1<i>E</i>)-(4-Chloro-3-nitrophenyl)methylidene]acetohydrazide","(<i>E</i>)-<i>N</i>'-(4-Chloro-3-nitrobenzylidene)acetohydrazide","","- C9 H8 Cl N3 O3 -","- C9 H8 Cl N3 O3 -","- C36 H32 Cl4 N12 O12 -","4","1","JQ2029","Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa","Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","762","766","10.1107/S2056989023006412","","","1.54184","CuKα","","0.0403","0.0383","","","0.1083","0.1111","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","285386","2023-07-29","02:03:56",""
"2022831","7.7968","0.0003","12.0926","0.0004","14.8738","0.0005","90","","100.601","0.003","90","","1378.42","0.08","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","8-{(<i>E</i>)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl}quinoline","(<i>E</i>)-2-(4-Chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","2","JQ2029","Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa","Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","762","766","10.1107/S2056989023006412","","","1.54184","CuKα","","0.0344","0.0314","","","0.0809","0.0847","","","","","","1.039","","","","has coordinates,has Fobs","285386","2023-07-29","02:03:56",""
"2022832","8.6495","0.0004","8.6593","0.0004","13.1882","0.0006","90","","107.415","0.001","90","","942.5","0.08","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-(2-aminoethyl)morpholine-κ^2^<i>N</i>,<i>N</i>']diaquanickel(II) dichloride","","- C12 H32 Cl2 N4 Ni O4 -","- C12 H32 Cl2 N4 Ni O4 -","- C24 H64 Cl4 N8 Ni2 O8 -","2","0.5","XI2027","Chidambaranathan, Balasubramanian; Sivaraj, Settu; Vijayamathubalan, Pandy; Selvakumar, Shanmugam","Synthesis, crystal structure and Hirshfeld surface analysis of bis-[4-(2-amino-eth-yl)morpholine-κ<sup>2</sup> <i>N</i>,<i>N</i>']di-aqua-nickel(II) dichloride.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","226","230","10.1107/S2056989023001470","","","1.54178","CuKα","","0.0598","0.0588","","","0.1642","0.1653","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","286252","2023-09-06","23:05:12",""
"2022833","12.6692","0.0004","7.0967","0.0003","22.3413","0.0009","90","","103.022","0.004","90","","1957.04","0.13","100","0.1","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(Carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1)","","- C16 H35 Br N2 O4 -","- C16 H35 Br N2 O4 -","- C64 H140 Br4 N8 O16 -","4","0.5","WM5689","Carlson, Faith M.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a (carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1) hydrogen-bonded dimer","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006850","","","1.54184","CuKα","","0.0447","0.0396","","","0.1042","0.1086","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","285640","2023-08-12","01:54:29",""
"2022834","7.6327","0.0005","9.5561","0.0006","11.2899","0.0007","90","","104.095","0.003","90","","798.68","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0628","0.0408","","","0.0904","0.1006","","","","","","1.029","","","","has coordinates,has Fobs","285783","2023-08-16","01:48:03",""
"2022835","3.7712","0.0003","6.1229","0.0005","34.868","0.003","90","","93.099","0.003","90","","803.95","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0595","0.0434","","","0.0803","0.0851","","","","","","1.132","","","","has coordinates","285783","2023-08-16","01:48:11",""
"2022836","3.8029","0.0002","9.9199","0.0005","11.5709","0.0006","66.828","0.002","82.168","0.003","82.245","0.002","395.96","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0455","0.0357","","","0.0898","0.096","","","","","","1.051","","","","has coordinates,has Fobs","285783","2023-08-16","01:48:43",""
"2022837","16.754","0.003","7.0021","0.0012","22.103","0.004","90","","106.522","0.006","90","","2485.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,2'-bipyridineκ^2^<i>N</i>,<i>N</i>')bis(3-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-copper(II) 0.68-hydrate,","","- C26 H25.36 Cu N2 O5.68 -","- C26 H25.36 Cu N2 O5.68 -","- C104 H101.44 Cu4 N8 O22.72 -","4","1","DJ2063","Qadir, Adnan","Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006904","","","0.71073","MoKα","","0.0604","0.0419","","","0.094","0.1056","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","285785","2023-08-16","01:52:54",""
"2022838","6.3279","0.0004","7.7816","0.0006","14.1342","0.001","77.191","0.003","83.66","0.003","67.86","0.002","628.35","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-5-{(1<i>E</i>)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate","","- C7 H14 Cl N5 O S2 -","- C7 H14 Cl N5 O S2 -","- C14 H28 Cl2 N10 O2 S4 -","2","1","WM5691","Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Asadov, Khammed A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007090","","","0.71073","MoKα","","0.0524","0.0357","","","0.1016","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","285800","2023-08-17","01:47:37",""
"2022839","10.0987","0.0003","12.2744","0.0004","12.4842","0.0005","99.448","0.003","110.701","0.003","100.696","0.003","1377.27","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","3-(Bromomethyl)-2-[1,2-dibromo-2-(6-nitrobenzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-1-(phenylsulfonyl)-1<i>H</i>-indole chloroform 0.585-solvate","","- C24.58 H17.58 Br3 Cl1.75 N2 O6 S -","- C24.585 H17.585 Br3 Cl1.755 N2 O6 S -","- C49.17 H35.17 Br6 Cl3.51 N4 O12 S2 -","2","1","HB8071","Achyuta, Nagaraj; Kanagasabai, Somarathinam; Vinayagam, Pavunkumar; Mohanakrishnan, Arasambattu K.; Gautham, Namasivayam; Gunasekaran, Krishnasamy","Crystal structure and Hirshfeld surface analysis of 3-(bromomethyl)-2-[1,2-dibromo-2-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethyl]-1-(phenylsulfonyl)-1H-indole chloroform 0.585-solvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007120","","x-ray","1.54184","CuKα","","0.0493","0.0437","","","0.1271","0.1336","","","","","","1.07","","","","has coordinates,has Fobs","285801","2023-08-17","01:48:36",""
"2022840","16.0139","0.0008","8.2743","0.0004","8.5596","0.0004","90","","96.484","0.001","90","","1126.92","0.09","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Methoxy-3,4,5,6-tetrahydro-1<i>H</i>-benzo[<i>b</i>]azonine-2,7-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","DX2054","Flores, Maritza J.; Mai, Brandon; Tanski, Joseph M.","Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007259","","x-ray","0.71073","MoKα","","0.0559","0.0401","","","0.0997","0.1099","","","","","","1.044","","","","has coordinates,has Fobs","285854","2023-08-24","01:43:33",""
"2022841","20.513","0.002","5.6374","0.0006","18.783","0.002","90","","100.757","0.002","90","","2133.9","0.4","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methoxy-1,2,3,4-tetrahydrocarbazole","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","DX2054","Flores, Maritza J.; Mai, Brandon; Tanski, Joseph M.","Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007259","","x-ray","0.71073","MoKα","","0.054","0.0415","","","0.1082","0.1166","","","","","","1.032","","","","has coordinates,has Fobs","285854","2023-08-24","01:43:34",""
"2022842","15.4317","0.0003","17.2945","0.0003","7.98733","0.00015","90","","90","","90","","2131.69","0.07","199.95","0.1","199.95","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","(1,4,8,11-Tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) tetraiodidocadmate(II)","","- C10 H24 Cd I4 N4 Ni -","- C10 H24 Cd I4 N4 Ni -","- C40 H96 Cd4 I16 N16 Ni4 -","4","0.5","EX2074","Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D.","Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007004","","x-ray","0.71073","MoKα","","0.0429","0.0314","","","0.0586","0.0636","","","","","","1.062","","","","has coordinates,has Fobs","285855","2023-08-24","01:44:15",""
"2022843","15.6013","0.0003","17.2644","0.0003","8.1099","0.0002","90","","90","","90","","2184.38","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Triiodido-1κ^3^<i>I</i>-μ-iodido-(1,4,8,11-tetraazacyclotetradecane-2κ^4^<i>N</i>)cadmium(II)zinc(II)","","- C10 H24 Cd I4 N4 Zn -","- C10 H24 Cd I4 N4 Zn -","- C40 H96 Cd4 I16 N16 Zn4 -","4","0.5","EX2074","Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D.","Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007004","","x-ray","0.71073","MoKα","","0.0445","0.0323","","","0.0597","0.0648","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","285855","2023-08-24","01:44:16",""
"2022844","9.6493","0.0007","13.0873","0.0008","10.4634","0.0007","90","","117.188","0.002","90","","1175.36","0.14","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate","","- C8 H16 Cl2 N2 O2 -","- C8 H16 Cl2 N2 O2 -","- C32 H64 Cl8 N8 O8 -","4","1","VM2289","Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Divakara, Thayamma R.; Geetha, Doreswamy; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure studies and Hirshfeld surface analysis of 4-(dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007223","","","0.71073","MoKα","","0.0233","0.021","","","0.0616","0.0632","","","","","","1.126","","","","has coordinates,has Fobs","285856","2023-08-24","01:44:46",""
"2022845","18.8065","0.001","10.0745","0.0006","28.847","0.003","90","","90","","90","","5465.5","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Dimethoxypyrimidyltennimide","3,11,19,27-Tetrakis(4,6-dimethoxypyrimidin-2-yl)-3,11,19,27,33,34,35,36-\ octaazapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-\ 1(33),5,7,9(36),13(35),14,16,21(34),22,24,29,31-dodecaen-\ 2,4,10,12,18,20,26,28-octone 0.167-hydrate","","- C52 H40.33 N16 O16.17 -","- C52 H40.334 N16 O16.167 -","- C208 H161.336 N64 O64.668 -","4","0.5","EX2073","Mocilac, Pavle; Pohl, Fabian; Gallagher, John F.","The unusual (syn-/anti-)2 conformation of a dimethoxypyrimidyl-based tennimide","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006837","","","1.54184","CuKα","","0.0819","0.0543","","","0.1353","0.1592","","","","","","1.034","","","","has coordinates,has Fobs","285857","2023-08-24","01:45:18",""
"2022846","8.9714","0.0002","9.3564","0.0003","10.4969","0.0002","94.088","0.002","105.954","0.002","107.393","0.002","797.05","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-{[5-(Methylsulfanyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]methyl}benzo[<i>d</i>]thiazole","","- C17 H14 N4 S2 -","- C17 H14 N4 S2 -","- C34 H28 N8 S4 -","2","1","YZ2038","Azzam, Rasha A.; Elgemeie, Galal H.; Elboshi, Heba A.; Jones, Peter G.","Crystal structure of 2-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzo[d]thiazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007041","","x-ray","0.71073","MoKα","","0.0322","0.028","","","0.0835","0.0862","","","","","","1.044","","","","has coordinates,has Fobs","285858","2023-08-24","01:45:49",""
"2022847","12.9774","0.0008","18.3039","0.0011","18.2877","0.0011","90","","90","","90","","4344","0.5","223.1","","223.1","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","{(<i>R</i>)-1-[1-(Dimethylamino)ethyl]napthyl-κ^2^<i>N</i>,<i>C</i>^2^}[(diphenylphosphanylmethyl)diphenylphosphine sulfide-κ^2^<i>P</i>,<i>S</i>]platinum(II) hexafluoridoantimonate dichloromethane monosolvate","","- C40 H40 Cl2 F6 N P2 Pt S Sb -","- C39 H38 F6 N P2 Pt S Sb -","- C156 H152 F24 N4 P8 Pt4 S4 Sb4 -","4","1","QF3061","Faller, Jack; Parr, Jonathan","Hemilability and structural considerations in complexes of platinum(II) comprising bis(diphenylphosphanyl)methane monoxide, monosulfide, and monoselenide","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623007325","","","0.71075","MoKα","","0.0779","0.0544","","","0.0974","0.105","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","285905","2023-08-30","01:48:27",""
"2022848","25.0497","0.0003","9.8428","0.0001","16.7577","0.0002","90","","94.534","0.001","90","","4118.83","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminobenzoxazole-κ<i>N</i>^3^)bis(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)","","- C18 H18 Cd N4 O6 -","- C18 H18 Cd N4 O6 -","- C144 H144 Cd8 N32 O48 -","8","1","JY2035","Razzoqova, Surayyo; Ibragimov, Aziz; Torambetov, Batirbay; Kadirova, Shakhnoza; Holczbauer, Tamas; Ashurov, Jamshid; Ibragimov, Bakhtiyar","Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","862","866","10.1107/S2056989023007399","","x-ray","1.54184","CuKα","","0.0347","0.0297","","","0.0748","0.0784","","","","","","1.047","","","","has coordinates,has Fobs","285923","2023-08-31","02:01:13",""
"2022849","7.52646","0.00006","13.40703","0.00012","12.65801","0.00011","90","","92.8635","0.0008","90","","1275.69","0.019","566.15","","566.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Azaniumylquinolinium tetrachloridozincate(II)","","- C9 H10 Cl4 N2 Zn -","- C9 H10 Cl4 N2 Zn -","- C36 H40 Cl16 N8 Zn4 -","4","1","WM5692","Umirova, Gulnora A.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Kasimov, Sherzod A.; Djalilov, Abdulakhat T.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.","Crystal structure and Hirshfeld surface analysis of 8-azaniumylquinolinium tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","856","861","10.1107/S2056989023007466","","x-ray","1.54184","CuKα","","0.0243","0.0231","","","0.0639","0.0647","","","","","","1.064","","","","has coordinates,has Fobs","285924","2023-08-31","02:01:43",""
"2022850","3.942","","11.5915","0.0002","28.0387","0.0004","90","","90","","90","","1281.19","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(4-Bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","TX2073","Akkurt, Mehmet; Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","847","851","10.1107/S2056989023007387","","","1.54184","CuKα","","0.0219","0.0215","","","0.0522","0.0524","","","","","","1.143","","","","has coordinates,has Fobs","285925","2023-08-31","02:02:19",""
"2022851","9.759","0.0001","11.7951","0.0002","16.7553","0.0002","90","","90","","90","","1928.68","0.04","183.15","","183.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-Deoxyguanosine dimethyl sulfoxide disolvate","","- C14 H25 N5 O6 S2 -","- C14 H25 N5 O6 S2 -","- C56 H100 N20 O24 S8 -","4","1","ZV2028","Spingler, Bernhard","Crystal structure of the nucleoside 2′-deoxyguanosine dimethyl sulfoxide disolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","852","855","10.1107/S2056989023007405","","","0.71073","MoKα","","0.0355","0.0304","","","0.0717","0.0729","","","","","","1.009","","","","has coordinates,has Fobs","285926","2023-08-31","02:02:46",""
"2022852","12.7698","0.0016","14.9212","0.0018","7.1087","0.0008","90","","90","","90","","1354.5","0.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 2-(2-oxo-2<i>H</i>-chromen-4-yl)benzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","MW2198","Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L.","Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","842","846","10.1107/S2056989023007351","","","0.71073","MoKα","","0.0741","0.0658","","","0.1539","0.1584","","","","","","1.079","","","","has coordinates,has Fobs","285927","2023-08-31","02:03:11",""
"2022853","6.7445","0.0015","13.498","0.003","8.01","0.002","90","","94.421","0.007","90","","727","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","VM2288","Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Rzayev, Rovnag M.; Asadov, Khammed A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007181","","","0.71073","MoKα","","0.1025","0.0496","","","0.1161","0.1416","","","","","","1.041","","","","has coordinates,has Fobs","286282","2023-09-09","01:35:50",""
"2022854","8.8072","0.0012","17.795","0.002","16.222","0.002","90","","91.317","0.009","90","","2541.7","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C32 H28 F2 N2 O2 -","- C32 H28 F2 N2 O2 -","- C128 H112 F8 N8 O8 -","4","2","HB8074","Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K.","Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S205698902300748X","","","0.71073","MoKα","","0.147","0.1177","","","0.297","0.3238","","","","","","1.167","","","","has coordinates,has Fobs","286283","2023-09-09","01:36:18",""
"2022855","6.5899","0.0001","17.9658","0.0002","11.9444","0.0001","90","","96.131","0.001","90","","1406.04","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(3-cyanopyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)\ cobalt(II)","","- C26 H16 Co N10 O4 S2 -","- C26 H16 Co N10 O4 S2 -","- C52 H32 Co2 N20 O8 S4 -","2","0.5","HB8070","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal behavior of tetrakis(3-cyanopyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), which shows strong pseudosymmetry","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023006862","","x-ray","1.54184","CuKα","","0.0278","0.0266","","","0.0819","0.0827","","","","","","1.113","","","","has coordinates,has Fobs","286284","2023-09-09","01:36:43",""
"2022856","6.6935","0.0001","7.2024","0.0001","12.7978","0.0002","90","","90","","90","","616.973","0.016","100","2","100","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C16 H16 Cl8 Co4 N8 -","4","0.25","HB8073","Näther, Christian; Jess, Inke","Synthesis and crystal structure of catena-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ2 N 1:N 2]","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007065","","x-ray","1.54184","CuKα","","0.0206","0.0203","","","0.0575","0.0577","","","","","","1.068","","","","has coordinates,has Fobs","286285","2023-09-09","01:37:06",""
"2022857","4.7033","0.0002","11.1113","0.0006","11.3876","0.0005","81.759","0.002","83.356","0.002","85.564","0.002","583.89","0.05","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","Methyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","WM5688","El-Mrabet, Ayoub; Haoudi, Amal; Dalbouha, Samira; Skalli, Mohamed Khalid; Hökelek, Tuncer; Capet, Frederic; Kandri Rodi, Youssef; Mazzah, Ahmed; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, inter-action energy and energy framework calculations, as well as density functional theory (DFT) com-putation, of methyl 2-oxo-1-(prop-2-yn-yl)-1,2-di-hydro-quinoline-4-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","883","889","10.1107/S2056989023007557","","","0.71073","MoKα","","0.0635","0.0466","","","0.1405","0.1479","","","","","","1.109","","","","has coordinates,has Fobs","287469","2023-11-07","12:00:08",""
"2022858","14.4848","0.0003","12.5663","0.0002","15.2708","0.0003","90","","116.424","0.001","90","","2489.2","0.08","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ethoxy-1-ethyl-6-nitroquinoxalin-2(1<i>H</i>)-one","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","2","HB8072","Yousra, Seqqat; El Ghayati, Lhoussaine; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure and Hirshfeld surface analysis of 3-ethoxy-1-ethyl-6-nitroquinoxalin-2(1H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007624","","","1.54178","CuKα","","0.0553","0.0473","","","0.126","0.1374","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","286287","2023-09-09","01:38:15",""
"2022859","7.45681","0.00013","8.41737","0.0001","12.8928","0.0002","74.0382","0.0012","73.7634","0.0014","72.7034","0.0013","725.4","0.02","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","3-(4-Fluorophenyl)-2-formyl-7-methylimidazo[1,2-<i>a</i>]pyridin-1-ium chloride monohydrate","","- C15 H14 Cl F N2 O2 -","- C15 H14 Cl F N2 O2 -","- C30 H28 Cl2 F2 N4 O4 -","2","1","JY2034","Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Sokolovskiy, Pavel V.; Sebyakin, Yurii L.; Samigullina, Aida I.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluorophenyl)-2-formyl-7-methylimidazo[1,2-a]pyridin-1-ium chloride monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007272","","x-ray","1.54184","CuKα","","0.0338","0.0334","","","0.0855","0.0858","","","","","","1.028","","","","has coordinates,has Fobs","286318","2023-09-13","01:44:55",""
"2022860","7.44","0.0008","9.92","0.001","11.52","0.0013","93.071","0.009","105.349","0.01","108.879","0.011","766.71","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2<i>H</i>-1,2,3-triazole","","- C16 H13 N7 O2 -","- C16 H13 N7 O2 -","- C32 H26 N14 O4 -","2","1","ZN2031","Maharramov, Abel; Shikhaliyev, Namiq Q.; Abdullayeva, Afaq; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Gahramanova, Shahnaz I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007855","","","0.79313","synchrotron","","0.0529","0.0463","","","0.1274","0.1333","","","","","","1.08","","","","has coordinates,has Fobs","286350","2023-09-15","01:44:40",""
"2022861","11.4047","0.0009","7.1107","0.0003","16.8997","0.0013","90","","107.009","0.008","90","","1310.54","0.16","100","0.12","100","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Dibromo-3,4,5-trimethoxybenzoic acid","2,6-Dibromo-3,4,5-trimethoxybenzoic acid","","- C10 H10 Br2 O5 -","- C10 H10 Br2 O5 -","- C40 H40 Br8 O20 -","4","1","JY2033","Meurer, Florian; Dimova, Tanya; Bodensteiner, Michael; Kolev, Iliyan","2,6-Dibromo-3,4,5-trimethoxybenzoic acid","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007831","","x-ray","0.71073","MoKα","","0.0875","0.0528","","","0.1066","0.1231","","","","","","1.0578","","","","has coordinates,has Fobs","286351","2023-09-15","01:45:16",""
"2022862","8.4573","0.0001","23.5853","0.0003","11.0072","0.0001","90","","111.749","0.002","90","","2039.29","0.05","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>Z</i>,2'<i>E</i>)-2,2'-(3-Methoxy-3-phenylpropane-1,2-diylidene)bis(2-methylhydrazine-1-carbothioamide) dimethylformamide monosolvate","","- C15 H23 N7 O2 S2 -","- C15 H23 N7 O2 S2 -","- C60 H92 N28 O8 S8 -","4","1","YZ2041","Guseinov, Firudin I.; Knyazev, Aleksandr V.; Shuvalova, Elena V.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007946","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0874","0.0877","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","286352","2023-09-15","01:45:44",""
"2022863","5.6","0.3","9.6","0.3","28.2","0.3","90","","90.3","0.09","90","","1516","10","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","quabodepistat-2,5-dihydroxybenzoicacid","5-{[(3<i>R</i>,4<i>R</i>)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy}-8-fluoro-3,4-dihydroquinolin-2(1<i>H</i>)-one–2,5-dihydroxybenzoic acid (1/1)","","- C28 H26 Cl F3 N2 O8 -","- C28 H26 Cl F3 N2 O8 -","- C56 H52 Cl2 F6 N4 O16 -","2","1","DJ2052","Sakamoto, Nasa; Gato, Katsuhiko","Crystal structure of a 1:1 co-crystal of quabodepistat (OPC-167832) with 2,5-dihydroxybenzoic acid using microcrystal electron diffraction","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023006047","","","0.0251","electron","","0.2455","0.1602","","","0.4121","0.4803","","","","","","1.075","","","","has coordinates","286428","2023-09-20","01:48:31",""
"2022864","4.1205","0.0005","4.1205","0.0005","4.1205","0.0005","90","","90","","90","","69.96","0.015","293","","293","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Silicon pernitride","","- N2 Si -","- N2 Si -","- N8 Si4 -","4","0.166667","WM5694","Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim","Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023008058","","x-ray","0.28457","synchrotron","","0.1285","0.0706","","","0.1601","0.1907","","","","","","1.072","","","","has coordinates,has Fobs","286429","2023-09-20","01:48:57",""
"2022865","17.349","0.008","6.894","0.003","12.173","0.005","90","","92.878","0.012","90","","1454.1","1.1","110.15","","110.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ferrocenyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazol-5-amine","","- C18 H16 Fe N4 -","- C18 H16 Fe N4 -","- C72 H64 Fe4 N16 -","4","1","WM5693","Joekar, Delara; Hiscock, Lana K.; Dawe, Louise N.","Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023008101","","","0.71073","MoKα","","0.0607","0.0355","","","0.0687","0.078","","","","","","1.015","","","","has coordinates,has Fobs","286430","2023-09-20","01:49:34",""
"2022866","7.2881","0.0002","22.0453","0.0008","10.2761","0.0003","90","","90.28","0.003","90","","1651.02","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-[(Benzo[<i>d</i>]thiazol-2-ylimino)methyl]-5-(diethylamino)phenol","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","PK2698","Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc","Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","982","987","10.1107/S2056989023008514","","x-ray","0.71073","MoKα","","0.0667","0.0528","","","0.1283","0.1375","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","288127","2023-12-07","11:47:32",""
"2022867","10.6725","0.0005","11.8934","0.0004","16.1411","0.0007","86.207","0.003","87.553","0.004","88.394","0.003","2041.82","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>,<i>N</i>-Diethyl-2,2-diphenyl-2<i>H</i>-1,3λ^3^,2λ^4^-benzodioxaborinin-7-amine","7-(Diethylamino)-2,2-diphenyl-1,3-dioxa-2-borata-1,2-dihydronaphthalene","","- C23 H24 B N O2 -","- C23 H24 B N O2 -","- C92 H96 B4 N4 O8 -","4","2","","Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc","Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","982","987","10.1107/S2056989023008514","","x-ray","0.71073","MoKα","","0.1228","0.069","","","0.1632","0.1957","","","","","","1.051","","","","has coordinates,has Fobs","288127","2023-12-07","11:47:33",""
"2022868","6.8537","0.0005","7.0873","0.0006","14.5145","0.0006","95.746","0.005","91.156","0.004","115.002","0.007","634.23","0.08","293","","293","","","","","","","","","5","P -1","-P 1","2","","Bis(3-carboxy-1-methylpyridinium) octabromide","","- C14 H16 Br8 N2 O4 -","- C14 H16 Br8 N2 O4 -","- C14 H16 Br8 N2 O4 -","1","0.5","WM5697","Sirenko, Valerii Y.; Naumova, Dina D.; Golenya, Irina A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of bis-(3-carb-oxy-1-methyl-pyrid-inium) octa-bromide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","977","981","10.1107/S2056989023008460","","","0.71073","MoKα","","0.0975","0.0473","","","0.062","0.0748","","","","","","1.0231","","","","has coordinates,has Fobs","288138","2023-12-07","11:50:03",""
"2022869","8.09","0.0001","9.5772","0.0001","12.24","0.0001","70.242","0.001","76.004","0.001","83.86","0.001","865.693","0.017","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromido(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II)] butanol monosolvate","","- C28 H38 Br4 Co2 N4 O5 -","- C28 H38 Br4 Co2 N4 O5 -","- C28 H38 Br4 Co2 N4 O5 -","1","0.5","PK2697","Näther, Christian; Jess, Inke","Synthesis, crystal structure and reactivity of bis-(μ-2-methyl-pyridine <i>N</i>-oxide-κ<sup>2</sup><i>O</i>:<i>O</i>)bis-[di-bromido-(2-methyl-pyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II)] butanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","972","976","10.1107/S2056989023008228","","x-ray","1.54184","CuKα","","0.0245","0.0244","","","0.0648","0.0649","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","288152","2023-12-07","11:52:20",""
"2022870","15.084","0.005","11.418","0.004","17.097","0.006","90","","91.097","0.009","90","","2944.1","1.8","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>}palladium(II)","","- C32 H28 N6 Pd S2 -","- C32 H28 N6 Pd S2 -","- C128 H112 N24 Pd4 S8 -","4","1","","de Melo, Ana Paula Lopes; Martins, Bianca Barreto; Bresolin, Leandro; Tirloni, Bárbara; de Oliveira, Adriano Bof","Synthesis, crystal structure and Hirshfeld analysis of <i>trans</i>-bis-{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-yl-idene]hydrazinecarbo-thio-amidato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>S</i>}palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","993","998","10.1107/S2056989023008654","","x-ray","0.71073","MoKα","","0.036","0.0255","","","0.0582","0.0628","","","","","","1.048","","","","has coordinates,has Fobs","288133","2023-12-07","11:49:09",""
"2022871","8.4623","0.0002","5.6487","0.00016","17.4536","0.0004","90","","98.786","0.002","90","","824.51","0.04","199.99","0.11","199.99","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)carbamato-κ<i>O</i>]copper(II) tetrahydrate","","- C10 H20 Cu N6 O8 -","- C10 H20 Cu N6 O8 -","- C20 H40 Cu2 N12 O16 -","2","0.5","TX2076","Sirenko, Valerii Y.; Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Naumova, Dina D.; Shova, Sergiu","Carbon dioxide capture from air leading to bis-[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i><sup>2</sup>)carbamato-κ<i>O</i>]copper(II) tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","988","992","10.1107/S2056989023008575","","","1.54184","CuKα","","0.0487","0.0413","","","0.11","0.1184","","","","","","1.048","","","","has coordinates,has Fobs","288141","2023-12-07","11:50:33",""
"2022872","11.6286","0.0005","8.6913","0.0004","15.818","0.0007","90","","110.38","0.005","90","","1498.62","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(4-Acetylphenyl)carbamoyl]phenyl acetate","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","DJ2060","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Srour, Aladdin M.","Synthesis, crystal structure and <i>in vitro</i> anti-proliferative activity of 2-[(4-acetyl-phen-yl)carbamo-yl]phenyl acetate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","999","1002","10.1107/S2056989023008526","","","1.54184","CuKα","","0.0509","0.0427","","","0.1229","0.1337","","","","","","1.032","","","","has coordinates,has Fobs","288147","2023-12-07","11:51:22",""
"2022873","9.8242","0.0005","10.6574","0.0006","19.2507","0.0011","90","","97.75","0.0018","90","","1997.15","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibenzylammonium hydrogen (4-aminophenyl)arsonate monohydrate","","- C20 H25 As N2 O4 -","- C20 H24.88 As N2 O4 -","- C80 H99.52 As4 N8 O16 -","4","1","DJ2065","Traoré, Bocar; Diallo, Waly; Sidibé, Mamadou; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of di-benzyl-ammonium hydrogen (4-amino-phen-yl)arsonate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1003","1007","10.1107/S205698902300837X","","x-ray","0.71073","MoKα","","0.0272","0.0219","","","0.0512","0.054","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","288149","2023-12-07","11:51:50",""
"2022908","9.1318","0.0001","9.1318","0.0001","17.1558","0.0002","90","","90","","120","","1238.95","0.02","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","Dicesium gadolinium hexaniobium pentadecachloride trioxide","","","- Cl15 Cs2 Gd Nb6 O3 -","- Cl15 Cs2 Gd Nb6 O3 -","- Cl30 Cs4 Gd2 Nb12 O6 -","2","0.166667","WM5695","Silaban, Saronom; Haryani, Maefa Eka; Gulo, Fakhili; Perrin, Christiane","Crystal structure of Cs<sub>2</sub>GdNb<sub>6</sub>Cl<sub>15</sub>O<sub>3</sub> in the structural evolution of niobium oxychlorides with octa-hedral Nb<sub>6</sub>-cluster units.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1008","1011","10.1107/S205698902300871X","","","0.71073","MoKα","","0.0347","0.0292","","","0.0652","0.0677","","","","","","1.149","","","","has coordinates,has Fobs","288139","2023-12-07","11:50:10",""
"2022909","13.3292","0.0006","11.1365","0.0005","28.5973","0.0012","90","","90","","90","","4245","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Anthracen-9-yl)-1-(<i>tert</i>-butyldimethylsilyl)-3,6-dihydro-1λ^4^,2λ^4^-azaborinine","","- C24 H30 B N Si -","- C24 H30 B N Si -","- C192 H240 B8 N8 Si8 -","8","1","VM2290","Gliese, Philipp J.; Appiarius, Yannik; Scheele, Tarek; Lork, Enno; Neudecker, Tim; Staubitz, Anne","Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(<i>tert</i>-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ<sup>4</sup>,2λ<sup>4</sup>-aza-borinine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1012","1016","10.1107/S2056989023008381","","x-ray","0.71073","MoKα","","0.0541","0.0421","","","0.098","0.1033","","","","","","1.068","","","","has coordinates,has Fobs","288144","2023-12-07","11:50:58",""
"2022910","14.804","0.0011","12.4631","0.0006","19.4486","0.0008","90","","90","","90","","3588.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bromido(pyrrolidine-κ<i>N</i>)gold(I) bis(pyrrolidine-κ<i>N</i>)gold(I) bromide","","- C12 H27 Au2 Br2 N3 -","- C12 H27 Au2 Br2 N3 -","- C96 H216 Au16 Br16 N24 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.082","0.0512","","","0.1161","0.1298","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","288153","2023-12-07","11:52:48",""
"2022911","8.47646","0.00016","6.57436","0.00011","16.9961","0.0003","90","","93.5133","0.0016","90","","945.37","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trichlorido(piperidine-κ<i>N</i>)gold(III)","","- C5 H11 Au Cl3 N -","- C5 H11 Au Cl3 N -","- C20 H44 Au4 Cl12 N4 -","4","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0187","0.0165","","","0.0292","0.0296","","","","","","1.132","","","","has coordinates,has Fobs","288153","2023-12-07","11:52:59",""
"2022912","19.4014","0.0015","9.7612","0.0006","19.1922","0.0011","90","","90","","90","","3634.6","0.4","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis(piperidinium) tetrachloridoaurate(III) chloride","","- C10 H24 Au Cl5 N2 -","- C10 H24 Au Cl5 N2 -","- C80 H192 Au8 Cl40 N16 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0864","0.0414","","","0.0572","0.0674","","","","","","1.021","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:01",""
"2022913","19.1275","0.0007","9.4396","0.0013","18.9259","0.0017","90","","90","","90","","3417.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","Bis(pyrrolidinium) tetrabromidoaurate(III) bromide","","- C8 H20 Au Br5 N2 -","- C8 H20 Au Br5 N2 -","- C64 H160 Au8 Br40 N16 -","8","0.5","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0504","0.034","","","0.0608","0.0652","","","","","","1.077","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:11",""
"2022914","7.3473","0.0003","22.086","0.0008","8.5066","0.0003","90","","96.423","0.003","90","","1371.72","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tribromido(piperidine-κ<i>N</i>)gold(III) dichloromethane monosolvate","","- C6 H13 Au Br3 Cl2 N -","- C6 H13 Au Br3 Cl2 N -","- C24 H52 Au4 Br12 Cl8 N4 -","4","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0317","0.0242","","","0.0373","0.0385","","","","","","1.15","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:13",""
"2022915","14.7726","0.0009","16.2952","0.0011","26.1406","0.0015","90","","98.791","0.007","90","","6218.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-urea derivative based on A1/A2-functionalized pillar[5]arene dimethylformamide monosolvate","","- C66 H77 N5 O13 -","- C66 H77 N5 O13 -","- C264 H308 N20 O52 -","4","1","JQ2032","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F","Crystal structure and supra-molecular features of a bis-urea-functionalized pillar[5]arene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1044","1048","10.1107/S2056989023009003","","","0.71075","MoKα","","0.1302","0.0525","","","0.1267","0.1569","","","","","","0.931","","","","has coordinates,has disorder,has Fobs","288131","2023-12-07","11:48:49",""
"2022916","8.8639","0.0004","9.1035","0.0005","9.2106","0.0005","66.004","0.002","73.603","0.002","70.161","0.002","629.63","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diacetatobis[4-(2-aminoethyl)morpholine]cadmium tetrahydrate","","- C16 H42 Cd N4 O10 -","- C16 H42 Cd N4 O10 -","- C16 H42 Cd N4 O10 -","1","0.5","JQ2030","Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Selvakumar, S.","Synthesis, crystal structure and Hirshfeld surface analysis of di-acetato-bis-[4-(2-amino-eth-yl)morpholine]cadmium tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1049","1054","10.1107/S2056989023008782","","","0.71073","MoKα","","0.0225","0.0223","","","0.0554","0.0556","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","288134","2023-12-07","11:49:19",""
"2022917","7.2179","0.0006","9.5043","0.0008","11.9945","0.0009","90","","97.584","0.002","90","","815.64","0.11","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,4-Dihydro-1λ^6^,4-benzothiazine-1,1,3-trione","2<i>H</i>-Benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one 1,1-dioxide","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C32 H28 N4 O12 S4 -","4","1","WM5698","Irrou, Ezaddine; Ait Elmachkouri, Younesse; Mazzah, Ahmed; Hökelek, Tuncer; Haoudi, Amal; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface and crystal void analysis, inter-molecular inter-action energies, DFT calculations and energy frameworks of 2<i>H</i>-benzo[<i>b</i>][1,4]thia-zin-3(4<i>H</i>)-one 1,1-dioxide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1037","1043","10.1107/S205698902300868X","","","0.71073","MoKα","","0.0268","0.0252","","","0.0733","0.0744","","","","","","1.042","","","","has coordinates,has Fobs","288136","2023-12-07","11:49:43",""
"2022918","25.4076","0.0008","9.9854","0.0002","22.357","0.0008","90","","120.265","0.005","90","","4899","0.4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[tetraaqua(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.1^3,17^.1^8,12^]tetracosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetrahydrate]","","- C12 H28 Fe Li2 N12 O14 -","- C12 H28 Fe Li2 N12 O14 -","- C96 H224 Fe8 Li16 N96 O112 -","8","1","TX2074","Plutenko, Maksym O.; Shova, Sergiu; Pavlenko, Vadim A.; Golenya, Irina A.; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of poly[[tetra-aqua-(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca-aza-tetra-cyclo-[8.8.4.1<sup>3,17</sup>.1<sup>8,12</sup>]tetra-cosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetra-hydrate].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1059","1062","10.1107/S2056989023008587","","","0.71073","MoKα","","0.0453","0.0345","","","0.0789","0.0856","","","","","","1.047","","","","has coordinates,has Fobs","288143","2023-12-07","11:50:48",""
"2022919","20.5385","0.0005","8.1977","0.0002","12.3185","0.0003","90","","105.231","0.001","90","","2001.19","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(12-Bromododecyl)indoline-2,3-dione","","- C20 H28 Br N O2 -","- C20 H28 Br N O2 -","- C80 H112 Br4 N4 O8 -","4","1","HB8077","Rharmili, Nohaila; Abdellaoui, Omar; Haoudi, Amal; Mague, Joel T.; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Kandri Rodi, Youssef; Mazzah, Ahmed; Sebbar, Nada Kheira","Synthesis, crystal structure and Hirshfeld surface analysis of 1-(12-bromo-dodec-yl)indoline-2,3-dione.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1033","1036","10.1107/S2056989023009052","","","1.54178","CuKα","","0.0323","0.0303","","","0.0822","0.0839","","","","","","1.06","","","","has coordinates,has Fobs","288146","2023-12-07","11:51:14",""
"2022920","13.0134","0.0002","34.9495","0.0005","39.4864","0.0006","90","","90","","90","","17958.9","0.5","110","2","110","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","(μ-Hydrogen disulfato)-μ-oxido-bis[(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)oxidovanadium(IV/V)] acetonitrile monosolvate","","- C38 H52 N5 O11 S2 V2 -","- C38 H52 N5 O11 S2 V2 -","- C608 H832 N80 O176 S32 V32 -","16","0.5","NX2001","Kodama, Shintaro; Hashiguchi, Terushi; Nomoto, Akihiro","Crystal structure of (μ-hydrogen di-sulfato)-μ-oxido-bis-[(4,4'-di-<i>tert</i>-butyl-2,2'-bi-pyridine)-oxidovanadium(IV/V)] aceto-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1055","1058","10.1107/S2056989023009040","","","0.71073","MoKα","","0.0534","0.0431","","","0.1054","0.1101","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","288148","2023-12-07","11:51:35",""
"2022921","7.7421","0.0002","10.1612","0.0002","10.1749","0.0003","72.143","0.002","73.252","0.003","68.004","0.002","692.67","0.03","100.1","0.3","100.1","0.3","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'-μ-bromido-copper(I)] 1,2-bis(pyridin-4-yl)ethene 0.25-solvate]","","- C15 H12.5 Br Cu N2.5 -","- C15 H12.5 Br Cu N2.5 -","- C30 H25 Br2 Cu2 N5 -","2","1","HB8078","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and thermal properties of poly[[μ-1,2-bis-(pyridin-4-yl)ethene-κ<sup>2</sup><i>N</i>:<i>N</i>'-μ-bromido-copper(I)] 1,2-bis-(pyridin-4-yl)ethene 0.25-solvate].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1028","1032","10.1107/S205698902300885X","","x-ray","1.54184","CuKα","","0.0296","0.0293","","","0.0753","0.0755","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","288151","2023-12-07","11:52:10",""
"2022922","8.4178","0.0004","13.1915","0.0007","16.4645","0.0009","91.823","0.003","93.269","0.002","104.534","0.002","1764.87","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{[2,6-Bis(hydroxymethyl)-4-methylphenoxy]methyl}-3,5-bis{[(4,6-\ dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene formamide monosolvate","","- C39 H53 N5 O4 -","- C39 H53 N5 O4 -","- C78 H106 N10 O8 -","2","1","EX2075","Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structures of two solvates of 1-{[2,6-bis-(hy-droxy-meth-yl)-4-methyl-phen-oxy]meth-yl}-3,5-bis-{[(4,6-di-methyl-pyridin-2-yl)amino]meth-yl}-2,4,6-tri-ethyl-benzene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1067","1071","10.1107/S2056989023009155","","","0.71073","MoKα","","0.0888","0.0594","","","0.1563","0.1759","","","","","","1.027","","","","has coordinates,has Fobs","288129","2023-12-07","11:48:20",""
"2022923","8.6241","0.0002","11.1755","0.0002","20.127","0.0004","102.268","0.0012","98.8911","0.001","92.9034","0.001","1865.73","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{[2,6-Bis(hydroxymethyl)-4-methylphenoxy]methyl}-3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene–<i>n</i>-propanol–water (1/0.777/0.223)","","- C40.33 H56.22 N4 O4 -","- C40.331 H56.216 N4 O4 -","- C80.662 H112.432 N8 O8 -","2","1","","Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structures of two solvates of 1-{[2,6-bis-(hy-droxy-meth-yl)-4-methyl-phen-oxy]meth-yl}-3,5-bis-{[(4,6-di-methyl-pyridin-2-yl)amino]meth-yl}-2,4,6-tri-ethyl-benzene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1067","1071","10.1107/S2056989023009155","","","0.71073","MoKα","","0.0632","0.045","","","0.1075","0.1186","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","288129","2023-12-07","11:48:20",""
"2022924","20.0425","0.0014","9.8589","0.0006","17.1167","0.0009","90","","105.172","0.004","90","","3264.3","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(9-mesityl-9,10-dihydro-10-aza-9-borabenzo[<i>h</i>]quinolinato-κ^2^<i>N</i>^1^,<i>N</i>^10^)zinc(II)","","- C40 H36 B2 N4 Zn -","- C40 H36 B2 N4 Zn -","- C160 H144 B8 N16 Zn4 -","4","0.5","DJ2071","Appiarius, Yannik; Puylaert, Pim; Staubitz, Anne","Synthesis and crystal structure of bis-(9-mesityl-9,10-di-hydro-10-aza-9-borabenzo[<i>h</i>]quinolinato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>N</i><sup>10</sup>)zinc(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1063","1066","10.1107/S2056989023009192","","","0.71073","MoKα","","0.05","0.0363","","","0.0891","0.0974","","","","","","1.057","","","","has coordinates,has Fobs","288150","2023-12-07","11:52:01",""
"2022925","7.0845","0.0004","10.4369","0.0006","21.6298","0.0011","90","","91.878","0.002","90","","1598.45","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Naphthalen-2-yl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","DJ2070","Bui, Thai Thanh Thu; Mac, Dinh Hung; Quang Trung, Pham; Pham, Chien Thang","Crystal structure of 4-(naphthalen-2-yl)-2-oxo-6-phenyl-1,2-di-hydro-pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1076","1078","10.1107/S2056989023009180","","","0.71073","MoKα","","0.0686","0.0479","","","0.1099","0.1225","","","","","","1.061","","","","has coordinates,has Fobs","288135","2023-12-07","11:49:28",""
"2022926","12.7613","0.0003","7.7054","0.0001","13.4641","0.0003","90","","111.554","0.002","90","","1231.36","0.05","563.15","","563.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(<i>o</i>-phenylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate","","- C22 H26 N4 Ni O8 S2 -","- C22 H26 N4 Ni O8 S2 -","- C44 H52 N8 Ni2 O16 S4 -","2","0.5","WM5701","Suyunov, Jabbor R.; Turaev, Khayit Kh; Alimnazarov, Bekmurod Kh; Nazarov, Yusuf E.; Mengnorov, Islombek J.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.","Synthesis, crystal structure and Hirshfeld surface analysis of di-aqua-bis-(<i>o</i>-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-di-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1083","1087","10.1107/S2056989023009350","","x-ray","1.54184","CuKα","","0.0391","0.036","","","0.0948","0.0971","","","","","","1.044","","","","has coordinates,has Fobs","288137","2023-12-07","11:49:56",""
"2022927","5.6642","0.0013","16.519","0.006","14.414","0.006","90","","90.73","0.02","90","","1348.6","0.8","106","2","106","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2,6-Diisopropylphenyl)-1<i>H</i>-imidazole","","- C15 H20 N2 -","- C15 H20 N2 -","- C60 H80 N8 -","4","1","OI2001","Dudeja, Neil; Arreaga, Briana C.; Brannon, Jacob P.; Stieber, S Chantal E","Crystal structure of 1-(2,6-diiso-propyl-phen-yl)-1<i>H</i>-imidazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1079","1082","10.1107/S2056989023009179","","","0.71073","MoKα","","0.0428","0.0396","","","0.0967","0.099","","","","","","1.085","","","","has coordinates,has Fobs","288140","2023-12-07","11:50:26",""
"2022928","5.9425","0.0002","11.4831","0.0004","3.46425","0.00012","90","","90","","90","","236.395","0.014","294","2","294","2","","","","","","","synthesised by authors, see text","3","P b a m","-P 2 2ab","55","","Yttrium chromium tetraboride","","- B4 Cr Y -","- B4 Cr Y -","- B16 Cr4 Y4 -","4","0.5","PK2696","Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa","Redetermination of the crystal structure of yttrium chromium tetra-boride, YCrB<sub>4</sub>, from single-crystal X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1072","1075","10.1107/S2056989023008952","","","0.71073","MoKα","","0.0222","0.0146","","","0.028","0.0292","","","","","","1.114","","","","has coordinates,has Fobs","288142","2023-12-07","11:50:40",""
"2022929","20.3549","0.0002","10.2084","0.0001","13.031","0.0001","90","","90","","90","","2707.72","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(pyridine-3-carbonitrile)dithiocyanatoiron(II)","","- C26 H16 Fe N10 S2 -","- C26 H16 Fe N10 S2 -","- C104 H64 Fe4 N40 S8 -","4","1","HB8079","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1093","1099","10.1107/S205698902300909X","","x-ray","1.54178","CuKα","","0.0269","0.0267","","","0.0736","0.0738","","","","","","1.063","","","","has coordinates,has Fobs","288128","2023-12-07","11:47:48",""
"2022930","8.1065","0.0001","8.288","0.0001","11.4347","0.0002","84.765","0.001","77.787","0.001","70.826","0.001","709.021","0.018","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","Diaquabis(pyridine-3-carbonitrile)dithiocyanatoiron(II) pyridine-3-carbonitrile monosolvate","","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","1","0.5","","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1093","1099","10.1107/S205698902300909X","","x-ray","1.54184","CuKα","","0.0215","0.0215","","","0.06","0.06","","","","","","1.146","","","","has coordinates,has Fobs","288128","2023-12-07","11:47:58",""
"2022931","8.83222","0.00018","9.9714","0.0002","12.1043","0.0002","90","","97.6408","0.0019","90","","1056.56","0.04","200","0.2","200","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(3-amino-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(5-amino-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(nitrato-κ<i>O</i>)copper(II)","bis(3-aminopyrazole-κ<i>N</i>^1^)bis(3-aminoyrazole-\ κ<i>N</i>^2^)bis(nitrato-κ<i>O</i>)copper(II)","","- C12 H20 Cu N14 O6 -","- C12 H20 Cu N14 O6 -","- C24 H40 Cu2 N28 O12 -","2","0.5","WM5699","Kucheriv, Olesia I.; Golenya, Irina A.; Prysiazhna, Olena; Partsevska, Sofiia V.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of bis-(3-aminopyrazole-κ<i>N</i><sup>1</sup>)bis-(3-aminopyrazole-κ<i>N</i><sup>2</sup>)bis-(nitrato-κ<i>O</i>)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1100","1103","10.1107/S2056989023009295","","x-ray","1.54184","CuKα","","0.0426","0.0381","","","0.1108","0.1137","","","","","","1.107","","","","has coordinates,has Fobs","288130","2023-12-07","11:48:31",""
"2022932","5.8357","0.0004","13.6362","0.0009","15.4653","0.001","97.595","0.003","96.957","0.003","99.771","0.003","1189.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,9,11,18,20,27-Hexaaza-1,10,19-triboraheptacyclo[18.7.0.0^2,10^.0^3,8^.0^11,19^.0^12,17^.0^21,26^]heptacosa-3(8),4,6,12(17),13,15,21(26),22,24-nonaene","Triazatriborinotris[1,3,2]benzodiazaborole acetone disolvate","","- C24 H27 B3 N6 O2 -","- C24 H27 B3 N6 O2 -","- C48 H54 B6 N12 O4 -","2","1","EX2077","Streeter, Cole; Wheeler, Kraig A.; Lamm, Ashley N.","Crystal structure and Hirshfeld surface analysis of tri-aza-triborinotris[1,3,2]benzodi-aza-borole acetone disolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1104","1108","10.1107/S2056989023009337","","x-ray","1.54178","CuKα","","0.046","0.0386","","","0.0896","0.0948","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","288132","2023-12-07","11:48:58",""
"2022933","24.0655","0.0018","3.7704","0.0003","27.4258","0.0019","90","","99.481","0.008","90","","2454.5","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-1<i>H</i>-imidazol-3-ium 3,5-dicarboxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C104 H96 N16 O48 -","8","1","JQ2031","Baletska, Sofiia; Techert, Simone; Velazquez-Garcia, Jose de Jesus","Crystal structure of 2-methyl-1<i>H</i>-imidazol-3-ium 3,5-di-carb-oxy-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1088","1092","10.1107/S2056989023009209","","","0.71073","MoKα","","0.0566","0.0392","","","0.0931","0.1029","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","288145","2023-12-07","11:51:06",""
"2022934","8.3265","0.0003","14.9699","0.0005","13.9523","0.0004","90","","99.242","0.001","90","","1716.53","0.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis(pyridin-2-yl-κ<i>N</i>)amine](formato-κ<i>O</i>)(<i>m</i>-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C72 H60 Cu4 N12 O20 -","4","1","WM5700","Chaisuriya, Wanassanan; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure and Hirshfeld surface analysis of a new mononuclear copper(II) complex: [bis(pyridin-2-yl-κN)amine](formato-κO)(m-hydroxybenzoato-κ2 O,O′)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1115","1120","10.1107/S2056989023009234","","x-ray","0.71073","MoKα","","0.0891","0.0455","","","0.096","0.1148","","","","","","1.012","","","","has coordinates,has Fobs","288937","2024-01-07","11:49:33",""
"2022935","5.96605","0.00017","5.13977","0.00012","9.9308","0.0003","90","","107.275","0.003","90","","290.783","0.015","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Calcium hexafluoridosilicate dihydrate","","- Ca F6 H4 O2 Si -","- Ca F6 H4 O2 Si -","- Ca2 F12 H8 O4 Si2 -","2","0.5","HB8080","Motaln, Klemen; Lozinšek, Matic","Crystal structure of CaSiF6·2H2O(mP2) and reevaluation of the SiIV–F bond-valence parameter R 0","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1121","1126","10.1107/S2056989023009349","","x-ray","1.54184","CuKα","","0.025","0.0247","","","0.0691","0.0696","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","288944","2024-01-07","11:50:52",""
"2022936","11.9879","0.0007","12.1807","0.0007","15.4518","0.0009","90","","90","","90","","2256.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C96 H116 F8 N4 O16 -","4","1","EV2001","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1132","1136","10.1107/S2056989023009623","","","0.71073","MoKα","","0.0838","0.0453","","","0.0947","0.1074","","","","","","1.027","","","","has coordinates,has Fobs","288939","2024-01-07","11:49:57",""
"2022937","16.3178","0.0004","9.2747","0.0002","14.872","0.0004","90","","93.771","0.001","90","","2245.9","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1<i>H</i>-9-thia-2-azacyclopenta[<i>b</i>]fluorene-4-carboxylic acid dimethyl sulfoxide-<i>d</i>~6~ monosolvate","","- C24 H19 D6 N O6 S2 -","- C24 H19 D6 N O6 S2 -","- C96 H76 D24 N4 O24 S8 -","4","1","TX2077","Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Erokhin, Pavel P.; Grigoriev, Mikhail S.; Atioğlu, Zeliha; Azizova, Asmet N.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 10-hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1H-9-thia-2-azacyclopenta[b]fluorene-4-carboxylic acid dimethyl sulfoxide-d 6 monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1127","1131","10.1107/S2056989023009635","","","0.71073","MoKα","","0.0586","0.0492","","","0.1233","0.1292","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","288947","2024-01-07","11:51:25",""
"2022938","9.58785","0.00004","16.83642","0.00008","19.55978","0.0001","90","","103.732","0.0005","90","","3067.19","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyridine-2,6-diol","6-Hydroxy-1,2-dihydropyridin-2-one","","- C30 H30 N6 O12 -","- C30 H30 N6 O12 -","- C120 H120 N24 O48 -","4","1","JY2036","Phillips, Sara K.; Brancato, Savannah G.; MacMillan, Samantha N.; Snider, Mark J.; Roering, Andrew J.; Hicks, Katherine A.","Synthesis and crystallographic characterization of 6-hydroxy-1,2-dihydropyridin-2-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1147","1150","10.1107/S205698902300974X","","x-ray","1.54184","CuKα","","0.0336","0.0318","","","0.0814","0.0828","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","288935","2024-01-07","11:49:14",""
"2022939","13.742","0.0013","8.8912","0.0013","23.114","0.002","90","","94.742","0.004","90","","2814.5","0.5","294","2","294","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>Z</i>)-3-Oxo-<i>N</i>-phenyl-2-[(1<i>H</i>-pyrrol-2-yl)methylidene]butanamide monohydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","VM2291","Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, Ibrahim G.","Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1142","1146","10.1107/S2056989023009799","","","0.71073","MoKα","","0.0836","0.0411","","","0.0876","0.1085","","","","","","1.046","","","","has coordinates,has Fobs","288941","2024-01-07","11:50:19",""
"2022940","5.0515","0.0002","6.7912","0.0003","8.7083","0.0006","83.585","0.004","79.907","0.004","86.833","0.003","292.09","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[dibromidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^3^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^3^]","","- C6 H10 Br2 Cd N6 -","- C6 H10 Br2 Cd N6 -","- C6 H10 Br2 Cd N6 -","1","0.5","TX2078","Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym","Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1151","1154","10.1107/S2056989023009751","","x-ray","1.54184","CuKα","","0.0454","0.0452","","","0.1335","0.1336","","","","","","1.272","","","","has coordinates,has Fobs","288942","2024-01-07","11:50:27",""
"2022941","4.9925","0.0006","12.4283","0.0016","15.0643","0.0019","98.42","0.007","94.302","0.007","91.15","0.006","921.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>S</i>-<i>n</i>-Octyl 3-(1-phenylethylidene)dithiocarbazate","","- C17 H26 N2 S2 -","- C17 H26 N2 S2 -","- C34 H52 N4 S4 -","2","1","ZV2030","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Ansary, Md. Rezaul Haque","Crystal structure of S-n-octyl 3-(1-phenylethylidene)dithiocarbazate and of its bis-chelated nickel(II) complex","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1137","1141","10.1107/S2056989023009726","","","0.71075","MoKα","","0.0922","0.0708","","","0.1829","0.1957","","","","","","1.076","","","","has coordinates,has disorder","288945","2024-01-07","11:51:03",""
"2022942","13.6399","0.0003","17.6532","0.0005","16.7596","0.0003","90","","114","0.008","90","","3686.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[<i>S</i>-<i>n</i>-octyl 3-(1-phenylethylidene)dithiocarbazato]nickel(II)","","- C34 H50 N4 Ni S4 -","- C34 H50 N4 Ni S4 -","- C136 H200 N16 Ni4 S16 -","4","1","ZV2030","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Ansary, Md. Rezaul Haque","Crystal structure of S-n-octyl 3-(1-phenylethylidene)dithiocarbazate and of its bis-chelated nickel(II) complex","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1137","1141","10.1107/S2056989023009726","","","0.71075","MoKα","","0.0589","0.0416","","","0.0903","0.0963","","","","","","1.039","","","","has coordinates,has Fobs","288945","2024-01-07","11:51:03",""
"2022943","9.1895","0.0007","10.3507","0.0008","21.6887","0.0016","90","","99.644","0.003","90","","2033.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tricadmium orthophosphate","Tricadmium bis(orthophosphate)","","- Cd3 O8 P2 -","- Cd3 O8 P2 -","- Cd36 O96 P24 -","12","3","OO2001","Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure reinvestigation and spectroscopic analysis of tricadmium orthophosphate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1155","1160","10.1107/S2056989023009775","","","0.71073","MoKα","","0.0336","0.0232","","","0.0505","0.0535","","","","","","1.074","","","","has coordinates,has Fobs","288946","2024-01-07","11:51:15",""
"2022944","7.74843","0.0001","19.2895","0.0003","10.69753","0.00011","90","","93.3777","0.001","90","","1596.11","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-2-(1<i>H</i>-1,3-benzodiazol-2-yl)phenolato]bis[ethanol(thiocyanato)cobalt(II)]","","- C32 H30 Co2 N6 O4 S2 -","- C32 H30 Co2 N6 O4 S2 -","- C64 H60 Co4 N12 O8 S4 -","2","0.5","EX2078","Orton, James B.; Diouf, Ngone; Gueye, Rokhaya S.; Gaye, Mohamed; Thiam, Ibrahima Elhadji; Coles, Simon J.","Synthesis and crystal structures of two related Co and Mn complexes: a celebration of collaboration between the universities of Dakar and Southampton","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1109","1114","10.1107/S2056989023009805","","x-ray","1.54178","CuKα","","0.0301","0.0286","","","0.0784","0.0793","","","","","","1.083","","","","has coordinates,has Fobs","288936","2024-01-07","11:49:24",""
"2022945","12.412","0.003","12.43","0.004","15.7","0.005","69.021","0.005","86.73","0.006","75.348","0.009","2186.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis(2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>)palladium(II) ethanol monosolvate","","- C42 H66 N6 O Pd S2 -","- C42 H66 N6 O Pd S2 -","- C84 H132 N12 O2 Pd2 S4 -","2","1","","Melo, Ana Paula Lopes de; Bresolin, Leandro; Tirloni, Bárbara; Farias, Renan Lira de; Oliveira, Adriano Bof de","Synthesis, crystal structure and Hirshfeld analysis of trans-bis(2-{1-[(6R,S)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamidato-κ2 N 2,S)palladium(II) ethanol monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1166","1172","10.1107/S2056989023009908","","x-ray","0.71073","MoKα","","0.0322","0.028","","","0.0664","0.0691","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","288938","2024-01-07","11:49:44",""
"2022946","18.9504","0.0009","5.92161","0.00019","11.3049","0.0005","90","","114.729","0.006","90","","1152.27","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(morpholine-κ<i>N</i>)gold(I) chloride","","- C8 H18 Au Cl N2 O2 -","- C8 H18 Au Cl N2 O2 -","- C32 H72 Au4 Cl4 N8 O8 -","4","0.5","YZ2043","Döring, Cindy; Jones, Peter G.","Crystal structures of the isotypic complexes bis(morpholine)gold(I) chloride and bis(morpholine)gold(I) bromide","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1161","1165","10.1107/S2056989023009702","","","0.71073","MoKα","","0.0217","0.0149","","","0.0239","0.0255","","","","","","1.064","","","","has coordinates,has Fobs","288940","2024-01-07","11:50:07",""
"2022947","18.8719","0.0006","6.0784","0.00017","11.405","0.0004","90","","114.595","0.004","90","","1189.58","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(morpholine-κ<i>N</i>)gold(I) bromide","","- C8 H18 Au Br N2 O2 -","- C8 H18 Au Br N2 O2 -","- C32 H72 Au4 Br4 N8 O8 -","4","0.5","YZ2043","Döring, Cindy; Jones, Peter G.","Crystal structures of the isotypic complexes bis(morpholine)gold(I) chloride and bis(morpholine)gold(I) bromide","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1161","1165","10.1107/S2056989023009702","","","0.71073","MoKα","","0.0188","0.0151","","","0.0247","0.0256","","","","","","1.079","","","","has coordinates,has Fobs","288940","2024-01-07","11:50:07",""
"2022948","10.79412","0.00006","10.79412","0.00006","11.15065","0.00011","90","","90","","90","","1299.2","0.016","100","0.1","100","0.1","","","","","","","","6","P 4 n c","P 4 -2n","104","","Chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)","","- C25 H16 Cl Fe N9 S -","- C25 H16 Cl Fe N9 S -","- C50 H32 Cl2 Fe2 N18 S2 -","2","0.25","NX2002","Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian","Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1173","1178","10.1107/S205698902300988X","","x-ray","1.54184","CuKα","","0.0227","0.0225","","","0.0653","0.0654","","","","","","1.139","","","","has coordinates,has Fobs","288943","2024-01-07","11:50:35",""
"2022949","5.5229","0.0002","11.9579","0.0005","22.5767","0.0009","90","","94.962","0.001","90","","1485.43","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one","","- C29 H44 N8 O -","- C29 H44 N8 O -","- C58 H88 N16 O2 -","2","1","HB8081","Zouhair, Mustapha; El Ghayati, Lhoussaine; El Monfalouti, Hanae; Abchihi, Hicham; Hökelek, Tuncer; Ahmed, Mazzah; Mague, Joel T.; Sebbar, Nada Kheira","Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1179","1182","10.1107/S2056989023009891","","","0.71073","MoKα","","0.0422","0.0356","","","0.086","0.09","","","","","","1.049","","","","has coordinates,has Fobs","288948","2024-01-07","11:51:35",""
"2022950","5.3864","0.0006","18.013","0.002","7.0112","0.0008","90","","96.288","0.004","90","","676.17","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-(prop-2-yn-1-yl)pyrimidin-2(1<i>H</i>)-one","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C28 H28 N12 O4 -","4","1","WM5702","Lahyaoui, Mouad; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, intermolecular interaction energies, energy frameworks and DFT calculations of 4-amino-1-(prop-2-yn-1-yl)pyrimidin-2(1H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1183","1189","10.1107/S2056989023009933","","","0.71073","MoKα","","0.0452","0.0398","","","0.1089","0.1133","","","","","","1.046","","","","has coordinates,has Fobs","288949","2024-01-07","11:51:48",""
"2022951","21.9709","0.0015","5.1271","0.0004","27.022","0.002","90","","93.633","0.004","90","","3037.8","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","2-(Cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one","","- C15 H15 F3 N2 O3 S -","- C15 H15 F3 N2 O3 S -","- C120 H120 F24 N16 O24 S8 -","8","1","VM2292","Richter, Adrian; Goddard, Richard; Imming, Peter; Seidel, Rüdiger W.","Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1194","1198","10.1107/S2056989023010137","","","0.71073","MoKα","","0.0587","0.0422","","","0.1036","0.1162","","","","","","1.041","","","","has coordinates,has Fobs","287918","2023-12-01","03:09:02",""
"2022952","12.7712","0.0004","13.6102","0.0004","24.7288","0.0008","98.301","0.003","97.814","0.003","117.051","0.003","3687.5","0.2","103","","103","","","","","","","","","8","P -1","-P 1","2","","Tetrakis{<i>N</i>-[bis(pyrrolidin-1-yl)phosphoryl]acetamidato}bis(propan-2-ol)neodymiumsodium propan-2-ol monosolvate","","- C49 H88 Cl12 N12 Na Nd O11 P4 -","- C49 H88 Cl12 N12 Na Nd O11 P4 -","- C98 H176 Cl24 N24 Na2 Nd2 O22 P8 -","2","1","MW2199","Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Znovjyak, Kateryna O.; Shishkina, Svitlana V.; Amirkhanov, Volodymyr M.","Synthesis, crystal structure and Hirshfeld surface analysis of the tetrakis complex NaNdPyr4(i-PrOH)2·i-PrOH with a carbacylamidophosphate of the amide type","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1218","1222","10.1107/S2056989023010071","","","0.71073","MoKα","","0.0581","0.0466","","","0.1025","0.11","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","287919","2023-12-01","03:09:41",""
"2022953","16.6921","0.0004","16.6921","0.0004","12.4112","0.0004","90","","90","","90","","3458.09","0.16","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","Tetrabutylazanium tetramethylazanium hexa-μ~4~-hydroxido-dodeca-μ~2~-pyrazolato-<i>hexahedro</i>-octanickel","","- C56 H90 N26 Ni8 O6 -","- C56 H90 N26 Ni8 O6 -","- C112 H180 N52 Ni16 O12 -","2","0.0625","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.0446","0.0435","","","0.1125","0.1133","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:00",""
"2022954","30.39","0.0018","14.5762","0.0009","14.5141","0.0009","90","","90","","90","","6429.3","0.7","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","Bis(tetrabutylazanium) hexa-μ~4~-hydroxido-dodeca-μ~2~-(4-methylpyrazolato)-<i>hexahedro</i>-octanickel 1,2-dichloroethane 7.196-solvate","","- C94.39 H164.78 Cl14.39 N26 Ni8 O6 -","- C94.392 H164.784 Cl14.392 N26 Ni8 O6 -","- C188.784 H329.568 Cl28.784 N52 Ni16 O12 -","2","0.25","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.084","0.0812","","","0.2524","0.2542","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:01",""
"2022955","13.973","0.008","20.765","0.01","31.873","0.014","99.896","0.017","94.798","0.017","99.1","0.02","8937","8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetrabutylazanium) hexa-μ~4~-hydroxido-dodeca-μ~2~-(4-octylpyrazolato)-<i>hexahedro</i>-octanickel","","- C164 H306 N26 Ni8 O6 -","- C164 H306 N26 Ni8 O6 -","- C328 H612 N52 Ni16 O12 -","2","1","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.0947","0.0659","","","0.1624","0.1849","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:01",""
"2022956","12.364","0.007","11.148","0.005","13.898","0.007","90","","96.5","0.019","90","","1903.3","1.7","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-diazepane","2,7-Bis(4-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one","","- C19 H20 Cl2 N2 O -","- C19 H20 Cl2 N2 O -","- C76 H80 Cl8 N8 O4 -","4","1","JW2001","Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Winfred Jebaraj, John Peter; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan","Synthesis, crystal structure and computational analysis of 2,7-bis(4-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1212","1217","10.1107/S2056989023010162","","","0.71073","MoKα","","0.0902","0.0487","","","0.1046","0.1275","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","287921","2023-12-01","03:11:46",""
"2022957","23.5743","0.0002","7.7286","0.0001","19.726","0.0002","90","","103.858","0.001","90","","3489.39","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(benzene-1,2-diamine-κ<i>N</i>)cadmium(II) naphthalene-1,5-disulfonate","","- C34 H38 Cd N8 O6 S2 -","- C34 H38 Cd N8 O6 S2 -","- C136 H152 Cd4 N32 O24 S8 -","4","0.5","DJ2067","Suyunov, Jabbor; Torambetov, Batirbay; Turaev, Khayit; Kadirova, Shakhnoza; Alimnazarov, Bekmurod; Ashurov, Jamshid","Synthesis, crystal structure and Hirshfeld surface analysis of a cadmium complex of naphthalene-1,5-disulfonate and o-phenylenediamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1190","1193","10.1107/S2056989023010125","","x-ray","1.54184","CuKα","","0.023","0.0225","","","0.0602","0.0605","","","","","","1.04","","","","has coordinates,has Fobs","287922","2023-12-01","03:12:17",""
"2022958","5.3854","0.0013","5.3676","0.0013","17.051","0.004","90","","90","","90","","492.9","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Dioxidodibismuth(III) hydroxide nitrate","","- Bi2 H N O6 -","- Bi2 N O6 -","- Bi8 N4 O24 -","4","1","HB8084","Weil, Matthias; Missen, Owen P.; Mills, Stuart J.","Dimorphism of [Bi2O2(OH)](NO3) – the ordered Pna21 structure at 100 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1223","1227","10.1107/S205698902301023X","","","0.71073","MoKα","","0.038","0.0298","","","0.055","0.0574","","","","","","0.984","","","","has coordinates,has Fobs","287923","2023-12-01","03:12:50",""
"2109099","13.3428","0.0004","18.932","0.0005","8.9404","0.0002","90","","90.361","0.002","90","","2258.35","0.1","150","2","423","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","aluminophosphate oxocuprate","sodium alumonophosphate oxocuprate chloride","","- Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24 -","- Al8 Cl7 Cu24 Li4.192 Na19.808 O105.004 P24 -","- Al8 Cl7 Cu24 Li4.192 Na19.808 O105.004 P24 -","1","0.125","JE5049","Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V.","(Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure","Acta Crystallographica Section B","2023","79","1","24","31","10.1107/S2052520622011696","","","0.71073","MoKα","","0.0405","0.039","","","0.1089","0.1097","","","","","","1.165","","","","has coordinates,has Fobs","281906","2023-03-16","03:03:17",""
"2109100","7.0815","0.0002","6.6996","0.0002","16.7734","0.0005","90","","101.256","0.0013","90","","780.48","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H5 Nd O8 Se2 -","- H5 Nd O8 Se2 -","- H20 Nd4 O32 Se8 -","4","1","","Murtazoev, Alisher F.; Berdonosov, Peter S.; Aksenov, Sergey M.; Kuznetsov, Alexey N.; Dolgikh, Valery A.; Nelyubina, Yulia V.; Merlino, Stefano","Polytypism of Ln(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O, DFT calculations and order/disorder description.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","176","183","10.1107/S2052520622012227","","x-ray","0.71075","MoKα","","0.0408","0.0376","","","0.0579","0.0608","","","","1.52","1.52","1.55","","","","has coordinates,has Fobs","282433","2023-04-05","16:28:55",""
"2109101","8.5104","0.0012","8.5104","0.0012","5.1975","0.001","90","","90","","90","","376.44","0.1","293","2","293","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","RA5120","Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M.","Refinement of the crystal structure of fresnoite, Ba<sub>2</sub>TiSi<sub>2</sub>O<sub>8</sub>, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated Ti<sup>IV</sup> and a titanyl bond.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","184","194","10.1107/S2052520622012045","","","0.71073","MoKα","","0.0115","0.0115","","","0.0267","0.0267","","","","","","1.196","","","","has coordinates,has Fobs","282434","2023-04-05","16:29:04",""
"2244219","7.8434","0.0005","7.0795","0.0004","10.9133","0.0007","90","","102.836","0.008","90","","590.84","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dirubidium cobalt(II) bis(oxalate) tetrahydrate","Dirubidium diaquadioxalatocobalt(II) dihydrate","","- C4 H8 Co O12 Rb2 -","- C4 H8 Co O12 Rb2 -","- C8 H16 Co2 O24 Rb4 -","2","0.5","WM5668","Clulow, Rebecca; Lightfoot, Philip","Syntheses and crystal structures of three novel oxalate coordination compounds: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","267","271","10.1107/S2056989023001822","","","0.71075","MoKα","","0.0254","0.0206","","","0.0484","0.0496","","","","","","0.974","","","","has coordinates,has Fobs","283575","2023-05-06","10:44:00",""
"2244220","5.3445","0.0003","6.438","0.0004","12.5866","0.0008","90","","90","","90","","433.08","0.05","173","2","173","2","","","","","","","","5","I m m m","-I 2 2","71","Dirubidium cobalt(II) dichloride oxalate","<i>catena</i>-Poly[dirubidium [[dichloridocobalt(II)]-μ-oxalato]]","","- C2 Cl2 Co O4 Rb2 -","- C2 Cl2 Co O4 Rb2 -","- C4 Cl4 Co2 O8 Rb4 -","2","0.125","WM5668","Clulow, Rebecca; Lightfoot, Philip","Syntheses and crystal structures of three novel oxalate coordination compounds: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","267","271","10.1107/S2056989023001822","","","0.71075","MoKα","","0.0193","0.0177","","","0.0421","0.0427","","","","","","1.112","","","","has coordinates,has Fobs","283575","2023-05-06","10:44:01",""
"2244221","6.1847","0.0004","7.2575","0.0005","8.1795","0.0005","101.327","0.011","91.723","0.011","113.563","0.011","327.56","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Dipotassium dilithium copper(II) tris(oxalate) dihydrate","Poly[dipotassium [tri-μ-oxalatocopper(II)dilithium] dihydrate]","","- C6 H4 Cu K2 Li2 O14 -","- C6 H4 Cu K2 Li2 O14 -","- C6 H4 Cu K2 Li2 O14 -","1","0.5","WM5668","Clulow, Rebecca; Lightfoot, Philip","Syntheses and crystal structures of three novel oxalate coordination compounds: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","267","271","10.1107/S2056989023001822","","","0.71075","MoKα","","0.0591","0.0447","","","0.1113","0.1144","","","","","","0.935","","","","has coordinates,has Fobs","283575","2023-05-06","10:44:01",""
"2244222","22.7715","0.0019","17.2794","0.0015","25.64","0.003","90","","112.297","0.001","90","","9334.4","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(5<i>E</i>,5'<i>E</i>,6<i>Z</i>,6'<i>Z</i>)-6,6'-[Ethane-1,2-diylbis(azanylylidene)]bis{5-[2-(4-fluorophenyl)hydrazono]-3,3-dimethylcyclohexanone} 2.5-hydrate","","- C30 H39 F2 N6 O4.5 -","- C30 H39 F2 N6 O4.5 -","- C360 H468 F24 N72 O54 -","12","1.5","ZV2022","Kurbanova, Malahat Musrat; Faizi, Md Serajul Haque; Cinar, Emine Berrin; Jamal, Asif; Çemberci, Mustafa; Sadigova, Arzu; Askerov, Rizvan; Dege, Necmi; Nabi, Tahera","Crystal structure, Hirshfeld surface analysis and DFT study of (5<i>E</i>,5'<i>E</i>,6<i>Z</i>,6'<i>Z</i>)-6,6'-[ethane-1,2-diyl-bis(aza-nylyl-idene)]bis-{5-[2-(4-fluoro-phen-yl)hydra-zono]-3,3-di-methyl-cyclo-hexa-none} 2.5-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","297","301","10.1107/S2056989023001895","","","0.71073","MoKα","","0.1345","0.0584","","","0.1482","0.1925","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","283576","2023-05-06","10:44:12",""
"2244223","8.3881","0.0004","24.3653","0.0009","9.2614","0.0005","90","","107.724","0.004","90","","1802.99","0.15","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C80 H92 N12 O8 -","4","1","PK2679","Herbig, Marcus; Böhme, Uwe","Two polymorphs of <i>N</i>,<i>N</i>'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","308","312","10.1107/S2056989023002141","","","0.71073","MoKα","","0.0742","0.0514","","","0.1119","0.1291","","","","","","1.153","","","","has coordinates,has Fobs","283580","2023-05-06","10:45:34",""
"2244224","27.7071","0.0011","27.7071","0.0011","9.4575","0.0004","90","","90","","90","","7260.4","0.5","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","<i>N</i>,<i>N</i>'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C320 H368 N48 O32 -","16","1","PK2679","Herbig, Marcus; Böhme, Uwe","Two polymorphs of <i>N</i>,<i>N</i>'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","308","312","10.1107/S2056989023002141","","","0.71073","MoKα","","0.0851","0.0516","","","0.1113","0.1321","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","283580","2023-05-06","10:45:35",""
"2244225","23.282","0.006","5.1926","0.0001","17.738","0.005","90","","117.974","0.004","90","","1893.9","0.7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[(2-amino-3-methylpyridine)-μ~3~-phosphonato-zinc] hemihydrate]","","- C12 H20 N4 O7 P2 Zn2 -","- C12 H20 N4 O7 P2 Zn2 -","- C48 H80 N16 O28 P8 Zn8 -","4","0.5","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0179","0.0171","","","0.0474","0.0477","","","","","","1.041","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:03",""
"2244226","22.873","0.006","12.307","0.003","16.633","0.004","90","","128.954","0.005","90","","3641.1","1.6","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(2-amino-4-methylpyridine)-μ~3~-phosphonato-zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C96 H144 N32 O48 P16 Zn16 -","16","2","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0176","0.0171","","","0.049","0.0492","","","","","","1.048","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244227","5.1487","0.0009","8.5316","0.0019","20.371","0.005","90","","90","","90","","894.8","0.3","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[(2-amino-5-methylpyridine)-μ~3~-phosphonato-zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C24 H36 N8 O12 P4 Zn4 -","4","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0216","0.021","","","0.051","0.0511","","","","","","1.007","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244228","9.03805","0.00013","9.36837","0.00013","15.0207","0.0002","81.0313","0.0001","88.0646","0.0001","80.0782","0.0001","1237.46","0.03","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","Poly[bis(2-amino-4-methylpyridinium) [tetra-μ~3~-phosphonato-trizinc] monohydrate]","","- C12 H24 N4 O13 P4 Zn3 -","- C12 H24 N4 O13 P4 Zn3 -","- C24 H48 N8 O26 P8 Zn6 -","2","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","1.54184","CuKα","","0.0311","0.0308","","","0.0846","0.0847","","","","","","1.104","","","","has coordinates","283587","2023-05-06","10:47:04",""
"2244229","6.9541","0.0008","8.7092","0.0009","16.293","0.003","83.239","0.011","80.167","0.01","72.049","0.009","922.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl4 N4 O Zn -","- C12 H20 Cl4 N4 O Zn -","- C24 H40 Cl8 N8 O2 Zn2 -","2","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.049","0.0469","","","0.11","0.111","","","","","","1.08","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244230","8.8187","0.0004","9.6963","0.0004","12.3804","0.0006","100.099","0.002","97.556","0.002","109.858","0.002","959.16","0.08","297","2","297","2","","","","","","","","5","P -1","-P 1","2","Nadifloxacin–oxalic acid (2/1)","9-Fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline-2-carboxylic acid–oxalic acid (2/1)","","- C20 H22 F N2 O6 -","- C20 H22 F N2 O6 -","- C40 H44 F2 N4 O12 -","2","1","MW2196","Karthammaiah, Geethanjali N.; Rao Amaraneni, Sreenivasa; Solomon, Anand K.","Co-crystal of nadifloxacin with oxalic acid.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","319","322","10.1107/S2056989023002244","","","0.71073","MoKα","","0.0775","0.0623","","","0.1845","0.2036","","","","","","1.069","","","","has coordinates,has Fobs","283591","2023-05-06","10:47:53",""
"2244231","11.9096","0.0001","5.5836","0.0001","16.8121","0.0002","90","","105.356","0.001","90","","1078.07","0.03","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-(3-Hydroxyphenyl)-1-(1<i>H</i>-pyrrol-2-yl)prop-2-en-1-one hemihydrate","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C52 H48 N4 O10 -","2","0.5","YZ2023","Ismail, Ahmad Zaidi; Gunasekharan, Mohanapriya; Karunakaran, Thiruventhan; Mohd Faudzi, Siti Munirah","Crystal structure and Hirshfeld surface analysis of 3-(3-hy-droxy-phen-yl)-1-(1<i>H</i>-pyrrol-2-yl)prop-2-en-1-one hemihydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","287","291","10.1107/S2056989023001925","","","1.54184","CuKα","","0.0364","0.0344","","","0.0926","0.0947","","","","","","1.04","","","","has coordinates,has Fobs","283592","2023-05-06","10:48:00",""
"2244232","6.9503","0.0014","10.585","0.002","24.975","0.005","90","","90","","90","","1837.4","0.6","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(4-Ethylphenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-[(4-Ethylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0393","0.0376","","","0.0924","0.0937","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","283593","2023-05-06","10:48:18",""
"2244233","7.1374","0.0014","11.448","0.002","20.844","0.004","90","","90","","90","","1703.1","0.6","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(4-chlorophenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-[(4-chlorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one","","- C17 H17 Cl N2 O3 S -","- C17 H17 Cl N2 O3 S -","- C68 H68 Cl4 N8 O12 S4 -","4","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0303","0.0296","","","0.0777","0.0784","","","","","","1.05","","","","has coordinates,has Fobs","283593","2023-05-06","10:48:19",""
"2244234","11.04","0.002","6.2621","0.0013","12.424","0.003","90","","94.03","0.03","90","","856.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(3-nitrophenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-((3-nitrophenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one","","- C17 H17 N3 O5 S -","- C17 H17 N3 O5 S -","- C34 H34 N6 O10 S2 -","2","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0404","0.0394","","","0.112","0.1136","","","","","","1.043","","","","has coordinates,has Fobs","283593","2023-05-06","10:48:19",""
"2244235","9.8201","0.0009","9.0067","0.0007","26.995","0.002","90","","90","","90","","2387.6","0.3","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzyloxyindole","4-Phenoxy-1<i>H</i>-indole","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0543","0.0453","","","0.1041","0.1102","","","","","","1.11","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244236","16.423","0.0013","6.5609","0.0004","33.469","0.002","90","","90","","90","","3606.3","0.4","300","2","300.15","","","","","","","","","4","P n a 21","P 2c -2n","33","<i>N</i>-Isopropyl-4-benzyloxy-3-indoleglyoxylamide","2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]-2-oxo-<i>N</i>-(propan-2-yl)acetamide","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","2","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0612","0.0461","","","0.1074","0.1172","","","","","","1.039","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244237","10.1895","0.0009","10.9117","0.0007","17.6887","0.0014","86.798","0.003","79.34","0.003","87.587","0.003","1928.7","0.3","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","4-Benzyloxy-<i>N</i>-isopropyltryptammonium chloride","{2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]ethyl}(propan-2-yl)azanium chloride","","- C20 H25 Cl N2 O -","- C20 H25 Cl N2 O -","- C80 H100 Cl4 N8 O4 -","4","2","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0584","0.0406","","","0.1","0.1133","","","","","","1.015","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244238","8.4065","0.0005","14.3944","0.0009","19.8501","0.001","90","","90","","90","","2402","0.2","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hydroxy-<i>N</i>-isopropyltryptamine","3-[2-(Propan-2-ylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C104 H144 N16 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0537","0.0453","","","0.1097","0.1156","","","","","","1.075","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244239","8.7763","0.0002","9.4409","0.0003","21.2951","0.0006","96.762","0.001","92.198","0.001","90.552","0.001","1750.69","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-Bromo-2,2-bis(bromomethyl)propan-1-ol","","- C20 H36 Br12 O4 -","- C20 H36 Br12 O4 -","- C40 H72 Br24 O8 -","2","1","VM2278","Wappelhorst, Jan Frederick; Wattenberg, Jonathan; Strohmann, Carsten","Crystal structure of trimeth-yl({tris-[(phenyl-sulfan-yl)meth-yl]sil-yl}meth-oxy)silane and Hirshfeld surface analysis of 3-bromo-2,2-bis-(bromo-meth-yl)propan-1-ol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","323","327","10.1107/S205698902300227X","","x-ray","0.71073","MoKα","","0.0339","0.0266","","","0.0655","0.0685","","","","","","1.022","","","","has coordinates,has Fobs","283588","2023-05-06","10:47:17",""
"2244240","27.0415","0.0012","6.9329","0.0003","27.7963","0.0014","90","","96.939","0.002","90","","5173","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trimethyl({tris[(phenylsulfanyl)methyl]silyl}methoxy)silane","","- C26 H32 O S3 Si -","- C26 H32 O S3 Si -","- C208 H256 O8 S24 Si8 -","8","1","VM2278","Wappelhorst, Jan Frederick; Wattenberg, Jonathan; Strohmann, Carsten","Crystal structure of trimeth-yl({tris-[(phenyl-sulfan-yl)meth-yl]sil-yl}meth-oxy)silane and Hirshfeld surface analysis of 3-bromo-2,2-bis-(bromo-meth-yl)propan-1-ol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","323","327","10.1107/S205698902300227X","","x-ray","0.71073","MoKα","","0.0424","0.0319","","","0.0711","0.0773","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283588","2023-05-06","10:47:17",""
"2244241","6.9611","0.0003","11.9737","0.0005","12.0697","0.0004","65.618","0.004","78.588","0.003","74.826","0.004","879.72","0.07","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-Butyl 3,6-diiodocarbazole-9-carboxylate","","- C17 H15 I2 N O2 -","- C17 H15 I2 N O2 -","- C34 H30 I4 N2 O4 -","2","1","WM5676","Sielaff, Elizabeth N.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of <i>tert</i>-butyl 3,6-di-iodo-carbazole-9-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","345","348","10.1107/S205698902300230X","","x-ray","1.54184","CuKα","","0.0391","0.0329","","","0.0869","0.0899","","","","","","1.08","","","","has coordinates,has Fobs","283595","2023-05-06","10:48:49",""
"2244242","10.85636","0.00013","9.1857","0.0001","13.31001","0.00016","90","","98.7757","0.0012","90","","1311.78","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","YZ2030","Hebishy, Ali M. S.; Elgemeie, Galal H.; Gouda, Lobna M.; Jones, Peter G.","Crystal structures of three homologues with increasing ring size: 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-quinoline-3-carbo-nitrile, 2-meth-oxy-4-(thio-phen-2-yl)-6,7,8,9-tetra-hydro-5<i>H</i>-cyclo-hepta-[<i>b</i>]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[<i>b</i>]pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","335","340","10.1107/S2056989023001883","","x-ray","1.54184","CuKα","","0.0272","0.0263","","","0.0708","0.0714","","","","","","1.068","","","","has coordinates,has Fobs","283597","2023-05-06","10:49:19",""
"2244243","8.68561","0.00017","13.7435","0.0002","12.0379","0.0002","90","","99.9254","0.0018","90","","1415.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","YZ2030","Hebishy, Ali M. S.; Elgemeie, Galal H.; Gouda, Lobna M.; Jones, Peter G.","Crystal structures of three homologues with increasing ring size: 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-quinoline-3-carbo-nitrile, 2-meth-oxy-4-(thio-phen-2-yl)-6,7,8,9-tetra-hydro-5<i>H</i>-cyclo-hepta-[<i>b</i>]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[<i>b</i>]pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","335","340","10.1107/S2056989023001883","","x-ray","1.54184","CuKα","","0.0294","0.0285","","","0.0758","0.0765","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","283597","2023-05-06","10:49:20",""
"2244244","9.87736","0.00014","12.51312","0.00019","12.53915","0.00019","90","","102.986","0.0014","90","","1510.16","0.04","100","2","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-(thiophen-2-yl)-5,6,7,8,9,10-hexahydro-cycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C17 H18 N2 O S -","- C17 H18 N2 O S -","- C68 H72 N8 O4 S4 -","4","1","YZ2030","Hebishy, Ali M. S.; Elgemeie, Galal H.; Gouda, Lobna M.; Jones, Peter G.","Crystal structures of three homologues with increasing ring size: 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-quinoline-3-carbo-nitrile, 2-meth-oxy-4-(thio-phen-2-yl)-6,7,8,9-tetra-hydro-5<i>H</i>-cyclo-hepta-[<i>b</i>]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[<i>b</i>]pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","335","340","10.1107/S2056989023001883","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0902","0.091","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","283597","2023-05-06","10:49:20",""
"2244245","10.0699","0.0006","14.7429","0.0006","10.5212","0.0007","90","","113.9","0.007","90","","1428.04","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide","","- C13 H13 N3 O3 S -","- C13 H13 N3 O3 S -","- C52 H52 N12 O12 S4 -","4","1","YZ2029","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Azzam, Rasha A.","Synthesis and crystal structure of <i>N</i>-(5-acetyl-4-methyl-pyrimidin-2-yl)benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","331","334","10.1107/S2056989023001871","","","0.71073","MoKα","","0.0689","0.0459","","","0.1093","0.1251","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","283599","2023-05-06","10:49:47",""
"2300695","6.676","0.004","7.531","0.004","13.279","0.007","90","","90","","90","","667.6","0.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng","Growth and characterization of large centimetre-size levoglucosan single crystals","Journal of Applied Crystallography","2023","56","2","468","476","10.1107/S1600576723001371","","","0.71073","MoKα","","0.0534","0.0384","","","0.0872","0.0947","","","","","","1.048","","","","has coordinates,has Fobs","282411","2023-04-05","11:30:37",""
"2300696","6.6601","0.0017","7.5006","0.0019","13.26","0.003","90","","90","","90","","662.4","0.3","246","2","246.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng","Growth and characterization of large centimetre-size levoglucosan single crystals","Journal of Applied Crystallography","2023","56","2","468","476","10.1107/S1600576723001371","","","0.71073","MoKα","","0.0365","0.0308","","","0.0655","0.0683","","","","","","1.039","","","","has coordinates,has Fobs","282411","2023-04-05","11:30:38",""
"2300697","6.6457","0.0018","7.476","0.002","13.26","0.004","90","","90","","90","","658.8","0.3","198","2","197.65","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng","Growth and characterization of large centimetre-size levoglucosan single crystals","Journal of Applied Crystallography","2023","56","2","468","476","10.1107/S1600576723001371","","","0.71073","MoKα","","0.0369","0.0315","","","0.0722","0.0751","","","","","","1.103","","","","has coordinates,has Fobs","282411","2023-04-05","11:30:38",""
"2300698","3.9277","0.0001","13.0981","0.0005","3.8808","0.0001","90","","90","","90","","199.649","0.011","296.9","0.7","296.9","","","","","","","","","4","I m m m","-I 2 2","71","","","","- B Bi4 Cl O7 -","- B Bi4 Cl O7 -","- B Bi4 Cl O7 -","1","0.0625","","Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey","When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides","Journal of Applied Crystallography","2023","56","3","589","596","10.1107/S1600576723002261","","x-ray","0.71073","MoKα","","0.0848","0.0664","","","0.088","0.0901","","","","4.96","4.96","4.08","","","","has coordinates,has Fobs","284391","2023-06-06","05:37:31",""
"2300699","3.9345","0.0002","13.2499","0.0005","3.9182","0.0002","90","","90","","90","","204.263","0.017","297.7","0.9","297.7","","","","","","","","","4","I m m m","-I 2 2","71","","","","- B Bi4 Br O7 -","- B Bi4 Br O7 -","- B Bi4 Br O7 -","1","0.0625","","Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey","When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides","Journal of Applied Crystallography","2023","56","3","589","596","10.1107/S1600576723002261","","x-ray","0.71073","MoKα","","0.086","0.0476","","","0.0551","0.0634","","","","2.6","2.6","2.22","","","","has coordinates,has Fobs","284391","2023-06-06","05:37:34",""
"2300700","12.0252","0.0013","11.9873","0.0014","6.8715","0.0006","90","","90","","90","","990.52","0.18","293","","293","","","","100","","","","","4","P b c a","-P 2ac 2ab","61","Barium Zinc Carbodiimide","","","- C2 Ba N4 Zn -","- C2 Ba N4 Zn -","- C16 Ba8 N32 Zn8 -","8","1","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.09857","","0.99999","","0.043","","","","","","","has coordinates","285062","2023-07-06","18:22:13",""
"2300701","11.9532","0.0012","11.9452","0.0012","6.8555","0.0006","90","","90","","90","","978.85","0.16","293","","293","","","","100","","","","","4","P b c a","-P 2ac 2ab","61","Barium Zinc Carbodiimide","","","- C2 Ba N4 Zn -","- C2 Ba N4 Zn -","- C16 Ba8 N32 Zn8 -","8","1","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.01739","","0.02907","","1.711","","","","","","","has coordinates","285062","2023-07-06","18:22:14",""
"2300702","3.566636","0.000007","3.566636","0.000007","3.566636","0.000007","90","","90","","90","","45.3708","0.00015","293","","293","","","","100","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","Diamond","Carbon","","- C -","- C -","- C8 -","8","0.0416667","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.11027","","1","","0.166","","","","","","","has coordinates","285062","2023-07-06","18:22:14",""
"2300703","3.571622","0.000025","3.571622","0.000025","3.571622","0.000025","90","","90","","90","","45.5613","0.0006","293","","293","","","","100","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","Diamond","Carbon","","- C -","- C -","- C8 -","8","0.0416667","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.04851","","0.04463","","14.568","","","","","","","has coordinates","285062","2023-07-06","18:22:14",""
"2300704","4.193","","4.193","","6.752","","90","","90","","120","","102.805","","300","","300","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.0833333","","Hamilton, Parker K.; Moya, Jaime M.; Hallas, Alannah M.; Morosan, E.; Baral, Raju; Frandsen, Benjamin A.","Symmetry-mode analysis for local structure investigations using pair distribution function data","Journal of Applied Crystallography","2023","56","4","","","10.1107/S1600576723005794","powder diffraction","","1.242","neutrons","","","","","","","","","0.147","","","","","","","","has coordinates","285348","2023-07-26","02:03:25",""
"2300710","4.9325","0.0012","6.8773","0.0016","22.462","0.005","84.728","0.004","84.78","0.004","86.014","0.004","754.2","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N16 O20 -","- C20 H14 N16 O20 -","- C20 H14 N16 O20 -","1","0.5","","Wang, Zhiqiang; Xu, Jinjiang; Zhao, Zhi; Zhang, Zhenqi; Tong, Yi","A novel energetic cocrystal of DATNBI/TNT with low sensitivity and an unexpected polymorphic transition","Journal of Applied Crystallography","2023","56","5","","","10.1107/S160057672300729X","","","0.71073","MoKα","","0.1291","0.0782","","","0.2205","0.2874","","","","","","0.95","","","","has coordinates,has Fobs","285966","2023-09-02","02:06:41",""
"2300711","5.86","0.002","8.933","0.002","18.341","0.003","90","","90","","90","","960.1","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","NB5353","Graw, Nico; Ruth, Paul Niklas; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation.","Journal of applied crystallography","2023","56","Pt 5","1315","1321","10.1107/S1600576723007203","","","0.5134","InKα","","0.01","0.01","","","","0.014","","","","","","1.15","","","","has coordinates","286840","2023-10-06","23:59:32",""
"2300712","3.383","0.002","4.373","0.002","11.991","0.003","90","","90","","90","","177.39","0.14","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","NB5354","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0097","0.0096","","","0.0259","0.026","","","","","","1.233","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300713","3.383","0.002","4.37","0.002","11.982","0.003","90","","90","","90","","177.14","0.14","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0134","0.0133","","","0.0371","0.0371","","","","","","1.165","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300714","12.976","0.002","7.521","0.002","9.702","0.003","90","","116.4","0.02","90","","848.1","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Pt9 Sc2 Si3 -","- Pt9 Sc2 Si3 -","- Pt36 Sc8 Si12 -","4","0.5","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0304","0.0261","","","0.0565","0.0576","","","","","","1.086","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300715","12.958","0.003","7.52","0.002","9.711","0.002","90","","116.47","0.02","90","","847.1","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Pt9 Sc2 Si3 -","- Pt9 Sc2 Si3 -","- Pt36 Sc8 Si12 -","4","0.5","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0272","0.0221","","","0.0475","0.0488","","","","","","1.055","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300716","8.441","0.002","10.569","0.002","13.799","0.003","90","","90","","90","","1231","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0192","0.0165","","","0.0332","0.0337","","","","","","1.261","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300717","8.434","0.002","10.553","0.002","13.792","0.003","90","","90","","90","","1227.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0228","0.02","","","0.0449","0.0456","","","","","","1.273","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300718","5.789","0.002","5.958","0.002","12.286","0.003","90","","90","","90","","423.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0334","0.0301","","","0.0737","0.0751","","","","","","1.081","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300719","5.784","0.002","5.953","0.002","12.272","0.003","90","","90","","90","","422.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0329","0.0307","","","0.0779","0.0792","","","","","","1.109","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300720","5.854","0.002","8.929","0.002","18.328","0.003","90","","90","","90","","958","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.56086","AgKα","","0.0111","0.0095","","","0.0124","0.0125","","","","","","1.07","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300721","5.86","0.002","8.933","0.002","18.341","0.003","90","","90","","90","","960.1","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.009","0.0079","","","0.0124","0.0124","","","","","","1.02","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300722","5.85","0.002","8.924","0.002","18.321","0.003","90","","90","","90","","956.5","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0134","0.0116","","","0.0167","0.0168","","","","","","1.185","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300723","5.854","0.002","8.929","0.002","18.328","0.003","90","","90","","90","","958","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.56086","AgKα","","0.011","0.011","","","","0.013","","","","","","1.115","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300724","5.86","0.002","8.933","0.002","18.341","0.003","90","","90","","90","","960.1","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.01","0.01","","","","0.014","","","","","","1.15","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300725","5.85","0.002","8.924","0.002","18.321","0.003","90","","90","","90","","956.5","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.014","0.014","","","","0.018","","","","","","1.288","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2312035","16.288","0.008","5.79","0.004","10.546","0.009","90","","104.77","0.03","90","","961.7","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrafluoro-3,6-diiodobenzene bis(pyridin-1-ium-4-ylsulfanide)","","- C16 H10 F4 I2 N2 S2 -","- C16 H10 F4 I2 N2 S2 -","- C32 H20 F8 I4 N4 S4 -","2","0.5","QZ3003","Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar","Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","112","117","10.1107/S205322962300205X","","x-ray","0.71073","MoKα","","0.0693","0.0319","","","0.0612","0.0694","","","","","","0.934","","","","has coordinates","283573","2023-05-06","10:43:35",""
"2312036","8.0815","0.0004","17.2161","0.0005","18.9254","0.0012","90","","90","","90","","2633.1","0.2","200","2","200","2","","","","","","","synthesis as described","5","F 2 d d","F -2d 2","43","","4,4'-[Methanediyldi(sulfanediyl)]dipyridinium dichloride","","- C11 H12 Cl2 N2 S2 -","- C11 H12 Cl2 N2 S2 -","- C88 H96 Cl16 N16 S16 -","8","0.5","QZ3003","Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar","Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","112","117","10.1107/S205322962300205X","","x-ray","0.71073","MoKα","","0.0569","0.0408","","","0.0914","0.1007","","","","","","1.096","","","","has coordinates","283573","2023-05-06","10:43:35",""
"2312037","15.1427","0.001","8.9369","0.001","26.143","0.002","90","","98.304","0.002","90","","3500.8","0.5","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(η^5^-cyclopentadienyl)(fluorodimethylsilyl)hydrido(iododimethylsilyl)niobium","","- C14 H23 F I Nb Si2 -","- C14 H23 F I Nb Si2 -","- C112 H184 F8 I8 Nb8 Si16 -","8","1","OV3168","Rodriguez, Sara M.; Motta, Ysidro N.; Hill, Michael R.; Oelke, Laura M.; Carter, Carly C.; Cundari, Thomas R.; Yousufuddin, Muhammed","Crystal structure and DFT calculations of Cp<sub>2</sub>NbH(SiIMe<sub>2</sub>)(SiFMe<sub>2</sub>): an asymmetric bis(silyl) niobocene hydride complex.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","158","163","10.1107/S2053229623002395","","","0.71073","MoKα","","0.0334","0.0286","","","0.0677","0.0693","","","","","","1.024","","","","has coordinates,has Fobs","282396","2023-04-05","10:55:12",""
"2312038","8.0549","0.0005","9.8811","0.0006","13.7189","0.0008","106.451","0.001","103.271","0.001","91.482","0.001","1014.4","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[μ-6,11-Dimethyl-7,10-diazahexadeca-5,11-diene-2,4,13,15-tetraolato(4-)-1κ^4^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^13^,<i>O</i>^15^:2κ^4^<i>N</i>^7^,<i>N</i>^10^,<i>O</i>^4^,<i>O</i>^13^](pyridine-1κ<i>N</i>)dicopper(II)","","- C21 H25 Cu2 N3 O4 -","- C21 H25 Cu2 N3 O4 -","- C42 H50 Cu4 N6 O8 -","2","1","DG3038","Ranaweera, Samantha A.; Donnadieu, Bruno; Henry, William P.; White, Mark G.","Effects of electron-donating ability of binding sites on coordination number: the interactions of a cyclic Schiff base with copper ions.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","142","148","10.1107/S2053229623002280","","","0.71073","MoKα","","0.0233","0.0205","","","0.054","0.0554","","","","","","1.045","","","","has coordinates,has Fobs","282397","2023-04-05","10:55:51",""
"2312039","23.8353","0.0008","6.8067","0.0002","16.6103","0.0005","90","","109.104","0.003","90","","2546.43","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C116 H72 F16 N16 O16 -","4","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","x-ray","0.71073","MoKα","","0.0791","0.0532","","","0.1328","0.1467","","","","","","1.021","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312040","13.131","0.004","14.423","0.004","26.523","0.007","90","","90","","90","","5023","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C232 H144 F32 N32 O32 -","8","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","","0.71073","MoKα","","0.0836","0.056","","","0.1357","0.154","","","","","","1.027","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312041","7.0784","0.0003","13.3979","0.0005","22.009","0.0012","90","","98.359","0.005","90","","2065.07","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ba O16 -","- C18 H18 Ba O16 -","- C72 H72 Ba4 O64 -","4","1","BM5151","Safari, Manije; Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","Efficient modulation of a barium metal-organic framework using amino acids.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","114","121","10.1107/S2052520623001105","","","0.71073","MoKα","","0.0863","0.0456","","","0.0828","0.0932","","","","","","1.001","","","","has coordinates,has Fobs","282414","2023-04-05","15:27:42",""
"2312042","7.2781","0.0003","13.4581","0.0004","22.4129","0.0006","90","","90","","90","","2195.33","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Ba O16 -","- C18 H18 Ba O16 -","- C72 H72 Ba4 O64 -","4","1","","Safari, Manije; Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","Efficient modulation of a barium metal-organic framework using amino acids.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","114","121","10.1107/S2052520623001105","","","0.71073","MoKα","","0.0733","0.0613","","","0.1256","0.1322","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","282414","2023-04-05","15:27:42",""
"2312043","6.1037","0.0004","9.3345","0.0007","10.4146","0.0007","83.039","0.001","77.139","0.009","85.055","0.001","573.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","1","0.5","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71075","MoKα","","0.0671","0.0527","","","0.1431","0.1516","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:34",""
"2312044","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C104 H80 Cl8 N16 -","4","1","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0703","0.0465","","","0.1076","0.1228","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312045","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26.0104 H20.008 Cl2.0008 N4.0016 -","- C104.042 H80.032 Cl8.0032 N16.0064 -","4","0.5","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0827","0.055","","","0.1238","0.1405","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312046","12.6112","0.0006","8.6352","0.0004","17.308","0.0008","90","","105.925","0.002","90","","1812.51","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Bis[(<i>E</i>)-styryl]quinoline","2,4-Bis[(<i>E</i>)-2-phenylethenyl]quinoline","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0649","0.0499","","","0.1092","0.1175","","","","","","1.089","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312047","28.495","0.0007","9.5384","0.0003","16.052","0.0005","90","","118.581","0.001","90","","3831.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-[(<i>E</i>)-2,4-Dichlorostyryl]-4-[(<i>E</i>)-styryl]quinoline","2-[(<i>E</i>)-2-(2,4-Dichlorophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinoline","","- C25 H17 Cl2 N -","- C25 H17 Cl2 N -","- C200 H136 Cl16 N8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0388","0.0322","","","0.0744","0.0778","","","","","","1.087","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312048","12.287","0.002","15.528","0.003","12.844","0.003","90","","99.877","0.006","90","","2414.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-styryl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinolin-3-yl}(phenyl)methanone","","- C32 H22 Br N O -","- C32 H22 Br N O -","- C128 H88 Br4 N4 O4 -","4","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0857","0.0638","","","0.1803","0.1961","","","","","","1.045","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312049","9.9051","0.0012","11.3936","0.0016","11.8192","0.0016","77.727","0.005","76.116","0.005","86.448","0.005","1265.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-4-chlorostyryl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(4-chlorophenyl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C32 H21 Br Cl N O -","- C32 H21 Br Cl N O -","- C64 H42 Br2 Cl2 N2 O2 -","2","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0373","0.0281","","","0.0611","0.0651","","","","","","1.034","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:06",""
"2312050","15.5785","0.0008","16.4215","0.0007","18.3126","0.0009","90","","90","","90","","4684.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-2-(thiophen-2-yl)vinyl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C30 H20 Br N O S -","- C30 H20 Br N O S -","- C240 H160 Br8 N8 O8 S8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0526","0.0401","","","0.0935","0.1012","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","282416","2023-04-05","15:37:06",""
"2312051","8.6965","0.0003","8.7974","0.0004","9.5574","0.0004","88.6165","0.0017","79.3644","0.0016","73.0017","0.0015","686.9","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis({(<i>E</i>)-5-(ethylamino)-4-methyl-2-[(pyridin-2-\ yl)diazenyl]phenolato}copper(II))","","- C28 H30 Cl2 Cu2 N8 O2 -","- C28 H30 Cl2 Cu2 N8 O2 -","- C28 H30 Cl2 Cu2 N8 O2 -","1","0.5","ZV2019","Meier, Alex; Mian, Mohammad Rasel; Ou, Siyu; Lovell, Scott; Mure, Minae","Crystal structures of di-μ-chlorido-bis-({(<i>E</i>)-5-(ethyl-amino)-4-methyl-2-[(pyridin-2-yl)diazen-yl]phen-o-lato}copper(II)) and chlorido-bis-(1,10-phen-anthroline)copper(II) chloride tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","201","206","10.1107/S205698902300138X","","","0.71073","MoKα","","0.0474","0.035","","","0.0822","0.09","","","","","","1.025","","","","has coordinates,has Fobs","282417","2023-04-05","15:59:24",""
"2312052","23.1874","0.0007","30.2708","0.0009","7.2839","0.0002","90","","97.235","0.001","90","","5071.9","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chloridobis(1,10-phenanthroline)copper(II) chloride tetrahydrate","","- C24 H24 Cl2 Cu N4 O4 -","- C24 H18 Cl2 Cu N4 O4.05 -","- C192 H144 Cl16 Cu8 N32 O32.4 -","8","1","ZV2019","Meier, Alex; Mian, Mohammad Rasel; Ou, Siyu; Lovell, Scott; Mure, Minae","Crystal structures of di-μ-chlorido-bis-({(<i>E</i>)-5-(ethyl-amino)-4-methyl-2-[(pyridin-2-yl)diazen-yl]phen-o-lato}copper(II)) and chlorido-bis-(1,10-phen-anthroline)copper(II) chloride tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","201","206","10.1107/S205698902300138X","","","0.71073","MoKα","","0.0471","0.0451","","","0.128","0.1296","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","282417","2023-04-05","15:59:25",""
"2312053","6.8584","0.0019","25.487","0.007","19.008","0.005","90","","94.669","0.007","90","","3311.6","1.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Diphenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazine-1,1,4-trione","","- C19 H14 N2 O3 S -","- C19 H14 N2 O3 S -","- C152 H112 N16 O24 S8 -","8","2","","Yennawar, Hemant P.; Mal, Tapas K.; Pacheco, Carlos N.; Lagalante, Anthony F.; Olsen, Mark A.; Russell, Michael W.; Muench, Grace C.; Moyer, Quentin J.; Silverberg, Lee J.","Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","221","225","10.1107/S2056989023001524","","","0.71073","MoKα","","0.0773","0.051","","","0.1226","0.1382","","","","","","1.035","","","","has coordinates,has Fobs","282418","2023-04-05","16:00:26",""
"2312054","6.853","0.0006","25.7472","0.0015","19.024","0.0012","90","","97.394","0.007","90","","3328.8","0.4","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazine-1,1,4-trione","","- C20 H15 N O3 S -","- C20 H15 N O3 S -","- C160 H120 N8 O24 S8 -","8","2","","Yennawar, Hemant P.; Mal, Tapas K.; Pacheco, Carlos N.; Lagalante, Anthony F.; Olsen, Mark A.; Russell, Michael W.; Muench, Grace C.; Moyer, Quentin J.; Silverberg, Lee J.","Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","221","225","10.1107/S2056989023001524","","x-ray","1.54184","CuKα","","0.1275","0.0916","","","0.2487","0.2997","","","","","","1.098","","","","has coordinates,has Fobs","282418","2023-04-05","16:00:29",""
"2312055","9.221","0.0005","12.1902","0.0008","13.4982","0.0007","94.413","0.005","95.172","0.004","111.561","0.005","1395.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±,E)-<i>N</i>'-[5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-ylidene]-2-(naphthalen-1-yl)acetohydrazide ethyl acetate monosolvate","","- C31 H30 N2 O7 -","- C31 H30 N2 O7 -","- C62 H60 N4 O14 -","2","1","JY2026","Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora","Crystal structures of three newly synthesized flavanone hydrazones.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","236","240","10.1107/S2056989023001184","","x-ray","1.54184","CuKα","","0.0908","0.0615","","","0.1799","0.2115","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","282419","2023-04-05","16:01:26",""
"2312056","10.0964","0.0009","10.157","0.0008","12.3628","0.001","84.557","0.007","68.169","0.008","82.529","0.007","1165.39","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±,E)-<i>N</i>'-[5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-ylidene]-4-hydroxybenzohydrazide ethanol monosolvate","","- C24 H24 N2 O7 -","- C24 H24 N2 O7 -","- C48 H48 N4 O14 -","2","1","JY2026","Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora","Crystal structures of three newly synthesized flavanone hydrazones.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","236","240","10.1107/S2056989023001184","","x-ray","1.54184","CuKα","","0.1186","0.0855","","","0.2521","0.3006","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","282419","2023-04-05","16:01:26",""
"2312057","5.0681","0.0006","13.4993","0.0015","17.1144","0.0018","74.392","0.009","86.34","0.01","88.416","0.01","1125.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±,E)-<i>N</i>'-(6-Methoxy-2-phenylchroman-4-ylidene)-2-(naphthalen-1-yloxy)-acetohydrazide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C56 H48 N4 O8 -","2","1","JY2026","Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora","Crystal structures of three newly synthesized flavanone hydrazones.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","236","240","10.1107/S2056989023001184","","x-ray","1.54184","CuKα","","0.1618","0.077","","","0.2043","0.2852","","","","","","0.988","","","","has coordinates,has Fobs","282419","2023-04-05","16:01:27",""
"2312058","23.0774","0.0011","12.5622","0.0005","3.8498","0.0002","90","","90","","90","","1116.07","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>S</i>-(Pyridin-2-yl) 4-nitrobenzothioate","","- C12 H8 N2 O3 S -","- C12 H8 N2 O3 S -","- C48 H32 N8 O12 S4 -","4","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","1.54178","CuKα","","0.0457","0.0434","","","0.1198","0.1215","","","","","","1.035","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:37",""
"2312059","7.1775","0.0002","9.1492","0.0003","9.2832","0.0003","101.297","0.0014","108.463","0.0013","92.5673","0.0014","563.28","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>S</i>-(Pyridin-2-yl) 4-methylbenzothioate","","- C13 H11 N O S -","- C13 H11 N O S -","- C26 H22 N2 O2 S2 -","2","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","1.54178","CuKα","","0.0436","0.0419","","","0.1232","0.126","","","","","","1.122","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:38",""
"2312060","16.4043","0.0006","5.4939","0.0002","13.0741","0.0004","90","","103.175","0.0014","90","","1147.27","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>S</i>-(Pyridin-2-yl) 4-methoxybenzothioate","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","0.71073","MoKα","","0.0492","0.0355","","","0.0807","0.0886","","","","","","1.033","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:38",""
"2312061","7.7329","0.0003","8.2536","0.0003","19.2301","0.0007","90","","90","","90","","1227.35","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(2-Methoxyphenoxy)phthalonitrile","4-(2-Methoxyphenoxy)benzene-1,2-dicarbonitrile","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","YZ2027","Erzunov, Dmitry; Rassolova, Anastasia; Rumyantsev, Roman; Maizlish, Vladimir; Tikhomirova, Tatiana; Vashurin, Arthur","Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","172","176","10.1107/S2056989023000518","","","0.71073","MoKα","","0.059","0.0449","","","0.0889","0.0949","","","","","","1.085","","","","has coordinates,has Fobs","282421","2023-04-05","16:03:22",""
"2312062","8.0609","0.0003","8.4672","0.0004","9.9999","0.0004","104.638","0.001","95.078","0.001","110.57","0.001","606.31","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-(3-Methoxyphenoxy)phthalonitrile","4-(3-Methoxyphenoxy)benzene-1,2-dicarbonitrile","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C30 H20 N4 O4 -","2","1","YZ2027","Erzunov, Dmitry; Rassolova, Anastasia; Rumyantsev, Roman; Maizlish, Vladimir; Tikhomirova, Tatiana; Vashurin, Arthur","Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","172","176","10.1107/S2056989023000518","","","0.71073","MoKα","","0.0434","0.0386","","","0.1017","0.1052","","","","","","1.056","","","","has coordinates,has Fobs","282421","2023-04-05","16:03:22",""
"2312063","11.7187","0.0004","11.7187","0.0004","65.014","0.004","90","","90","","90","","8928.2","0.7","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis[1,2-bis(4-<i>tert</i>-butylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II) pentane 0.25-solvate","","- C45.25 H55 Ni S4 -","- C45.25 H55 Ni S4 -","- C362 H440 Ni8 S32 -","8","1","JY2027","Das Gupta, Titir; Applebaum, Jack; Broussard, William; Mack, Carson; Wu, Che; Mague, Joel T.; Donahue, James P.","Bis[1,2-bis-(4-<i>tert</i>-butyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II) pentane 0.25-solvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","182","186","10.1107/S205698902300097X","","","1.54178","CuKα","","0.0463","0.0449","","","0.1359","0.1379","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","282422","2023-04-05","16:04:04",""
"2312064","9.9499","0.0006","11.2976","0.0009","14.9913","0.0012","68.65","0.008","89.473","0.006","78.976","0.006","1537.2","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","5-[1-Benzyl-6-fluoro-7-(piperidin-1-yl)-quinolin-4(1<i>H</i>)-on-3-yl]-3-(4-methylcyclohex-1-yl)-1,2,4-oxadiazole","7-(piperidin-1-yl)quinolin-4-one","","- C33 H41 F N4 O3 -","- C33 H41 F N4 O3 -","- C66 H82 F2 N8 O6 -","2","1","DX2050","Vaksler, Yevhenii; Hryhoriv, Halyna V.; Ivanov, Vladimir V.; Kovalenko, Sergiy M.; Georgiyants, Victoriya A.; Langer, Thierry","Synthesis, analysis of mol-ecular and crystal structures, estimation of inter-molecular inter-actions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","192","200","10.1107/S2056989023001305","","x-ray","0.71073","MoKα","","0.1435","0.0661","","","0.1586","0.1892","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","282423","2023-04-05","16:04:37",""
"2312065","17.915","0.002","9.8192","0.0013","19.954","0.003","90","","91.15","0.002","90","","3509.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(<i>N</i>,<i>N</i>-diethyl-4-methyl-4-piperazine-1-carboxamide) tetrakis(isothiocyanto-κ<i>N</i>)cobalt(II)","","- C24 H44 Co N10 O2 S4 -","- C24 H44 Co N10 O2 S4 -","- C96 H176 Co4 N40 O8 S16 -","4","1","ZL5041","Oliver, Allen G.; Lockwood, Tracy-Lynn E; Zinna, Jessica; Lieberman, Marya","Bis(<i>N</i>,<i>N</i>-diethyl-4-methyl-4-piperazine-1-carboxamide) tetra-kis-(iso-thio-cyanato-κ<i>N</i>)-cobalt(II), a model compound for the blue color developed in the Scott test.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","163","166","10.1107/S2056989023000981","","","0.71073","MoKα","","0.0643","0.0386","","","0.078","0.087","","","","","","1.008","","","","has coordinates,has Fobs","282424","2023-04-05","16:05:05",""
"2312066","25.2747","0.0012","8.0434","0.0004","15.6617","0.0005","90","","105.384","0.002","90","","3069.9","0.2","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-Nitrophenyl)piperazinium hydrogen succinate","","- C14 H19 N3 O6 -","- C14 H19 N3 O6 -","- C112 H152 N24 O48 -","8","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.039","0.0339","","","0.0848","0.089","","","","","","1.046","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:09",""
"2312067","6.0453","0.0003","7.393","0.0003","19.1439","0.0006","79.482","0.002","89.215","0.001","83.967","0.001","836.55","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazinium 4-aminobenzoate monohydrate","","- C17 H22 N4 O5 -","- C17 H22 N4 O5 -","- C34 H44 N8 O10 -","2","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.0357","0.0338","","","0.0963","0.0982","","","","","","1.045","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:10",""
"2312068","6.8051","0.0002","9.3927","0.0005","14.3869","0.0007","83.849","0.002","81.283","0.002","72.492","0.002","865.01","0.07","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazinium 2-(4-chlorophenyl)acetate","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C36 H40 Cl2 N6 O8 -","2","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.0328","0.0293","","","0.0716","0.0739","","","","","","1.04","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:10",""
"2312069","5.9779","0.0003","11.3934","0.0008","12.9312","0.0009","75.754","0.002","81.67","0.002","87.717","0.002","844.63","0.09","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazinium 2,3,4,5,6-pentafluorobenzoate","","- C17 H14 F5 N3 O4 -","- C17 H14 F5 N3 O4 -","- C34 H28 F10 N6 O8 -","2","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.0356","0.0308","","","0.0781","0.0816","","","","","","1.037","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:10",""
"2312070","27.4096","0.0019","7.3301","0.0005","5.9135","0.0003","90","","90","","90","","1188.11","0.13","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","4-Bromo-<i>N</i>-(4-bromobenzylidene)aniline","(<i>E</i>)-<i>N</i>,1-Bis(4-bromophenyl)methanimine","","- C13 H9 Br2 N -","- C13 H9 Br2 N -","- C52 H36 Br8 N4 -","4","0.5","HB8048","Subashini, A.; Ramamurthi, K.; Ramesh Babu, R.; Philip, Reji; Stoeckli-Evans, Helen","Synthesis, crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of 4-bromo-<i>N</i>-(4-bromo-benzyl-idene)aniline.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","146","150","10.1107/S2056989023001111","","","0.71073","MoKα","","0.0533","0.0365","","","0.0572","0.0609","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","282426","2023-04-05","16:06:49",""
"2312071","9.3923","0.0007","10.6505","0.0008","12.2955","0.0009","78.001","0.002","74.374","0.002","69.853","0.002","1102.97","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')[bis(tetrahydrofuran-κ<i>O</i>)molybdenum(II)] tetrahydrofuran disolvate","","- C48 H60 Mo2 O12 -","- C48 H60 Mo2 O12 -","- C48 H60 Mo2 O12 -","1","0.5","EX2066","Bass, Lillian Dawson; Lee, Jessie H.; Lilygren, McKenzie C; Hartnett, Alaina C.; Campbell, Brandon M.; Morphet, Daniel R.; Dogutan, Dilek K.; Zheng, Shao-Liang","Crystal structure of a methyl benzoate quadruple-bonded dimolybdenum complex.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","231","235","10.1107/S2056989023001457","","","0.71073","MoKα","","0.0281","0.0256","","","0.0649","0.0665","","","","","","1.089","","","","has coordinates,has Fobs","282427","2023-04-05","16:07:09",""
"2312072","30.7086","0.0014","5.2471","0.0003","8.0359","0.0004","90","","97.471","0.007","90","","1283.84","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Methylbenzyl)oxy]benzohydrazide","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","WM5671","Banna, Md Hasan Al; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Ansary, Md Rezaul Haque; Zangrando, Ennio","Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its <i>N</i>'-[(thio-phen-2-yl)-methyl-idene]- derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","207","211","10.1107/S2056989023001354","","","0.71075","MoKα","","0.0498","0.044","","","0.1217","0.1261","","","","","","1.043","","","","has coordinates,has Fobs","282428","2023-04-05","16:07:49",""
"2312073","11.3725","0.0008","7.8492","0.0005","39.286","0.002","90","","90","","90","","3506.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Methylbenzyl)oxy]-<i>N</i>'-[(thiophen-2-yl)methylidene]benzohydrazide","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C160 H144 N16 O16 S8 -","8","1","WM5671","Banna, Md Hasan Al; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Ansary, Md Rezaul Haque; Zangrando, Ennio","Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its <i>N</i>'-[(thio-phen-2-yl)-methyl-idene]- derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","207","211","10.1107/S2056989023001354","","","0.71075","MoKα","","0.1531","0.0782","","","0.1693","0.201","","","","","","1.022","","","","has coordinates,has Fobs","282428","2023-04-05","16:07:50",""
"2312074","11.874","0.004","19.579","0.007","24.374","0.009","90","","90","","90","","5666","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,6-Diisopropyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3]dithiepin-4-yl)(phenyl)methanol atropisomer","","- C34 H32 O S2 -","- C34 H32 O S2 -","- C272 H256 O8 S16 -","8","1","HB8055","Beare, Neil; Painter, Gavin F.; McAdam, C. John","Syntheses and crystal structure of a (2,6-diiso-propyldi-naphtho-[2,1-<i>d</i>:1',2'-<i>f</i>][1,3]dithiepin-4-yl)(phen-yl)methanol atropisomer.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","241","245","10.1107/S2056989023001706","","","0.71073","MoKα","","0.1169","0.0498","","","0.0986","0.127","","","","","","1.061","","","","has coordinates,has Fobs","282429","2023-04-05","16:08:23",""
"2312075","4.228","0.001","4.228","0.001","5.481","0.002","90","","90","","120","","84.85","0.04","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Tin, lead, bismuth) platinum","","- Bi0.31 Pb0.54 Pt Sn0.15 -","- Bi0.31 Pb0.54 Pt Sn0.148 -","- Bi0.62 Pb1.08 Pt2 Sn0.296 -","2","0.0833333","","Rössner, Leonard; Prots, Yurii; Grin, Yuri; Armbrüster, Marc","The crystal structure of quaternary (Sn,Pb,Bi)Pt.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","129","131","10.1107/S2056989023000956","","x-ray","0.71073","MoKα","","0.0272","0.0247","","","0.0406","0.0414","","","","","","1.512","","","","has coordinates","283600","2023-05-06","10:50:01",""
"2312076","10.0779","0.0001","31.1307","0.0003","9.336","0.0001","90","","90.986","0.001","90","","2928.57","0.05","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-Diiodoperchlorobenzene–<i>rtct</i>-1,2,3,4-tetrakis(pyridin-4-yl)cyclobutane","1,3-Diiodo-2,4,5,6-tetrachlorobenzene–<i>rtct</i>-1,2,3,4-tetrakis(pyridin-4-yl)cyclobutane","","- C30 H20 Cl4 I2 N4 -","- C30 H20 Cl4 I2 N4 -","- C120 H80 Cl16 I8 N16 -","4","1","ZL5042","Bosch, Eric; Unruh, Daniel K.; Santana, Carlos L.; Groeneman, Ryan H.","Halogen-bonded co-crystal containing 1,3-di-iodo-perchloro-benzene and the photoproduct <i>rtct</i>-tetra-kis-(pyridin-4-yl)cyclo-butane resulting in a zigzag topology.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","212","215","10.1107/S2056989023001408","","x-ray","1.54184","CuKα","","0.0446","0.0433","","","0.1136","0.1146","","","","","","1.055","","","","has coordinates,has Fobs","282432","2023-04-05","16:09:50",""
"2312077","7.1203","0.0008","7.2221","0.001","7.3808","0.0009","96.813","0.008","106.031","0.007","114.329","0.008","320.47","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,2-Ethanediammonium bis(nitrosocarbamoylcyanomethanide)","Ethane-1,2-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","1","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0598","0.044","","","0.1244","0.1362","","","","","","1.043","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312078","14.5686","0.0007","7.1704","0.0004","13.9658","0.0006","90","","104.209","0.003","90","","1414.27","0.12","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)","Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)","","- C10 H16 N8 O4 -","- C10 H16 N8 O4 -","- C40 H64 N32 O16 -","4","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0717","0.0501","","","0.1203","0.1327","","","","","","1.042","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312079","16.4095","0.0005","6.7848","0.0003","14.8471","0.0005","90","","116.556","0.003","90","","1478.61","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Butane-1,4-diammonium bis(nitrosocarbamoylcyanomethanide)","Butane-1,4-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C10 H18 N8 O4 -","- C10 H18 N8 O4 -","- C40 H72 N32 O16 -","4","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0723","0.0586","","","0.155","0.1658","","","","","","1.056","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312080","4.6121","0.0002","16.8608","0.0007","10.7931","0.0007","90","","93.853","0.003","90","","837.41","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexane-1,6-diammonium bis(nitrosocarbamoylcyanomethanide)","Hexane-1,6-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C12 H22 N8 O4 -","- C12 H22 N8 O4 -","- C24 H44 N16 O8 -","2","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0743","0.049","","","0.1092","0.1211","","","","","","1.042","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312081","15.5952","0.0011","15.7968","0.0011","25.7779","0.0015","74.729","0.002","85.878","0.002","89.857","0.002","6109.5","0.7","130","2","130","2","","","","","","","","4","P -1","-P 1","2","2λ^4^,4λ^4^,6λ^4^,8λ^4^-Tetrabora-1,3,5,7(1,3)-tetrapyridinacyclooctaphane-1^1^,3^1^,5^1^,7^1^-tetrakis(ylium)","2,2,8,8,14,14,20,20-Octakis[4-(dibutylamino)phenyl]-1,7,13,19-tetraaza-2,8,14,20-tetraborapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-1,7,13,19-tetrakis(ylium)","","- C132 H192 B4 N12 -","- C132 H192 B4 N12 -","- C264 H384 B8 N24 -","2","1","EP3030","Lovstedt, Alex; Dempsey, Stephen H.; Kass, Steven R.","Structure determination of a bis[4-(di-n-butylamino)phenyl](pyridin-3-yl)borane tetramer highlighting a unique geometric conformation of the core 16-membered ring.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","170","176","10.1107/S2053229623002619","","","0.71073","MoKα","","0.0725","0.0509","","","0.1245","0.1404","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","284368","2023-06-06","05:30:37",""
"2312082","5.2542","0.0001","5.2542","0.0001","12.6308","0.0003","90","","90","","120","","301.978","0.011","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","XK5099","Wrześniewska, Weronika; Paluch, Piotr; Guńka, Piotr A","Arsenic(III) oxide intercalate with ammonium chloride: crystal structure revision and thermal characterization.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","207","212","10.1107/S2052520623003086","","x-ray","0.71073","MoKα","","0.0164","0.0157","","","0.042","0.0424","","","","","","1.231","","","","has coordinates,has disorder,has Fobs","284364","2023-06-06","05:27:23",""
"2312093","11.0585","0.0008","12.0918","0.0008","19.5318","0.0014","73.751","0.002","74.975","0.002","74.263","0.002","2365.4","0.3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H41 Cu F6 N P3 -","- C55 H41 Cu F6 N P3 -","- C110 H82 Cu2 F12 N2 P6 -","2","1","ZO3034","Zhang, Dan Qi; Song, Li; Wu, Jin Tao; Zhu, Yu Fan; Xu, Wen Ze; Lai, Jia Qi; Chai, Wen Xiang","Structural, spectroscopic, luminescence sensing and TD-DFT theoretical studies of a CuP<sub>2</sub>N-type complex.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","186","192","10.1107/S2053229623003340","","","0.71073","MoKα","","0.0536","0.0416","","","0.1019","0.1099","","","","","","1.024","","","","has coordinates,has Fobs","284370","2023-06-06","05:30:55",""
"2312094","6.927","0.005","8.613","0.007","14.335","0.011","83.295","0.013","81.574","0.013","80.251","0.013","830.1","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-5-chloropyridinium diphenylphosphinate","","- C17 H16 Cl N2 O2 P -","- C17 H16 Cl N2 O2 P -","- C34 H32 Cl2 N4 O4 P2 -","2","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.068","0.0512","","","0.1289","0.1414","","","","","","1.072","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312095","6.267","0.004","9.551","0.006","14.615","0.01","88.185","0.011","84.742","0.01","75.841","0.01","844.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-cyanopyridinium diphenylphosphinate","","- C18 H16 N3 O2 P -","- C18 H16 N3 O2 P -","- C36 H32 N6 O4 P2 -","2","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.055","0.0413","","","0.1109","0.1211","","","","","","1.106","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312096","27.998","0.012","10.747","0.005","11.362","0.005","90","","97.344","0.008","90","","3391","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-5-methylpyridinium diphenylphosphinate","","- C18 H19 N2 O2 P -","- C18 H19 N2 O2 P -","- C144 H152 N16 O16 P8 -","8","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.0744","0.0506","","","0.1317","0.1496","","","","","","1.027","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312097","9.652","0.0008","9.7408","0.001","14.1445","0.0012","98.183","0.004","104.638","0.003","90.059","0.004","1272.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N6 O -","- C26 H21 Cl N6 O -","- C52 H42 Cl2 N12 O2 -","2","1","","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","227","236","10.1107/S2053229623003728","","","0.71073","MoKα","","0.1674","0.1465","","","0.4457","0.4731","","","","","","2.142","","","","has coordinates,has Fobs","285047","2023-07-06","18:16:45",""
"2312098","19.5522","0.0013","5.8693","0.0004","31.3714","0.0019","90","","91.438","0.004","90","","3599","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-3-(4-Methylphenyl)-1-(3-{[(4-methylphenyl)methylidene]amino}phenyl)prop-2-en-1-one","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","1","OV3165","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","217","226","10.1107/S2053229623003704","","x-ray","1.54178","CuKα","","0.0594","0.0393","","","0.0902","0.1014","","","","","","1.016","","","","has coordinates,has Fobs","285048","2023-07-06","18:17:11",""
"2312099","25.1922","0.0005","5.7621","0.0001","20.7012","0.0004","90","","109.066","0.001","90","","2840.14","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{3-[(2<i>E</i>)-3-(4-Methylphenyl)prop-2-enoyl]phenyl}acetamide","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","OV3165","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","217","226","10.1107/S2053229623003704","","x-ray","1.54178","CuKα","","0.0364","0.0342","","","0.0894","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","285048","2023-07-06","18:17:11",""
"2312100","12.702","0.007","19.372","0.01","20.34","0.007","71.313","0.007","81.809","0.013","78.917","0.019","4635","4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Hexachloridotetrakis{10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-\ silatriptycene}nickeldiplatinum–dichloromethane–ethanol (1/5/20), [NiPt~2Cl~6(TRIPPy)~4]","<i>catena</i>-Poly[[[dichloridonickel(II)]-bis{μ-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}-bis[dichloridoplatinum(II)]-bis{μ-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}] dichloromethane pentasolvate ethanol icosasolvate]","","- C161 H210 Cl16 N4 Ni O20 P4 Pt2 Si4 -","- C116 H80 Cl6 N4 Ni P4 Pt2 Si4 -","- C116 H80 Cl6 N4 Ni P4 Pt2 Si4 -","1","0.5","EF3041","Gildenast, Hans; Gruszien, Lukas; Englert, Ulli","The heterometallic one-dimensional solvated coordination polymer [NiPt<sub>2</sub>Cl<sub>6</sub>(TRIP-Py)<sub>4</sub>]<sub>n</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","118","124","10.1107/S2053229623001845","","","0.5","synchrotron","","0.0481","0.0359","","","0.1021","0.1077","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283564","2023-05-06","09:54:35",""
"2312101","7.254","0.0002","7.7223","0.0002","13.291","0.0004","90","","90","","90","","744.53","0.04","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-Poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Br2 Cd N2 -","- C4 H4 Br2 Cd N2 -","- C16 H16 Br8 Cd4 N8 -","4","0.25","HB8056","Näther, Christian; Jess, Inke","Syntheses, crystal structures and thermal properties of <i>catena</i>-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>] and <i>catena</i>-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","302","307","10.1107/S2056989023002001","","x-ray","0.71073","MoKα","","0.0225","0.0195","","","0.0563","0.0569","","","","","","1.16","","","","has coordinates,has Fobs","283565","2023-05-06","10:20:26",""
"2312102","7.574","0.0002","8.2979","0.0002","13.5363","0.0004","90","","90","","90","","850.73","0.04","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-Poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Cd I2 N2 -","- C4 H4 Cd I2 N2 -","- C16 H16 Cd4 I8 N8 -","4","0.25","","Näther, Christian; Jess, Inke","Syntheses, crystal structures and thermal properties of <i>catena</i>-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>] and <i>catena</i>-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","302","307","10.1107/S2056989023002001","","x-ray","0.71073","MoKα","","0.0169","0.0164","","","0.0454","0.0458","","","","","","1.176","","","","has coordinates,has Fobs","283565","2023-05-06","10:20:26",""
"2312103","17.8598","0.0008","15.0255","0.0007","33.92","0.002","90","","90","","90","","9102.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-({[2-(Dimethylamino-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C23 H23 Cl Cu N4 O5 -","- C23 H23 Cl Cu N4 O5 -","- C368 H368 Cl16 Cu16 N64 O80 -","16","2","DJ2061","Mamindla, Anjaneyulu; Varadhan, Manikandan; Velusamy, Marappan; Ulaganathan, Venkatasubramanian; Rajendiran, Venugopal","Crystal structure of [2-({[2-(dimethylamino-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phen-anthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>')copper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","259","263","10.1107/S2056989023001767","","","0.71073","MoKα","","0.0891","0.0535","","","0.1121","0.1298","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","283566","2023-05-06","10:21:17",""
"2312104","12.5276","0.0009","12.5276","0.0009","12.5276","0.0009","90","","90","","90","","1966.1","0.2","296","2","296","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium ditellurium(VI) triiron(III) dodecaoxide","","- Fe3 Na3 O12 Te2 -","- Fe3 Na3 O12 Te2 -","- Fe24 Na24 O96 Te16 -","8","0.0833333","PK2684","Eder, Felix; Weil, Matthias","Garnet-type Na<sub>3</sub>Te<sub>2</sub>(FeO<sub>4</sub>)<sub>3</sub>.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","328","330","10.1107/S2056989023002293","","","0.71073","MoKα","","0.0289","0.0173","","","0.0376","0.0413","","","","","","1.161","","","","has coordinates,has Fobs","283567","2023-05-06","10:21:53",""
"2312105","11.1351","0.0001","17.0545","0.0002","19.9131","0.0003","90","","90","","90","","3781.57","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","/ (2^2^<i>RS</i>,2^3^<i>SR</i>,2^5^<i>RS</i>,2^6^<i>SR</i>)-\ 2^3^,2^5^,5-trimethyl-2^1^-(2,2,2-\ trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-\ 2^4^-one","","- C20 H21 F3 N2 O4 -","- C20 H21 F3 N2 O4 -","- C160 H168 F24 N16 O32 -","8","1","TX2063","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Ershova, Anastasia A.; Grigoriev, Mikhail S.; Rocha, Bruno G. M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (2<sup>2</sup> <i>RS</i>,2<sup>3</sup> <i>SR</i>,2<sup>5</sup> <i>RS</i>,2<sup>6</sup> <i>SR</i>)-2<sup>3</sup>,2<sup>5</sup>,5-trimethyl-2<sup>1</sup>-(2,2,2-tri-fluoro-acet-yl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di-furana-cyclo-hexa-phan-2<sup>4</sup>-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","292","296","10.1107/S2056989023001986","","","1.54184","CuKα","","0.0389","0.0368","","","0.1005","0.1022","","","","","","1.034","","","","has coordinates,has Fobs","283568","2023-05-06","10:23:22",""
"2312106","11.5663","0.0005","15.4045","0.0008","22.8256","0.0011","90","","99.209","0.004","90","","4014.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~3~-chlorido-tetra-μ~2~-chlorido-tetrakis(diethyl ether-κ<i>O</i>)bis(1,1-dimethylethyl)tetramagnesium","","- C24 H58 Cl6 Mg4 O4 -","- C24 H58 Cl6 Mg4 O4 -","- C96 H232 Cl24 Mg16 O16 -","4","1","WM5675","Metzler, Maurice; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Crystal structure of [<i>t</i>BuMgCl]<sub>2</sub>[MgCl<sub>2</sub>(Et<sub>2</sub>O)<sub>2</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","341","344","10.1107/S2056989023002190","","","0.71073","MoKα","","0.0486","0.0302","","","0.0621","0.0662","","","","","","0.928","","","","has coordinates,has Fobs","283569","2023-05-06","10:24:31",""
"2312107","15.7256","0.0005","7.0155","0.0002","20.0725","0.0006","90","","101.242","0.002","90","","2171.97","0.11","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-1-(4-<i>tert</i>-Butylphenyl)-5-ethyl-4-ferrocenyl-\ 5-hydroxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one","","- C26 H29 Fe N O2 -","- C26 H29 Fe N O2 -","- C104 H116 Fe4 N4 O8 -","4","1","JQ2026","Biletzki, Tobias; Görls, Helmar; Imhof, Wolfgang","<i>rac</i>-1-(4-<i>tert</i>-Butyl-phen-yl)-5-ethyl-4-ferrocenyl-5-hy-droxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","264","266","10.1107/S2056989023001858","","","0.71073","MoKα","","0.1219","0.0732","","","0.1253","0.1436","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","283570","2023-05-06","10:26:00",""
"2312108","46.689","0.004","12.2502","0.0006","8.2435","0.0004","90","","90","","90","","4714.9","0.5","130","0.1","130","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","5-dimethylaminomethylidene-4-(2-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C192 H208 N48 O32 S16 -","16","1","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0298","0.0279","","","0.0684","0.07","","","","","","1.059","","","","has coordinates,has Fobs","284365","2023-06-06","05:27:45",""
"2312109","20.7594","0.0003","11.8833","0.0002","13.3407","0.0002","90","","104.534","0.002","90","","3185.7","0.09","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-dimethylaminomethylidene-4-(3-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one dimethylformamide solvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C120 H160 N32 O24 S8 -","8","2","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0497","0.0415","","","0.1213","0.1271","","","","","","1.052","","","","has coordinates,has Fobs","284365","2023-06-06","05:27:57",""
"2312110","13.163","0.0002","17.0311","0.0003","7.3212","0.0001","90","","99.213","0.002","90","","1620.1","0.04","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-dimethylaminomethylidene-4-(4-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one dimethylformamide solvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C60 H80 N16 O12 S4 -","4","1","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0348","0.0324","","","0.0848","0.0872","","","","","","1.066","","","","has coordinates,has Fobs","284365","2023-06-06","05:28:11",""
"2312111","9.0637","0.0005","9.0637","0.0005","13.2319","0.001","90","","90","","120","","941.38","0.1","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Nd0.51 Ni4.83 Tb1.51 Zn12.17 -","- Nd0.4956 Ni4.8265 Tb1.5044 Zn12.1735 -","- Nd1.4868 Ni14.4795 Tb4.5132 Zn36.5205 -","3","0.0833333","YP3229","Nytka, Vitalii; Kordan, Vasyl; Stetskiv, Andrij; Pavlyuk, Volodymyr","Tb<sub>2-x</sub>Nd<sub>x</sub>Zn<sub>17-y</sub>Ni<sub>y</sub> (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","257","262","10.1107/S2053229623004369","","","0.71073","MoKα","","0.0861","0.046","","","0.0866","0.096","","","","","","0.9","","","","has coordinates,has Fobs","285045","2023-07-06","18:16:17",""
"2312112","7.5224","0.0018","8.4415","0.0018","10.82","0.003","91.437","0.009","104.157","0.01","112.754","0.008","608.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>-[(4-Fluorophenyl)sulfanyl]phthalimide","2-[(4-Fluorophenyl)sulfanyl]isoindole-1,3-dione","","- C14 H8 F N O2 S -","- C14 H8 F N O2 S -","- C28 H16 F2 N2 O4 S2 -","2","1","ZO3030","Çakmak, Şukriye; Aycan, Tuğba; Yakan, Hasan; Veyisoğlu, Aysel; Tanak, Hasan; Evecen, Meryem","Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","249","256","10.1107/S2053229623003418","","","0.71073","MoKα","","0.0388","0.0334","","","0.0797","0.085","","","","","","1.056","","","","has coordinates,has Fobs","285046","2023-07-06","18:16:29",""
"2312118","22.151","0.002","24.498","0.002","25.108","0.002","114.23","0.02","101.09","0.02","95.4","0.02","11963","3","80","2","80","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","32","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.042","0.0401","","","0.1127","0.1139","","","","","","1.059","","","","has coordinates,has Fobs","284366","2023-06-06","05:29:50",""
"2312119","22.178","0.002","24.504","0.002","25.106","0.002","114.21","0.02","101.16","0.02","95.37","0.02","11978","3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","32","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0686","0.0656","","","0.1881","0.191","","","","","","1.021","","","","has coordinates,has Fobs","284366","2023-06-06","05:29:50",""
"2312120","22.151","0.002","24.498","0.002","25.108","0.002","114.23","0.02","101.09","0.02","95.4","0.02","11963","3","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.1208","0.119","","","0.2516","0.2521","","","","","","1.223","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312121","22.178","0.002","24.504","0.002","25.106","0.002","114.21","0.02","101.16","0.02","95.37","0.02","11978","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.1385","0.1357","","","0.2879","0.2888","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312122","15.025","0.002","19.506","0.002","23.021","0.002","107.96","0.02","102.68","0.02","101.48","0.02","5997.5","1.8","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","8","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0584","0.0554","","","0.1553","0.1576","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312123","15.025","0.002","19.506","0.002","23.021","0.002","107.96","0.02","102.68","0.02","101.48","0.02","5997.5","1.8","80","2","80","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0525","0.0483","","","0.1383","0.1428","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312124","15.094","0.004","19.62","0.005","23.111","0.006","108.1","0.03","102.99","0.03","101.29","0.03","6073","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","8","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","0.71073","MoKα","","0.0906","0.0548","","","0.1238","0.1432","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312125","11.3193","0.0009","11.3193","0.0009","15.4254","0.0016","90","","90","","120","","1711.6","0.3","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] trichloride tetrahydrate","","- C6 H32 Cl3 Co N6 O4 -","- C6 H32 Cl3 Co N6 O4 -","- C24 H128 Cl12 Co4 N24 O16 -","4","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0371","0.0346","","","0.0982","0.1005","","","","","","1.139","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:20",""
"2312126","11.354","0.007","11.354","0.007","15.683","0.013","90","","90","","120","","1751","2","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C24 H120 Cl14 Co4 N24 Na2 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0249","0.0215","","","0.0456","0.0469","","","","","","1.131","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312127","11.4444","0.0003","11.4444","0.0003","15.649","0.0006","90","","90","","120","","1775.02","0.09","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquapotassium(I) heptachloride","","- C12 H60 Cl7 Co2 K N12 O6 -","- C12 H60 Cl7 Co2 K N12 O6 -","- C24 H120 Cl14 Co4 K2 N24 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.025","0.0245","","","0.0646","0.0649","","","","","","1.193","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312128","11.4131","0.0014","11.4131","0.0014","15.578","0.003","90","","90","","120","","1757.3","0.5","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Ammonium bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] heptachloride hexahydrate","","- C12 H64 Cl7 Co2 N13 O6 -","- C12 H64 Cl7 Co2 N13 O6 -","- C24 H128 Cl14 Co4 N26 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0445","0.033","","","0.0644","0.0685","","","","","","1.039","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312129","11.32","0.003","11.32","0.003","8.049","0.002","90","","90","","120","","893.2","0.4","120","2","120","2","","","","","","","","7","P 3","P 3","143","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","1","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0237","0.0212","","","0.0371","0.0378","","","","","","0.995","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312130","9.1032","0.0002","10.9034","0.0001","15.3748","0.0002","90","","107.202","0.002","90","","1457.78","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{Amino[6-(pyrrolidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide","","- C13 H20 N6 S -","- C13 H20 N6 S -","- C52 H80 N24 S4 -","4","1","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0393","0.0373","","","0.1045","0.1059","","","","","","1.101","","","","has coordinates,has Fobs","284681","2023-06-29","15:22:42",""
"2312131","9.3148","0.0002","9.386","0.0001","36.2261","0.0005","90","","94.812","0.001","90","","3156.04","0.09","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{Amino[6-(piperidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide","","- C14 H22 N6 S -","- C14 H22 N6 S -","- C112 H176 N48 S8 -","8","2","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0528","0.0489","","","0.143","0.1465","","","","","","1.051","","","","has coordinates,has Fobs","284681","2023-06-29","15:23:00",""
"2312132","7.96887","0.00014","10.94707","0.00018","18.4759","0.0003","90","","96.242","0.0016","90","","1602.2","0.05","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","2-[Amino(6-phenoxypyridin-2-yl)methylidene]-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide monohydrate","","- C15 H19 N5 O2 S -","- C15 H19 N5 O2 S -","- C60 H76 N20 O8 S4 -","4","1","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0574","0.0575","","","","","","1.048","","","","has coordinates,has Fobs","284681","2023-06-29","15:23:12",""
"2312133","7.769","0.004","22.149","0.012","13.656","0.008","90","","99.399","0.009","90","","2318","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[0.75(aqua)[μ~3~-4,4'-(1<i>H</i>,1'<i>H</i>-[2,2'-biimidazole]-1,1'-diyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>';<i>N</i>;<i>O</i>'',<i>O</i>''']]lead(II)] 1.25-hydrate]","","- C20 H16 N4 O6 Pb -","- C20 H12 N4 O6 Pb -","- C80 H48 N16 O24 Pb4 -","4","1","LF3130","Liu, Xiangning; Cai, Hua; Zhou, Ruikang; Li, Yaqi","Construction of a Pb<sup>II</sup> coordination polymer from a semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","263","268","10.1107/S2053229623004783","","","0.71073","MoKα","","0.0734","0.0419","","","0.0998","0.1131","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","284682","2023-06-29","15:24:22",""
"2312134","4.82","0.001","19.11","0.004","19.28","0.004","90","","90","","90","","1775.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(Benzyloxycarbonyl)alanyl]isoleucine","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","OP3019","Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna","Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","277","282","10.1107/S2053229623004849","","","0.97625","synchrotron","","0.0661","0.0598","","","0.1664","0.174","","","","","","1.1","","","","has coordinates,has Fobs","284683","2023-06-29","15:25:20",""
"2312135","14.1807","0.0006","7.4675","0.0003","20.0702","0.0008","90","","90","","90","","2125.32","0.15","293","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3-(Dihydroxyboryl)anilinium bisulfate monohydrate","3-(Dihydroxyboryl)anilinium hydrogen sulfate monohydrate","","- C6 H12 B N O7 S -","- C6 H12 B N O7 S -","- C48 H96 B8 N8 O56 S8 -","8","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0536","0.0512","","","0.1343","0.1379","","","","","","1.081","","","","has coordinates","284685","2023-06-29","15:27:41",""
"2312136","10.97561","0.00018","7.22452","0.00011","13.5494","0.0002","90","","103.343","0.0015","90","","1045.38","0.03","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(Dihydroxyboryl)anilinium methyl sulfate","","- C7 H12 B N O6 S -","- C7 H12 B N O6 S -","- C28 H48 B4 N4 O24 S4 -","4","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0306","0.03","","","0.0783","0.0789","","","","","","1.114","","","","has coordinates,has Fobs","284685","2023-06-29","15:27:44",""
"2312137","5.0151","0.0005","5.0151","0.0005","8.1086","0.0009","90","","90","","120","","176.62","0.03","296","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co Ga Mg -","- Co Ga0.99995 Mg -","- Co4 Ga3.9998 Mg4 -","4","0.166667","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0264","0.0254","","","0.0642","0.0644","","","","","","1.274","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:33",""
"2312138","4.9868","0.0009","25.959","0.004","8.0508","0.0011","90","","90","","90","","1042.2","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co Ga0.52 Mg0.74 -","- Co Ga0.515 Mg0.735 -","- Co32 Ga16.48 Mg23.52 -","32","2","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0786","0.0338","","","0.0622","0.0886","","","","","","0.903","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:34",""
"2312139","4.9296","0.0002","4.9296","0.0002","12.0744","0.0007","90","","90","","120","","254.11","0.02","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co Ga0.15 Mg0.49 -","- Co1.00336 Ga0.149673 Mg0.489164 -","- Co11.037 Ga1.6464 Mg5.3808 -","11","0.305556","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0338","0.0295","","","0.0791","0.0856","","","","","","1.178","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:34",""
"2312140","8.1882","0.0003","27.2641","0.0007","22.8679","0.0007","90","","90.283","0.003","90","","5105.1","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ag2.8 Cu0.2 Pb9.77 S28 Sb11.23 -","- Ag2.803 Cu0.198 Pb9.772 S28 Sb11.228 -","- Ag11.212 Cu0.792 Pb39.088 S112 Sb44.912 -","4","1","RA5131","Stöger, Berthold; Göb, Christian; Topa, Dan","A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004523","","x-ray","0.71073","MoKα","","0.1009","0.0655","","","0.1324","0.1464","","","","","","1.022","","","","has coordinates,has Fobs","284808","2023-07-05","02:06:43",""
"2312141","12.0351","0.0004","15.1265","0.0005","10.5562","0.0004","90","","90","","90","","1921.75","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4.36 Fe K2 O10.18 -","- C4 Fe K2 O10.1795 -","- C32 Fe8 K16 O81.436 -","8","2","RA5129","Amanchar, Sara; Schweitzer, Thierry; Mazet, Thomas; Malaman, Bernard; Diop, Leopold V. B.; Francois, Michel","Structure of the new iron(II) oxalate potassium salt K<sub>2</sub>Fe[(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·0.18H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004602","","","0.71073","MoKα","","0.0476","0.0366","","","0.0922","0.1004","","","","","","1.082","","","","has coordinates,has Fobs","284809","2023-07-05","02:07:23",""
"2312142","5.1335","0.0001","7.2734","0.0001","9.1031","0.0001","107.952","0.001","105.18","0.001","92.139","0.001","309.472","0.009","121","2","121","2","","","","","","","","4","P -1","-P 1","2","","bis-(hydrogenmaleate)tetraaquanickel(II)","","- C8 H14 Ni O12 -","- C8 H14 Ni0.5 O12 -","- C8 H14 Ni0.5 O12 -","1","0.5","","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004377","","","0.71073","MoKα","","0.021","0.016","","","","0.017","","","","","","0.93","","","","has coordinates,has Fobs","284810","2023-07-05","02:08:24",""
"2312143","12.0206","0.0003","5.09502","0.0001","10.8527","0.0003","90","","107.01","0.003","90","","635.6","0.03","293","2","293","2","","","","","","","","12","P 1 21 1","P 2yb","4","","","","- C0.1 H1.92 Al2.14 Ca2.48 K0.49 Mg0.04 Na0.21 O15.62 P0.2 S0.7 Si2.86 Sr0.06 -","- Al2 Ca2.693 K0.281 Na0.247 O15.616 S0.897 Si3 Sr0.06 -","- Al4 Ca5.386 K0.562 Na0.494 O31.232 S1.794 Si6 Sr0.12 -","2","1","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.0192","0.0189","","","0.0508","0.051","","","","","","1.061","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"2312144","23.9846","0.0009","5.09694","0.00015","10.8504","0.0004","90","","107.032","0.004","90","","1268.26","0.08","293","2","293","2","","","","","","","","12","P 1 21/a 1","-P 2yab","14","","","","- C0.14 H4.04 Al4.2 Ca4.94 K0.9 Mg0.08 Na0.45 O31.4 P0.33 S1.53 Si5.8 Sr0.09 -","- Al4 Ca5.384 K0.454 Na0.526 O31.404 S1.858 Si6 Sr0.09 -","- Al8 Ca10.768 K0.908 Na1.052 O62.808 S3.716 Si12 Sr0.18 -","2","0.5","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.042","0.0309","","","0.0648","0.0691","","","","","","1.025","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"2312145","16.424","0.005","16.876","0.004","18.265","0.005","90","","112.66","0.02","90","","4672","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]-μ-μ-1,4-bis(3-aminopropyl)piperazine-κ^2^<i>N</i>^1'^:<i>N</i>^4'^]","","- C34 H78 Cd N4 O6 S2 Si2 -","- C34 H78 Cd N4 O6 S2 Si2 -","- C136 H312 Cd4 N16 O24 S8 Si8 -","4","1","DV3023","Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka","Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.","Acta crystallographica. Section C, Structural chemistry","2023","","","","","10.1107/S2053229623005442","","x-ray","0.71073","MoKα","","0.0495","0.0428","","","0.1045","0.1068","","","","","","1.139","","","","has coordinates,has Fobs","285018","2023-07-06","01:56:13",""
"2312146","9.6433","0.0002","29.0546","0.0004","14.5665","0.0002","90","","91.466","0.001","90","","4079.94","0.12","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ-1,4-Bis(3-aminopropyl)piperazine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^4^,<i>N</i>^4'^-bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]","","- C58 H132 Cd2 N4 O12 S4 Si4 -","- C58 H132 Cd2 N4 O12 S4 Si4 -","- C116 H264 Cd4 N8 O24 S8 Si8 -","2","0.5","DV3023","Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka","Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.","Acta crystallographica. Section C, Structural chemistry","2023","","","","","10.1107/S2053229623005442","","x-ray","0.71073","MoKα","","0.0519","0.0441","","","0.1167","0.1227","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","285018","2023-07-06","01:56:26",""
"2312147","15.3082","0.0009","5.202","0.0003","18.6832","0.0011","90","","112.809","0.002","90","","1371.46","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrazine-2-carboxamide; 2-(carboxymethyl)benzoic acid","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0679","0.0606","","","0.2124","0.2249","","","","","","1.198","","","","has coordinates,has Fobs","285043","2023-07-06","17:47:46",""
"2312148","5.1567","0.0003","21.1373","0.001","17.8054","0.0009","90","","92.826","0.002","90","","1938.41","0.18","285","2","285","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine–5-chlorosalicylic acid (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 5-chloro-2-hydroxybenzoic acid","","- C22 H17 Cl N2 O4 -","- C22 H17 Cl N2 O4 -","- C88 H68 Cl4 N8 O16 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0526","0.0438","","","0.112","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","285043","2023-07-06","17:47:46",""
"2312149","15.344","0.0006","5.4552","0.0003","23.7301","0.0009","90","","96.148","0.002","90","","1974.89","0.15","285","2","285","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Carbamazepine–<i>trans</i>-cinnamic acid (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 3-phenylprop-2-enoic acid","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0716","0.0429","","","0.0984","0.1129","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","285043","2023-07-06","17:47:47",""
"2312150","5.1236","0.0001","17.7396","0.0005","19.7236","0.0006","90","","91.09","0.002","90","","1792.37","0.08","285","2","285","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Carbamazepine–nicotinamide (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; pyridine-3-carboxamide","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0575","0.0404","","","0.0979","0.107","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","285043","2023-07-06","17:47:47",""
"2312151","5.9138","0.0002","9.8318","0.0004","10.8908","0.0004","73.154","0.004","76.691","0.003","87.551","0.003","589.58","0.04","100","5","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H16 Cl4 Mn N2 O2 -","- C3 H16 Cl4 Mn N2 O2 -","- C6 H32 Cl8 Mn2 N4 O4 -","2","1","","Abdel-Aal, Seham K; Souhassou, Mohamed; Durand, Pierrick; Lecomte, Claude; Abdel-Rahman, Ahmed S; Claiser, Nicolas","Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623005309","","","0.71073","MoKα","","0.0532","0.0331","","","0.0637","0.0737","","","","","","0.9956","","","","has coordinates,has Fobs","285080","2023-07-07","01:47:49",""
"2312152","8.8811","0.0001","8.8811","0.0001","9.2057","0.0001","90","","90","","120","","628.812","0.012","293","","293","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Y Zn5.217 -","- Y Zn5.21733 -","- Y6 Zn31.304 -","6","0.5","","Fredrickson, Rie T.; Fredrickson, Daniel C.","As predicted and more: modulated channel occupation in YZn<sub>5+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623005292","","x-ray","0.71073","MoKα","","0.056","0.0272","","","0.0788","0.0876","","","","1.94","1.94","1.53","","","","has coordinates,has Fobs","285139","2023-07-11","01:52:09",""
"2312156","11.3873","0.0005","9.0517","0.0004","14.4136","0.0007","90","","113.225","0.001","90","","1365.28","0.11","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Diaquabis(8-hydroxyquinoline-2-carboxylato-κ^3^<i>N</i>,<i>O</i>^2^,<i>O</i>^8^)zirconium(IV) dimethylformamide disolvate","","- C26 H28 N4 O10 Zr -","- C26 H28 N4 O10 Zr -","- C52 H56 N8 O20 Zr2 -","2","0.5","DG3041","Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan","Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid.","Acta crystallographica. Section C, Structural chemistry","2023","79","8","","","10.1107/S2053229623005971","","","0.71073","MoKα","","0.0257","0.022","","","0.0533","0.0554","","","","","","1.048","","","","has coordinates,has Fobs","285294","2023-07-20","02:04:35",""
"2312157","7.774","0.0004","7.9955","0.0004","12.4836","0.0006","106.383","0.004","98.191","0.004","93.279","0.004","732.96","0.07","250","2","250","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-{[(4-Methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","ZO3036","Yahiaoui, Ahmed Abderrahim; Ghichi, Nadir; Hannachi, Douniazed; Mezhoud, Bilel; Djedouani, Amel; Kraim, Khairedine; Crochet, Aurélien; Stoeckli-Evans, Helen","The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","8","","","10.1107/S2053229623005867","","x-ray","0.71073","MoKα","","0.0422","0.038","","","0.108","0.1125","","","","","","1.041","","","","has coordinates,has Fobs","285383","2023-07-29","01:54:39",""
"2312158","7.4918","0.0003","27.814","0.0011","10.2023","0.0004","90","","97.053","0.002","90","","2109.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isopropyl 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Propan-2-yl 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H25 F4 N O3 -","- C23 H25 F4 N O3 -","- C92 H100 F16 N4 O12 -","4","1","TX2062","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri-fluoro-meth-yl)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","187","191","10.1107/S205698902300141X","","","0.71073","MoKα","","0.0748","0.0455","","","0.1038","0.129","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","285616","2023-08-11","01:52:14",""
"2312159","8.2032","0.0002","9.4084","0.0003","10.8312","0.0003","70.9328","0.0008","76.1237","0.0009","74.2486","0.0009","749.84","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-iodido-bis[(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')copper(I)]","","- C36 H24 Cu2 I2 N4 -","- C36 H24 Cu2 I2 N4 -","- C36 H24 Cu2 I2 N4 -","1","0.5","DJ2055","Temesgen, Ayalew W.; Novikov, Anton P.; Tskhovrebov, Alexander G.; Kultyshkina, Ekaterina K.; Le, Tuan Anh","Synthesis, crystal structure and Hirshfeld surface analysis of di-μ<sub>2</sub>-iodido-bis-[(2,2'-bi-quinoline-κ<sup>2</sup> <i>N</i>,<i>N</i>')copper(I)].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","132","135","10.1107/S2056989023000634","","","0.71073","MoKα","","0.0266","0.0209","","","0.0484","0.0503","","","","","","1.065","","","","has coordinates,has Fobs","285617","2023-08-11","01:52:37",""
"2312160","7.522","0.0006","10.1067","0.0008","10.1973","0.0009","108.932","0.009","101.922","0.01","111.088","0.009","636.62","0.13","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis[bis(2-chloropyrazine-κ<i>N</i>)copper(I)]","","- C16 H12 Cl4 Cu2 I2 N8 -","- C16 H12 Cl4 Cu2 I2 N8 -","- C16 H12 Cl4 Cu2 I2 N8 -","1","0.5","JQ2025","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of di-μ-iodido-bis-[bis-(2-chloro-pyrazine-κ<i>N</i>)copper(I)].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","167","171","10.1107/S2056989023001238","","","0.71073","MoKα","","0.0421","0.0372","","","0.0966","0.0995","","","","","","1.015","","","","has coordinates,has Fobs","285619","2023-08-11","01:54:07",""
"2312161","13.2385","0.0002","14.5713","0.0003","20.3505","0.0004","90","","90","","90","","3925.66","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-3-{(1<i>R</i>,4<i>S</i>)-6-methoxy-4,7-dimethyl-5,8-bis[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}butanoate","","- C36 H66 O5 Si2 -","- C36 H66 O5 Si2 -","- C144 H264 O20 Si8 -","4","1","VM2277","Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin","Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","177","181","10.1107/S2056989023001226","","","0.71073","MoKα","","0.0573","0.042","","","0.1032","0.1119","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","285620","2023-08-11","01:55:03",""
"2312162","12.0078","0.0007","9.262","0.0006","12.1411","0.0008","90","","104.091","0.0014","90","","1309.66","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (<i>E</i>)-3-{(1<i>R</i>,4<i>S</i>)-8-hydroxy-6-methoxy-4,7-dimethyl-5-[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}acrylate","","- C26 H42 O5 Si -","- C26 H42 O5 Si -","- C52 H84 O10 Si2 -","2","1","VM2277","Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin","Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","177","181","10.1107/S2056989023001226","","","0.71073","MoKα","","0.0398","0.0346","","","0.0858","0.0884","","","","","","1.039","","","","has coordinates,has Fobs","285620","2023-08-11","01:55:13",""
"2312163","37.3964","0.0018","18.478","0.0007","5.1164","0.0002","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(4-methylpyridine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc(II)","","- C14 H14 N4 Se2 Zn -","- C14 H14 N4 Se2 Zn -","- C112 H112 N32 Se16 Zn8 -","8","0.5","HB8052","Näther, Christian; Jess, Inke","Syntheses and crystal structures of bis-(4-methyl-pyridine-κ<i>N</i>)bis-(seleno-cyanato-κ<i>N</i>)zinc(II) and <i>catena</i>-poly[[bis-(4-methyl-pyridine-κ<i>N</i>)cadmium(II)]-di-μ-seleno-cyanato-κ<sup>2</sup> <i>N</i>:<i>Se</i>;κ<sup>2</sup> <i>Se</i>:<i>N</i>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","136","141","10.1107/S2056989023000920","","","0.71073","MoKα","","0.0323","0.029","","","0.0652","0.0665","","","","","","1.13","","","","has coordinates,has Fobs","285621","2023-08-11","01:57:45",""
"2312164","20.7296","0.0011","9.4896","0.0003","19.7364","0.001","90","","113.794","0.003","90","","3552.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)cadmium(II)]-di-μ-selenocyanato-κ^2^<i>N</i>:<i>Se</i>;κ^2^<i>Se</i>:<i>N</i>]","","- C14 H14 Cd N4 Se2 -","- C14 H14 Cd N4 Se2 -","- C112 H112 Cd8 N32 Se16 -","8","1","HB8052","Näther, Christian; Jess, Inke","Syntheses and crystal structures of bis-(4-methyl-pyridine-κ<i>N</i>)bis-(seleno-cyanato-κ<i>N</i>)zinc(II) and <i>catena</i>-poly[[bis-(4-methyl-pyridine-κ<i>N</i>)cadmium(II)]-di-μ-seleno-cyanato-κ<sup>2</sup> <i>N</i>:<i>Se</i>;κ<sup>2</sup> <i>Se</i>:<i>N</i>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","136","141","10.1107/S2056989023000920","","","0.71073","MoKα","","0.0512","0.0391","","","0.0722","0.076","","","","","","1.13","","","","has coordinates,has Fobs","285621","2023-08-11","01:57:45",""
"2312165","12.3334","0.0002","14.6776","0.0002","18.2772","0.0002","90","","90","","90","","3308.62","0.08","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","NE5010","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.094","0.0643","","","0.118","0.1293","","","","","","1.11","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:07",""
"2312166","12.9662","0.0008","15.3404","0.0009","17.5869","0.0008","90","","90","","90","","3498.2","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2757","0.1137","","","0.1938","0.2535","","","","","","1.124","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312167","17.3333","0.0002","12.4822","0.0001","17.2401","0.0002","90","","115.745","0.0015","90","","3359.77","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0442","0.0391","","","0.1125","0.1174","","","","","","1.049","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312168","17.2809","0.0002","12.4718","0.0001","17.2385","0.0002","90","","115.779","0.0014","90","","3345.55","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0421","0.0375","","","0.1088","0.1133","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312169","17.3653","0.0002","12.3005","0.0001","16.9681","0.0001","90","","115.771","0.001","90","","3263.92","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0419","0.0387","","","0.1097","0.1126","","","","","","1.071","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312170","17.3421","0.0001","12.2466","0.0001","16.9062","0.0001","90","","115.859","0.0009","90","","3231.05","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0334","0.0315","","","0.0917","0.0932","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312171","17.3504","0.0001","12.2463","0.0001","16.9059","0.0001","90","","115.859","0.0009","90","","3232.44","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.0328","","","0.0943","0.096","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312172","17.2304","0.0002","12.4328","0.0001","17.1722","0.0002","90","","115.784","0.0012","90","","3312.42","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.044","0.0395","","","0.1113","0.1157","","","","","","1.063","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312173","17.3439","0.0002","12.3191","0.0001","16.992","0.0002","90","","115.756","0.0011","90","","3269.84","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0445","0.041","","","0.1156","0.119","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312174","17.3955","0.0001","12.2561","0.0001","16.9145","0.0001","90","","115.834","0.0009","90","","3245.8","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0354","0.0332","","","0.0953","0.0972","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312175","17.2586","0.0001","12.253","0.0001","16.9153","0.0002","90","","115.851","0.001","90","","3219.12","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0328","0.0313","","","0.0891","0.0903","","","","","","1.048","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312176","17.3888","0.0001","12.2512","0.0001","16.9092","0.0001","90","","115.844","0.0009","90","","3241.96","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0354","0.0332","","","0.0968","0.0993","","","","","","1.074","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312177","17.2972","0.0002","12.4754","0.0001","17.2406","0.0002","90","","115.77","0.0014","90","","3350.34","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0433","0.0383","","","0.1099","0.1145","","","","","","1.042","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312178","17.1815","0.0002","12.2587","0.0001","16.9189","0.0002","90","","115.825","0.0012","90","","3207.62","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.033","","","0.095","0.0963","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312179","17.3163","0.0001","12.2478","0.0001","16.9086","0.0001","90","","115.86","0.001","90","","3226.99","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0329","0.0312","","","0.0893","0.0907","","","","","","1.064","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312180","17.3965","0.0001","12.2641","0.0001","16.9234","0.0001","90","","115.816","0.0009","90","","3250.29","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.037","0.0346","","","0.0981","0.1003","","","","","","1.061","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312181","17.3581","0.0001","12.2465","0.0001","16.9054","0.0001","90","","115.858","0.0009","90","","3233.88","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.0326","","","0.0944","0.0961","","","","","","1.076","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312182","17.3886","0.0001","12.2774","0.0001","16.9394","0.0001","90","","115.797","0.001","90","","3255.95","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0387","0.0362","","","0.1034","0.1056","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312183","17.2381","0.0002","12.2553","0.0001","16.9184","0.0002","90","","115.847","0.0011","90","","3216.6","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0333","0.0317","","","0.09","0.0913","","","","","","1.054","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312184","17.3122","0.0002","12.3466","0.0001","17.0296","0.0002","90","","115.747","0.0011","90","","3278.65","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0452","0.0413","","","0.1174","0.1216","","","","","","1.055","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312185","17.2746","0.0002","12.3794","0.0001","17.0784","0.0002","90","","115.751","0.0012","90","","3289.5","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0449","0.0409","","","0.1159","0.1199","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312186","17.2408","0.0002","12.4576","0.0001","17.221","0.0002","90","","115.797","0.0013","90","","3330.11","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0423","0.038","","","0.1068","0.1109","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312187","17.3927","0.0001","12.2534","0.0001","16.9115","0.0001","90","","115.838","0.0009","90","","3243.85","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0352","0.0331","","","0.095","0.0968","","","","","","1.06","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312188","17.1496","0.0002","12.2625","0.0001","16.9243","0.0002","90","","115.814","0.0016","90","","3203.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.038","0.0366","","","0.1042","0.1056","","","","","","1.05","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312189","17.1594","0.0002","12.2611","0.0001","16.9226","0.0002","90","","115.815","0.0015","90","","3205.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.037","0.0354","","","0.1016","0.1032","","","","","","1.05","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312190","17.2011","0.0002","12.2556","0.0001","16.9151","0.0002","90","","115.829","0.0011","90","","3209.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0341","0.0326","","","0.0939","0.0951","","","","","","1.06","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312191","17.273","0.0002","12.47","0.0001","17.2369","0.0002","90","","115.783","0.0014","90","","3343.11","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0422","0.0374","","","0.108","0.1126","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312192","17.2178","0.0002","12.2577","0.0001","16.921","0.0002","90","","115.841","0.0011","90","","3214.1","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0337","0.0321","","","0.091","0.0923","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312193","17.3784","0.0001","12.2483","0.0001","16.9066","0.0001","90","","115.852","0.0009","90","","3238.54","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0352","0.0334","","","0.094","0.0957","","","","","","1.06","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312194","17.2891","0.0002","12.4738","0.0001","17.2395","0.0002","90","","115.775","0.0014","90","","3347.99","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0424","0.0376","","","0.1095","0.1142","","","","","","1.054","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312195","17.3421","0.0002","12.4836","0.0001","17.2399","0.0002","90","","115.74","0.0015","90","","3361.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0448","0.0393","","","0.1137","0.1192","","","","","","1.046","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312196","17.2974","0.0001","12.2491","0.0001","16.9106","0.0001","90","","115.858","0.001","90","","3224.24","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0332","0.0316","","","0.0912","0.0926","","","","","","1.059","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312197","17.2586","0.0002","12.4659","0.0001","17.2321","0.0002","90","","115.79","0.0013","90","","3338.1","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0425","0.0381","","","0.1089","0.113","","","","","","1.056","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312198","17.3059","0.0002","12.4774","0.0001","17.241","0.0002","90","","115.765","0.0014","90","","3352.78","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0428","0.038","","","0.1106","0.115","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312199","17.2485","0.0001","12.2541","0.0001","16.9168","0.0002","90","","115.85","0.0011","90","","3217.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0328","0.0312","","","0.0887","0.09","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312200","17.2784","0.0001","12.2509","0.0001","16.913","0.0001","90","","115.856","0.001","90","","3221.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0327","0.0311","","","0.0888","0.0901","","","","","","1.048","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312201","17.2356","0.0002","12.422","0.0001","17.1521","0.0002","90","","115.776","0.0012","90","","3306.89","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0432","0.0392","","","0.1125","0.1163","","","","","","1.061","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312202","17.246","0.0002","12.4606","0.0001","17.2256","0.0002","90","","115.796","0.0013","90","","3332.84","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0423","0.0381","","","0.1074","0.1111","","","","","","1.051","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312203","17.2298","0.0002","12.446","0.0001","17.1989","0.0002","90","","115.795","0.0012","90","","3320.68","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0433","0.0391","","","0.1101","0.1138","","","","","","1.065","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312204","17.1908","0.0002","12.2568","0.0001","16.9166","0.0002","90","","115.826","0.0011","90","","3208.39","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0341","0.0324","","","0.0937","0.0951","","","","","","1.056","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312205","17.2287","0.0002","12.4404","0.0001","17.1874","0.0002","90","","115.791","0.0012","90","","3316.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0431","0.0389","","","0.1095","0.1133","","","","","","1.062","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312206","17.3069","0.0001","12.2483","0.0001","16.9094","0.0001","90","","115.859","0.001","90","","3225.54","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0332","0.0315","","","0.0902","0.0916","","","","","","1.063","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312207","17.3242","0.0002","12.4805","0.0001","17.2409","0.0002","90","","115.753","0.0015","90","","3357.49","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0436","0.0382","","","0.1106","0.116","","","","","","1.045","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312208","17.3655","0.0001","12.247","0.0001","16.9055","0.0001","90","","115.856","0.0009","90","","3235.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0347","0.0328","","","0.0934","0.095","","","","","","1.057","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312209","17.1718","0.0002","12.26","0.0001","16.9206","0.0002","90","","115.822","0.0012","90","","3206.54","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.0331","","","0.0942","0.0955","","","","","","1.059","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312210","17.252","0.0002","12.4633","0.0001","17.2293","0.0002","90","","115.794","0.0013","90","","3335.49","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0423","0.0379","","","0.1081","0.1123","","","","","","1.049","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312211","17.3147","0.0002","12.4789","0.0001","17.2407","0.0002","90","","115.757","0.0014","90","","3355.05","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0432","0.0381","","","0.1108","0.1156","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312212","17.2283","0.0002","12.2566","0.0001","16.9197","0.0002","90","","115.845","0.0011","90","","3215.41","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0332","0.0316","","","0.09","0.0913","","","","","","1.061","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312213","17.384","0.0001","12.2496","0.0001","16.9077","0.0001","90","","115.848","0.0009","90","","3240.23","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0359","0.0339","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312214","17.2483","0.0002","12.406","0.0001","17.1227","0.0002","90","","115.766","0.0012","90","","3299.66","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.043","0.0392","","","0.1122","0.1159","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312215","17.2322","0.0002","12.4508","0.0001","17.208","0.0002","90","","115.796","0.0013","90","","3324.15","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0424","0.0382","","","0.1075","0.1113","","","","","","1.059","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312216","17.3723","0.0001","12.2473","0.0001","16.9059","0.0001","90","","115.855","0.0009","90","","3236.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0353","0.0335","","","0.094","0.0956","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312217","17.2362","0.0002","12.4545","0.0001","17.2151","0.0002","90","","115.797","0.0013","90","","3327.24","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0428","0.0386","","","0.1083","0.1123","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312218","17.2684","0.0001","12.252","0.0001","16.9141","0.0002","90","","115.853","0.001","90","","3220.39","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0324","0.0308","","","0.0875","0.0888","","","","","","1.044","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312219","17.2658","0.0002","12.468","0.0001","17.235","0.0002","90","","115.787","0.0014","90","","3340.71","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0424","0.0378","","","0.1084","0.1132","","","","","","1.048","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312220","17.2881","0.0001","12.2499","0.0001","16.9117","0.0002","90","","115.858","0.001","90","","3222.91","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0328","0.031","","","0.0891","0.0906","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312221","17.3795","0.0001","12.2872","0.0001","16.9515","0.0001","90","","115.785","0.001","90","","3259.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0399","0.0368","","","0.104","0.1069","","","","","","1.062","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312222","12.9526","0.0005","15.1884","0.0006","17.6032","0.0006","90","","90","","90","","3463.1","0.2","293","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2285","0.1033","","","0.1492","0.187","","","","","","1.15","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312223","12.3465","0.0002","14.7297","0.0002","18.2561","0.0002","90","","90","","90","","3320.06","0.08","120","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1056","0.0728","","","0.1305","0.142","","","","","","1.149","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312224","12.9265","0.0004","15.0011","0.0004","17.6167","0.0004","90","","90","","90","","3416.08","0.16","215","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1837","0.1069","","","0.1497","0.1728","","","","","","1.205","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312225","12.3334","0.0002","14.6776","0.0002","18.2772","0.0002","90","","90","","90","","3308.62","0.08","85","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.094","0.0643","","","0.118","0.1293","","","","","","1.11","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312226","12.9195","0.0003","14.9581","0.0004","17.6206","0.0004","90","","90","","90","","3405.2","0.14","195","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1741","0.1079","","","0.1559","0.1765","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312227","12.9579","0.0005","15.244","0.0006","17.5986","0.0006","90","","90","","90","","3476.3","0.2","315","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2477","0.1134","","","0.1591","0.1996","","","","","","1.164","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312228","12.3375","0.0002","14.6932","0.0002","18.2706","0.0002","90","","90","","90","","3312.05","0.08","95","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0968","0.0679","","","0.1232","0.1345","","","","","","1.118","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312229","12.9162","0.0003","14.9373","0.0004","17.622","0.0004","90","","90","","90","","3399.87","0.14","185","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1677","0.1036","","","0.1553","0.1765","","","","","","1.197","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312230","12.9231","0.0003","14.98","0.0004","17.6199","0.0004","90","","90","","90","","3411","0.14","205","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1786","0.109","","","0.1478","0.1686","","","","","","1.206","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312231","12.3677","0.0002","14.816","0.0003","18.2223","0.0003","90","","90","","90","","3339.05","0.1","165","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1408","0.0945","","","0.1491","0.164","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312232","12.3441","0.0002","14.7212","0.0002","18.2597","0.0002","90","","90","","90","","3318.15","0.08","115","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1056","0.0732","","","0.1312","0.1426","","","","","","1.163","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312233","12.3623","0.0002","14.7965","0.0003","18.23","0.0003","90","","90","","90","","3334.61","0.1","155","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1327","0.0887","","","0.1403","0.1549","","","","","","1.206","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312234","12.9388","0.0004","15.0788","0.0005","17.6121","0.0005","90","","90","","90","","3436.15","0.18","250","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1931","0.0995","","","0.1535","0.1839","","","","","","1.145","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312235","12.9641","0.0007","15.3324","0.0008","17.5888","0.0007","90","","90","","90","","3496.1","0.3","345","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2776","0.1206","","","0.1679","0.2162","","","","","","1.162","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312236","12.3384","0.0002","14.6989","0.0002","18.2686","0.0002","90","","90","","90","","3313.21","0.08","100","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0994","0.0691","","","0.1246","0.1355","","","","","","1.129","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312237","12.9419","0.0005","15.1124","0.0005","17.608","0.0005","90","","90","","90","","3443.8","0.2","265","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2039","0.0973","","","0.1495","0.1843","","","","","","1.141","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312238","12.9212","0.0003","14.9706","0.0004","17.6196","0.0004","90","","90","","90","","3408.3","0.14","200","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1753","0.1085","","","0.1485","0.1685","","","","","","1.223","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312239","12.3733","0.0003","14.8371","0.0003","18.2128","0.0004","90","","90","","90","","3343.58","0.13","175","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1464","0.0931","","","0.1463","0.1631","","","","","","1.214","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312240","12.3481","0.0002","14.7388","0.0002","18.2524","0.0003","90","","90","","90","","3321.87","0.09","125","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1101","0.0754","","","0.1344","0.1466","","","","","","1.154","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312241","12.3551","0.0002","14.7667","0.0003","18.2415","0.0003","90","","90","","90","","3328.05","0.1","140","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1148","0.0751","","","0.1327","0.1466","","","","","","1.156","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312242","12.9473","0.0005","15.1502","0.0006","17.6044","0.0005","90","","90","","90","","3453.2","0.2","280","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2137","0.1014","","","0.1557","0.1912","","","","","","1.157","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312243","12.34","0.0002","14.7047","0.0002","18.2655","0.0002","90","","90","","90","","3314.38","0.08","105","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1006","0.0689","","","0.124","0.1356","","","","","","1.13","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312244","12.9347","0.0004","15.056","0.0005","17.6127","0.0004","90","","90","","90","","3429.98","0.17","240","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1831","0.0942","","","0.1419","0.1687","","","","","","1.131","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312245","12.9442","0.0004","15.1256","0.0005","17.6073","0.0005","90","","90","","90","","3447.31","0.18","270","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2064","0.0998","","","0.1559","0.1907","","","","","","1.148","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312246","12.9305","0.0004","15.0243","0.0004","17.6168","0.0004","90","","90","","90","","3422.45","0.16","225","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1888","0.1058","","","0.146","0.1712","","","","","","1.191","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312247","12.9365","0.0004","15.0666","0.0004","17.6116","0.0004","90","","90","","90","","3432.66","0.16","245","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.188","0.0968","","","0.1458","0.1745","","","","","","1.144","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312248","12.9607","0.0006","15.2577","0.0008","17.5967","0.0007","90","","90","","90","","3479.8","0.3","320","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2465","0.1059","","","0.1614","0.2049","","","","","","1.136","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312249","12.3353","0.0002","14.6851","0.0002","18.2738","0.0002","90","","90","","90","","3310.21","0.08","90","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0968","0.0664","","","0.1245","0.1363","","","","","","1.126","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312250","12.3711","0.0003","14.826","0.0003","18.2181","0.0003","90","","90","","90","","3341.45","0.12","170","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1383","0.0874","","","0.14","0.1569","","","","","","1.188","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312251","12.9344","0.0004","15.0561","0.0005","17.6128","0.0004","90","","90","","90","","3429.95","0.17","235","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1853","0.095","","","0.1395","0.167","","","","","","1.144","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312252","12.9579","0.0006","15.2284","0.0007","17.5993","0.0007","90","","90","","90","","3472.8","0.3","310","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2386","0.1022","","","0.1521","0.1947","","","","","","1.132","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312253","12.9555","0.0005","15.2018","0.0006","17.6028","0.0006","90","","90","","90","","3466.8","0.2","300","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2336","0.1038","","","0.1533","0.1929","","","","","","1.147","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312254","12.9631","0.0007","15.3033","0.0008","17.5926","0.0007","90","","90","","90","","3490","0.3","335","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2671","0.1157","","","0.1638","0.2104","","","","","","1.156","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312255","12.3502","0.0002","14.748","0.0002","18.249","0.0003","90","","90","","90","","3323.89","0.09","130","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1134","0.0757","","","0.1346","0.1478","","","","","","1.164","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312256","12.918","0.0003","14.9481","0.0004","17.6212","0.0004","90","","90","","90","","3402.65","0.14","190","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.171","0.1068","","","0.1538","0.1742","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312257","12.9471","0.0005","15.1392","0.0006","17.6059","0.0006","90","","90","","90","","3450.9","0.2","275","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2056","0.0978","","","0.155","0.1899","","","","","","1.137","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312258","12.9639","0.0007","15.2874","0.0007","17.5947","0.0007","90","","90","","90","","3487","0.3","330","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2577","0.1116","","","0.1628","0.2086","","","","","","1.142","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312259","12.9567","0.0006","15.2136","0.0006","17.602","0.0006","90","","90","","90","","3469.7","0.2","305","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2363","0.1085","","","0.1503","0.1882","","","","","","1.145","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312260","12.3654","0.0003","14.8067","0.0003","18.226","0.0003","90","","90","","90","","3337.01","0.12","160","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1352","0.0919","","","0.1452","0.159","","","","","","1.216","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312261","12.9645","0.0007","15.3174","0.0007","17.59","0.0007","90","","90","","90","","3493.1","0.3","340","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2721","0.1137","","","0.168","0.2195","","","","","","1.132","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312262","12.9256","0.0004","14.9915","0.0004","17.6177","0.0004","90","","90","","90","","3413.85","0.16","210","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1805","0.1082","","","0.1442","0.1649","","","","","","1.2","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312263","12.9498","0.0005","15.1732","0.0006","17.6021","0.0005","90","","90","","90","","3458.6","0.2","290","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2261","0.1069","","","0.1568","0.194","","","","","","1.158","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312264","12.9281","0.0004","15.0131","0.0004","17.6172","0.0004","90","","90","","90","","3419.34","0.16","220","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1866","0.1079","","","0.1468","0.17","","","","","","1.21","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312265","12.3593","0.0002","14.7857","0.0003","18.2342","0.0003","90","","90","","90","","3332.13","0.1","150","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1293","0.0876","","","0.1415","0.155","","","","","","1.218","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312266","12.9662","0.0008","15.3404","0.0009","17.5869","0.0008","90","","90","","90","","3498.2","0.3","350","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2757","0.1137","","","0.1938","0.2535","","","","","","1.124","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312267","12.9604","0.0006","15.2712","0.0007","17.5958","0.0006","90","","90","","90","","3482.6","0.3","325","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2561","0.1158","","","0.1635","0.2061","","","","","","1.17","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312268","12.3525","0.0002","14.7569","0.0003","18.2457","0.0003","90","","90","","90","","3325.91","0.1","135","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1156","0.0784","","","0.1351","0.1486","","","","","","1.151","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312269","12.9149","0.0003","14.927","0.0004","17.6232","0.0004","90","","90","","90","","3397.41","0.14","180","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1627","0.1052","","","0.1565","0.1749","","","","","","1.23","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312270","12.9419","0.0004","15.1014","0.0005","17.6085","0.0005","90","","90","","90","","3441.42","0.18","260","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1965","0.0962","","","0.1494","0.1821","","","","","","1.138","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312271","12.9392","0.0004","15.0898","0.0005","17.6092","0.0005","90","","90","","90","","3438.2","0.18","255","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.196","0.098","","","0.1542","0.1864","","","","","","1.146","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312272","12.3576","0.0002","14.7766","0.0003","18.2377","0.0003","90","","90","","90","","3330.26","0.1","145","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1271","0.0867","","","0.1414","0.1549","","","","","","1.211","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312273","12.3415","0.0002","14.7126","0.0002","18.2629","0.0002","90","","90","","90","","3316.1","0.08","110","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1032","0.0719","","","0.1281","0.139","","","","","","1.157","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312274","12.9317","0.0004","15.0357","0.0004","17.6142","0.0004","90","","90","","90","","3424.86","0.16","230","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1948","0.1078","","","0.1425","0.1674","","","","","","1.191","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312275","7.60853","0.00011","6.48071","0.00009","6.24923","0.0001","90","","90","","90","","308.141","0.008","296","","296","","","","","","","","","4","P m n 21","P 2ac -2","31","Copper cadmium silicon sulfide","Copper cadmium silicon sulfide","","- Cd Cu2 S4 Si -","- Cd Cu2 S4 Si -","- Cd2 Cu4 S8 Si2 -","2","0.5","VX3001","Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.","Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623006848","","","0.71073","MoKα","","0.0221","0.0221","","","0.047","0.047","","","","","","1.269","","","","has coordinates,has Fobs","285784","2023-08-16","01:49:27",""
"2312276","5.5798","0.0012","5.5798","0.0012","10.86","0.003","90","","90","","90","","338.12","0.14","296","","296","","","","","","","","","4","I -4 2 m","I -4 2","121","Copper mercury tin sulfide","Copper mercury tin sulfide","","- Cu2 Hg S4 Sn -","- Cu2 Hg S4 Sn -","- Cu4 Hg2 S8 Sn2 -","2","0.125","VX3001","Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.","Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623006848","","","0.71073","MoKα","","0.0141","0.0141","","","0.0317","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","285784","2023-08-16","01:49:31",""
"2312277","7.4355","0.0013","34.195","0.006","7.7242","0.0014","90","","112.512","0.004","90","","1814.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0725","0.054","","","0.1314","0.1419","","","","","","1.034","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:05",""
"2312278","11.0834","0.0006","13.8364","0.0008","12.0014","0.0007","90","","115.71","0.003","90","","1658.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,4-dihydroxybenzoic acid","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.1343","0.0606","","","0.1729","0.2193","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","285853","2023-08-24","01:36:06",""
"2312279","7.6312","0.0003","33.5293","0.0012","7.3493","0.0003","90","","114.298","0.001","90","","1713.88","0.12","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(Propan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0479","0.0429","","","0.1173","0.1218","","","","","","1.076","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"2312280","7.2682","0.0003","34.0775","0.0015","7.6124","0.0003","90","","111.081","0.002","90","","1759.27","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2-chloro-4-nitrobenzoic acid","","- C17 H17 Cl N4 O5 -","- C17 H17 Cl N4 O5 -","- C68 H68 Cl4 N16 O20 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0527","0.0473","","","0.1241","0.1289","","","","","","1.066","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"2312281","9.2054","0.0003","11.5589","0.0004","15.6268","0.0006","92.383","0.002","93.092","0.002","90.666","0.002","1658.74","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,5-dihydroxybenzoic acid","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","2","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0872","0.0675","","","0.171","0.1909","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","285853","2023-08-24","01:36:06",""
"2312282","5.6832","0.0001","7.4639","0.0002","11.7473","0.0003","91.524","0.002","95.245","0.002","106.024","0.002","476.24","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","2,2'-Dithiobispyrazine","2-(Pyrazin-2-yldisulfanyl)pyrazine","","- C8 H6 N4 S2 -","- C8 H6 N4 S2 -","- C16 H12 N8 S4 -","2","1","DG3042","Wzgarda-Raj, Kinga; Dominikowska, Justyna; Husik, Natallia; Rybarczyk-Pirek, Agnieszka J","2,2'-Dithiobispyrazine: about the disulfide bond.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007416","","x-ray","0.71073","MoKα","","0.0447","0.0324","","","0.0819","0.0867","","","","","","1.08","","","","has coordinates,has Fobs","285904","2023-08-30","01:47:48",""
"2312283","9.2532","0.0014","12.3025","0.0018","3.0256","0.0005","90","","90","","90","","344.43","0.09","293","","293","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Al0.08 B Fe1.183 Mg1.737 O5 -","- Al0.08 B Fe1.1835 Mg1.7365 O5 -","- Al0.32 B4 Fe4.734 Mg6.946 O20 -","4","0.5","","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Bubnova, Rimma S.; Vagizov, Farit G.; Ugolkov, Valery L.; Filatov, Stanislav K.; Pekov, Igor V.","Crystal structure refinement, low- and high-temperature X-ray diffraction and Mössbauer spectroscopy study of the oxoborate ludwigite from the Iten'yurginskoe deposit.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","5","","","10.1107/S2052520623006455","","x-ray","0.71073","MoKα","","0.073","0.0469","","","0.0397","0.0434","","","","1.72","1.72","1.53","","","","has coordinates","286220","2023-09-06","01:45:35",""
"2312284","11.403","0.004","11.882","0.002","10.905","0.003","90","","119.475","0.013","90","","1286.3","0.6","299","","299","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Sodium chloride tridecahydrate","Sodium chloride tridecahydrate","","- Cl H26 Na O13 -","- Cl Na O13 -","- Cl4 Na4 O52 -","4","0.5","","Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki","The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","5","","","10.1107/S2052520623007199","","","0.71075","MoKα","","0.0423","0.0423","","","0.0987","0.0987","","","","","","0.957","","","","has coordinates,has Fobs","286336","2023-09-14","01:39:54",""
"2312285","11.3436","0.0001","11.8254","0.001","10.8625","0.0002","90","","119.345","0.0004","90","","1270.15","0.11","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Deuterated sodium chloride tridecahydrate","Deuterated sodium chloride tridecahydrate","","- Cl D26 Na O13 -","- Cl D26 Na O13 -","- Cl4 D104 Na4 O52 -","4","0.5","","Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki","The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","5","","","10.1107/S2052520623007199","","","1","neutron","","0.0748","0.0748","","","0.1823","0.1823","","","","","","1.779","","","","has coordinates,has Fobs","286336","2023-09-14","01:39:57",""
"2312286","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.2193","0.1794","","","0.3103","0.3191","","","","5.3355","5.3355","4.4134","","","","has coordinates","286386","2023-09-18","11:42:45",""
"2312287","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.2336","0.1911","","","0.3079","0.4071","","","","5.0258","5.0258","5.4616","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312288","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.2145","0.1882","","","0.4005","0.426","","","","2.2218","2.2218","2.0258","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312289","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.212","0.1901","","","0.389","0.4097","","","","2.5278","2.5278","2.3603","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312290","12.368","0.004","8.021","0.003","13.536","0.005","90","","112.24","0.03","90","","1242.9","0.8","95.15","","95.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(S)-(+)-Ibuprofen","(S)-(+)-Ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.211","0.1902","","","0.3933","0.4139","","","","2.4974","2.4974","2.3539","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312291","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1482","0.1428","","","0.3477","0.348","","","","9.1441","9.1441","8.7578","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312292","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1571","0.1392","","","0.3359","0.3376","","","","5.9096","5.9096","5.3504","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312293","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1531","0.1395","","","0.3365","0.3447","","","","2.2725","2.2725","2.0282","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312294","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1473","0.1444","","","0.3517","0.3551","","","","2.6013","2.6013","2.565","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312295","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1416","0.1306","","","0.299","0.3049","","","","2.5481","2.5481","2.3621","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312296","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.172","0.1458","","","0.3033","0.3052","","","","7.8689","7.8689","6.2593","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312297","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1688","0.1337","","","0.2251","0.2642","","","","3.0687","3.0687","2.9272","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312298","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1648","0.149","","","0.3737","0.406","","","","1.6363","1.6363","1.4801","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312299","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1609","0.1467","","","0.339","0.3634","","","","1.8692","1.8692","1.7822","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312300","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1606","0.1469","","","0.3411","0.366","","","","1.8672","1.8672","1.7825","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312301","11.7637","0.0006","11.746","0.0005","10.3316","0.0005","90","","111.384","0.006","90","","1329.31","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dopamine benzoate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium benzoate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0766","0.0601","","","0.1534","0.1705","","","","","","1.023","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:46",""
"2312302","7.4993","0.0002","18.5051","0.0005","10.761","0.0003","90","","99.628","0.003","90","","1472.33","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dopamine 4-nitrobenzoate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-nitrobenzoate","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C60 H64 N8 O24 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","0.71073","MoKα","","0.0734","0.0476","","","0.0986","0.112","","","","","","1.034","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:50",""
"2312303","10.6328","0.0005","8.5651","0.0005","23.8669","0.0013","90","","90","","90","","2173.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dopamine ethanedisulfonate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium ethane-1,2-disulfonate","","- C18 H28 N2 O10 S2 -","- C18 H28 N2 O10 S2 -","- C72 H112 N8 O40 S8 -","4","0.5","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0479","0.0409","","","0.1234","0.1342","","","","","","1.138","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:56",""
"2312304","17.4085","0.0008","11.9234","0.0005","7.6779","0.0003","90","","95.273","0.004","90","","1586.95","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dopamine 4-hydroxybenzenesulfonate monohydrate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-hydroxybenzenesulfonate monohydrate","","- C14 H19 N O7 S -","- C14 H19 N O7 S -","- C56 H76 N4 O28 S4 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0718","0.0571","","","0.1507","0.1688","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","286395","2023-09-19","01:36:58",""
"2312305","7.6518","0.0004","8.2376","0.0004","9.6402","0.0004","102.414","0.004","93.1","0.004","115.838","0.005","526.51","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Bismuth succinate hydrate","Poly[[diaqua(μ~3~-butane-1,4-dicarboxylato)hemi(μ-butane-1,4-dicarboxylato)bismuth] monohydrate]","","- C6 H12 Bi O9 -","- C6 H12 Bi O9 -","- C12 H24 Bi2 O18 -","2","1","FP3093","Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.","Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623008124","","","0.71073","MoKα","","0.0341","0.0291","","","0.0586","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","286465","2023-09-22","01:53:20",""
"2312306","7.8258","0.0004","9.6629","0.0004","10.1924","0.0005","81.457","0.004","75.553","0.004","77.881","0.004","725.97","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Bismuth succinate hydrate","Poly[[μ-aqua-aqua(μ~3~-butane-1,4-dicarboxylato)(μ-butane-1,4-dicarboxylato)-μ-oxido-dibismuth] monohydrate]","","- C8 H14 Bi2 O12 -","- C8 H14 Bi2 O12 -","- C16 H28 Bi4 O24 -","2","1","FP3093","Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.","Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623008124","","","0.71073","MoKα","","0.0311","0.0256","","","0.0576","0.0606","","","","","","1.046","","","","has coordinates,has Fobs","286465","2023-09-22","01:53:21",""
"2312307","28.778","0.008","16.511","0.005","34.938","0.012","90","","108.189","0.011","90","","15771","9","105","","105","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Trimesic acid–4-chlorophenyl diphenyl phosphate (5/2)","Benzene-1,3,5-tricarboxylic acid–4-chlorophenyl diphenyl phosphate (5/2)","","- C81 H58 Cl2 O38 P2 -","- C81 H58 Cl2 O38 P2 -","- C648 H464 Cl16 O304 P16 -","8","1","EF3047","Som, Shubham; Hasija, Avantika; Chopra, Deepak","From liquid to crystal via mechanochemical grinding: unique host-guest (HOF) cocrystal.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007519","","","0.71073","MoKα","","0.2127","0.1155","","","0.2568","0.3171","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","286466","2023-09-22","01:54:06",""
"2312308","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OOH","Di-μ-peroxido-bis[tricarbonyl(pyridine)technetium] <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C16 H12 N2 O10 Tc2 -","- C16 H12 N2 O10 Tc2 -","- C64 H48 N8 O40 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0538","0.0455","","","0.1155","0.1221","","","","","","1.05","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312309","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OME","di-μ-methoxido-bis[tricarbonyl(pyridine)technetium], <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C18 H16 N2 O8 Tc2 -","- C18 H16 N2 O8 Tc2 -","- C72 H64 N8 O32 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0502","0.0419","","","0.1067","0.1128","","","","","","1.051","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312310","8.3769","0.0004","8.7294","0.0004","9.7804","0.0005","74.8391","0.0017","79.5481","0.0018","78.3934","0.0016","669.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 6-chloronicotinate dihydrate","","- C10 H15 Cl N6 O4 -","- C10 H15 Cl N6 O4 -","- C20 H30 Cl2 N12 O8 -","2","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.0363","0.0294","","","0.0741","0.0784","","","","","","1.081","","","","has coordinates,has Fobs","286517","2023-09-26","01:44:56",""
"2312311","8.2567","0.001","12.7736","0.0014","13.2612","0.0017","90","","102.433","0.005","90","","1365.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Triaminopyrimidinediium pyridine-2,6-dicarboxylate dihydrate","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C44 H64 N24 O24 -","4","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.0459","0.0343","","","0.0836","0.0912","","","","","","1.036","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:04",""
"2312312","9.0198","0.0005","10.1953","0.0005","9.8987","0.0005","90","","103.305","0.002","90","","885.85","0.08","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-Triaminopyrimidinediium sulfate monohydrate","","- C4 H11 N5 O5 S -","- C4 H11 N5 O5 S -","- C16 H44 N20 O20 S4 -","4","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.083","0.0461","","","0.1001","0.1132","","","","","","1.041","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:04",""
"2312313","6.977","0.0002","10.5805","0.0003","11.217","0.0002","83.491","0.002","87.651","0.002","80.623","0.002","811.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 3,5-dinitrobenzoate dihydrate","","- C11 H15 N7 O8 -","- C11 H15 N7 O8 -","- C22 H30 N14 O16 -","2","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","1.54184","CuKα","","0.0454","0.0397","","","0.1156","0.1213","","","","","","1.089","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:05",""
"2312314","8.5339","0.0003","11.8471","0.0004","13.2628","0.0005","87.563","0.002","71.508","0.001","85.627","0.001","1267.72","0.08","200","","200","","","","","","","","","3","P -1","-P 1","2","2-{10-[4-(Diphenylamino)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile","2-{10-[4-(Diphenylamino)phenyl]acridin-9-ylidene}propanedinitrile","","- C34 H22 N4 -","- C34 H22 N4 -","- C68 H44 N8 -","2","1","UX3002","Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying","Synthesis, structures and properties of two donor-acceptor acridone-based compounds.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007994","","","1.34139","GaKα","","0.0772","0.0524","","","0.145","0.1572","","","","","","1.142","","","","has coordinates,has Fobs","286518","2023-09-26","01:45:59",""
"2312315","11.7306","0.001","7.1509","0.0006","29.769","0.002","90","","96.28","0.002","90","","2482.2","0.3","296","1","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-{10-[4-(9<i>H</i>-Carbazol-9-yl)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile","2-{10-[4-(Carbazol-9-yl)phenyl]acridin-9-ylidene}propanedinitrile","","- C34 H20 N4 -","- C34 H20 N4 -","- C136 H80 N16 -","4","1","UX3002","Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying","Synthesis, structures and properties of two donor-acceptor acridone-based compounds.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007994","","","0.71073","MoKα","","0.0784","0.048","","","0.123","0.1391","","","","","","1.024","","","","has coordinates,has Fobs","286518","2023-09-26","01:46:00",""
"2312316","9.6864","0.0019","10.484","0.002","10.658","0.002","66.22","0.03","89.67","0.03","82.73","0.03","981.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-anthracene-κ^2^<i>C</i>^9^:<i>C</i>^10^)dicopper bis[bis(tetrahydrofuran-κ<i>O</i>)potassium]","","- C44 H52 Cu2 K2 O4 -","- C44 H52 Cu2 K2 O4 -","- C44 H52 Cu2 K2 O4 -","1","0.5","EQ3012","Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Crystal structure and synthesis of the bis(anthracene)dicuprate dianion as the dipotassium salt, [K(tetrahydrofuran)<sub>2</sub>]<sub>2</sub>[{Cu(9,10-η<sup>2</sup>-anthracene)}<sub>2</sub>], the first anionic arene complex of copper.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","456","463","10.1107/S2053229623008367","","","0.71073","MoKα","","0.0356","0.0287","","","0.0687","0.0726","","","","","","1.039","","","","has coordinates,has Fobs","288126","2023-12-07","11:46:48",""
"2312317","27.946","0.007","7.0236","0.0005","21.61","0.003","90","","119.031","0.014","90","","3708.7","1.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TPPM_BnOH","","- C48.5 H35.5 N4 O0.5 -","- C48.5 H35.5 N4 O0.5 -","- C194 H142 N16 O2 -","4","0.5","","Marchetti, Danilo; Pedrini, Alessandro; Massera, Chiara; Diame, Moussa Faye; Jandl, Christian; Steinfeld, Gunther; Gemmi, Mauro","3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","432","436","10.1107/S2052520623007680","","electron","0.0285","electron","","0.2031","0.1442","","","0.1479","0.1532","","","","0","0","3.9081","","","","has coordinates,has Fobs","288124","2023-12-07","11:46:18",""
"2312318","12.4202","0.0003","3.7916","0.0001","16.915","0.004","90","","107.792","0.008","90","","758.47","0.18","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","","Anil Kumar, G. N.; Hathwar, Venkatesha R.","Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007862","","","0.2496","Synchrotron,monochromatic","","0.025","0.025","","","","0.034","","","","","","0.897","","","","has coordinates,has Fobs","286957","2023-10-13","02:19:10",""
"2312319","8.948","0.002","12.19","0.002","14.881","0.002","83.865","0.002","75.6","0.003","80.454","0.004","1546.7","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","BI-3812, pentahydrate","1-(5-chloro-4-((8-methoxy-1-methyl-3-(2-(methylamino)-2-oxoethoxy)-2-oxo-1,2-dihydroquinolin-6-yl)amino)pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide","","- C26 H42 Cl N7 O10 -","- C26 H42 Cl N7 O10 -","- C52 H84 Cl2 N14 O20 -","2","1","LU5029","Gorelik, Tatiana E.; Lukat, Peer; Kleeberg, Christian; Blankenfeldt, Wulf; Mueller, Rolf","Molecular replacement for small-molecule crystal structure determination from X-ray and electron diffraction data with reduced resolution.","Acta crystallographica. Section A, Foundations and advances","2023","79","Pt 6","504","514","10.1107/S2053273323008458","","","0.61992","synchrotron","","0.0433","0.042","","","0.1193","0.1211","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","288122","2023-12-07","11:45:47",""
"2312320","8.433","","13.424","","13.68","","108.22","","103.75","","107.49","","1305.6","","80","","293","2","","","","","","","","5","P -1","-P 1","2","BI-3812","1-(5-chloro-4-((8-methoxy-1-methyl-3-(2-(methylamino)-2-oxoethoxy)-2-oxo-1,2-dihydroquinolin-6-yl)amino)pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide","","- C26 H32 Cl N7 O5 -","- C52 H64 Cl2 N14 O10 -","- C52 H64 Cl2 N14 O10 -","1","0.5","","Gorelik, Tatiana E.; Lukat, Peer; Kleeberg, Christian; Blankenfeldt, Wulf; Mueller, Rolf","Molecular replacement for small-molecule crystal structure determination from X-ray and electron diffraction data with reduced resolution.","Acta crystallographica. Section A, Foundations and advances","2023","79","Pt 6","504","514","10.1107/S2053273323008458","","","0.0251","","","0.3847","0.3668","","","0.6942","0.7102","","","","","","3.613","","","","has coordinates","288122","2023-12-07","11:45:47",""
"2312321","7.2418","0.0004","28.0107","0.0009","7.3569","0.0004","90","","116.29","0.007","90","","1337.97","0.14","130","2","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(Dimethylamino)methylidene]-4-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5<i>H</i>)-one","","- C13 H12 F3 N3 O S -","- C13 H12 F3 N3 O S -","- C52 H48 F12 N12 O4 S4 -","4","1","OJ3012","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz","Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009087","","","1.54184","CuKα","","0.0792","0.0706","","","0.18","0.1855","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","287105","2023-10-25","02:09:00",""
"2312322","6.1727","0.0002","27.9473","0.0011","7.6297","0.0003","90","","90.123","0.004","90","","1316.2","0.08","130","2","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(Dimethylamino)methylidene]-4-{[4-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5<i>H</i>)-one","","- C13 H12 F3 N3 O S -","- C13 H11.112 F3 N3 O S -","- C52 H44.448 F12 N12 O4 S4 -","4","1","OJ3012","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz","Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009087","","","1.54184","CuKα","","0.0548","0.0528","","","0.14","0.1414","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","287105","2023-10-25","02:09:01",""
"2312323","7.8073","0.0009","9.8003","0.0011","10.79","0.0009","72.964","0.009","85.084","0.008","74.448","0.01","760.44","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Bromophenyl)-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-3-methyl-1<i>H</i>-pyrazole","","- C16 H16 Br N3 -","- C16 H16 Br N3 -","- C32 H32 Br2 N6 -","2","1","VX3003","Moreno-Suárez, Erika; Avila-Acosta, Rafael; Sánchez-Ramírez, Karen; Castillo, Juan Carlos; Macías, Mario A","Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009221","","","1.54184","CuKα","","0.0428","0.0382","","","0.0981","0.1048","","","","","","1.032","","","","has coordinates,has Fobs","287106","2023-10-25","02:09:47",""
"2312324","4.2854","","4.2854","","30.02341","","90","","90","","120","","477.5","","0","","0","","0","","0","","","","","3","R -3 m :H","-R 3 2""","166","","","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi6 S3 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312325","4.2701","","4.2701","","40.41287","","90","","90","","120","","638.155","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Aleksite 7 layer","- Bi4 Pb2 S4 Te4 -","- Bi2 Pb S2 Te2 -","- Bi6 Pb3 S6 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312326","4.27221","","4.27221","","80.7301","","90","","90","","120","","1276.06","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Aleksite 5.9 layer","- Bi4 Pb2 S4 Te4 -","- Bi2 Pb S2 Te2 -","- Bi12 Pb6 S12 Te12 -","6","0.166667","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312327","4.25788","","4.25788","","16.9431","","90","","90","","120","","266.018","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Saddlebackite 9 layer","- Bi4 Pb4 S6 Te4 -","- Bi2 Pb2 S3 Te2 -","- Bi2 Pb2 S3 Te2 -","1","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312328","4.26052","","4.26052","","33.81797","","90","","90","","120","","531.623","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Saddlebackite 7.11 layer","- Bi4 Pb4 S6 Te4 -","- Bi2 Pb2 S3 Te2 -","- Bi4 Pb4 S6 Te4 -","2","0.166667","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312329","4.25029","","4.25029","","61.24237","","90","","90","","120","","958.12","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Unnamed","- Bi4 Pb6 S8 Te4 -","- Bi2 Pb3 S4 Te2 -","- Bi6 Pb9 S12 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312330","4.24478","","4.24478","","71.45943","","90","","90","","120","","1115.07","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Unnamed","- Bi4 Pb8 S10 Te4 -","- Bi2 Pb4 S5 Te2 -","- Bi6 Pb12 S15 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312331","4.24282","","4.24282","","27.31123","","90","","90","","120","","425.776","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Hitachiite","- Bi4 Pb10 S12 Te4 -","- Bi2 Pb5 S6 Te2 -","- Bi2 Pb5 S6 Te2 -","1","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312332","4.24175","","4.24175","","92.27622","","90","","90","","120","","1437.84","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Unnamed","- Bi4 Pb12 S14 Te4 -","- Bi2 Pb6 S7 Te2 -","- Bi6 Pb18 S21 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312333","11.2435","0.0007","11.4038","0.0007","13.634","0.0007","74.278","0.005","75.995","0.005","84.642","0.005","1631.99","0.17","93","2","93.15","","","","","","","","","5","P -1","-P 1","2","","Dichloridobis[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>']ruthenium(II) dichloromethane disolvate","","- C32 H28 Cl6 N8 Ru -","- C32 H28 Cl6 N8 Ru -","- C64 H56 Cl12 N16 Ru2 -","2","1","DG3046","Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon","Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 12","491","496","10.1107/S2053229623009415","","","0.71073","MoKα","","0.1097","0.0606","","","0.0951","0.1079","","","","","","1.028","","","","has coordinates,has Fobs","288934","2024-01-07","11:48:25",""
"2312334","8.3209","0.0003","27.3213","0.001","15.7839","0.0006","90","","99.554","0.004","90","","3538.5","0.2","93","2","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>'][tris(pyridin-2-yl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridoantimonate chloroform monosolvate","","- C31 H25 Cl4 F6 N8 Ru Sb -","- C31 H25 Cl4 F6 N8 Ru Sb -","- C124 H100 Cl16 F24 N32 Ru4 Sb4 -","4","1","DG3046","Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon","Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 12","491","496","10.1107/S2053229623009415","","","0.71073","MoKα","","0.0829","0.0481","","","0.0739","0.0812","","","","","","1.081","","","","has coordinates,has Fobs","288934","2024-01-07","11:48:25",""
"2312335","12.8036","0.0006","14.9042","0.0008","5.9782","0.0003","90","","90.002","0.002","90","","1140.8","0.1","300","","300","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Fe H6 K3 O12 Te2 -","- Fe H4 K3 O12 Te2 -","- Fe4 H16 K12 O48 Te8 -","4","0.5","YV5013","Wolflehner, Tobias; Stöger, Berthold","Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","510","518","10.1107/S2052520623009162","","","0.71073","MoKα","","0.0259","0.0204","","","0.0431","0.0446","","","","","","1.012","","","","has coordinates,has Fobs","288123","2023-12-07","11:46:07",""
"2312336","12.766","0.0006","14.947","0.0006","5.9706","0.0002","90","","90.047","0.003","90","","1139.27","0.08","432","","432","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Fe H4.86 K3 O11.43 Te2 -","- Fe H4 K3 O11.43 Te2 -","- Fe4 H16 K12 O45.72 Te8 -","4","0.5","","Wolflehner, Tobias; Stöger, Berthold","Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","510","518","10.1107/S2052520623009162","","x-ray","0.71073","MoKα","","0.0466","0.037","","","0.0907","0.1011","","","","","","1.026","","","","has coordinates,has Fobs","288123","2023-12-07","11:46:07",""
"2312337","36.3","0.07","3.7804","0.0002","28.6","0.04","90","","129","0.3","90","","3050","15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","XK5102","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0677","0.0596","","","0.1523","0.1618","","","","","","1.053","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:36",""
"2312338","36.04","0.09","3.6849","0.0002","28.44","0.05","90","","128.7","0.3","90","","2948","15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0714","0.0548","","","0.1402","0.1466","","","","","","0.94","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:36",""
"2312339","35.81","0.07","3.6016","0.0002","28.27","0.04","90","","128.3","0.3","90","","2861","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0701","0.0576","","","0.1527","0.1587","","","","","","1.022","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:36",""
"2312340","35.61","0.07","3.5185","0.0002","28.11","0.04","90","","128","0.3","90","","2775","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0804","0.0757","","","0.2067","0.2137","","","","","","1.074","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312341","35.4","0.08","3.4511","0.0002","28.01","0.04","90","","127.8","0.3","90","","2704","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0856","0.0811","","","0.214","0.2196","","","","","","1.056","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312342","35.29","0.13","3.3723","0.0004","27.84","0.06","90","","127.2","0.4","90","","2639","18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.1384","0.1203","","","0.3228","0.3524","","","","","","1.329","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312343","36.468","0.005","3.8405","0.00011","28.701","0.007","90","","129.39","0.03","90","","3106.6","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.081","0.0628","","","0.1571","0.1684","","","","","","1.078","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312344","36.007","0.004","3.68425","0.00009","28.377","0.007","90","","128.63","0.03","90","","2940.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.0714","0.0561","","","0.1404","0.1504","","","","","","1.083","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312345","35.487","0.006","3.48553","0.00012","28.117","0.009","90","","128","0.04","90","","2740.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.0703","0.0563","","","0.1411","0.1498","","","","","","1.094","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312346","36.007","0.007","3.66703","0.00016","28.389","0.011","90","","128.68","0.04","90","","2926","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.0944","0.0695","","","0.1902","0.2064","","","","","","1.15","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312353","8.0045","0.0005","9.2035","0.0006","15.821","0.001","90.211","0.002","102.112","0.002","93.805","0.002","1136.88","0.13","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","1","","Zhang, Yanli; Liu, Hui; Chen, Zongxin; Meng, Jialei; Li, Yunfeng; Qi, Luyao; Zhang, Suiliang; Chen, Xiaofeng; Lei, Ming","A drug-drug cocrystal and a co-amorphous form, prepared from honokiol and ligustrazine, inspired by Chinese patent medicine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008648","","","0.71073","MoKα","","0.149","0.0692","","","0.1332","0.1748","","","","","","1.056","","","","has coordinates,has Fobs","287638","2023-11-16","02:55:58",""
"2312354","9.7566","0.0007","10.8671","0.0008","11.8861","0.0009","67.067","0.001","78.948","0.001","66.83","0.001","1065.92","0.14","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cd3 Cl2 N4 O10 -","- C40 H52 Cd3 Cl2 N4 O10 -","- C40 H52 Cd3 Cl2 N4 O10 -","1","0.5","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.025","0.0219","","","0.0528","0.0545","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","287639","2023-11-16","02:57:05",""
"2312355","23.447","0.002","14.4538","0.0013","8.7016","0.0007","90","","96.232","0.002","90","","2931.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H80 Cd2 N8 O20 -","- C44 H80 Cd2 N8 O20 -","- C88 H160 Cd4 N16 O40 -","2","0.25","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.0419","0.0326","","","0.0841","0.0901","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","287639","2023-11-16","02:57:08",""
"2312356","9.6423","0.0011","10.3812","0.0013","12.9847","0.0015","96.183","0.002","90.257","0.002","115.326","0.002","1166.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N4 O6 Zn -","- C24 H26 N4 O6 Zn -","- C48 H52 N8 O12 Zn2 -","2","1","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.0334","0.0281","","","0.0714","0.0735","","","","","","1.054","","","","has coordinates,has Fobs","287639","2023-11-16","02:57:08",""
"2312357","8.829","0.003","12.668","0.004","10.008","0.003","90","","97.302","0.006","90","","1110.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H26 Cu N4 O6 -","- C20 H26 Cu N4 O6 -","- C40 H52 Cu2 N8 O12 -","2","0.25","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.0541","0.0464","","","0.1087","0.1128","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","287639","2023-11-16","02:57:08",""
"2312358","7.6217","0.0002","23.4434","0.0006","20.6877","0.0006","90","","90","","90","","3696.45","0.17","300.7","0.2","300.7","0.2","","","","","","","","3","C m c m","-C 2c 2","63","","Hexatriacontaaluminium hexadecaruthenium decasilicon","","- Al36.29 Ru16.1 Si10.46 -","- Al36.291 Ru16.1038 Si10.4582 -","- Al145.164 Ru64.4152 Si41.8328 -","4","0.25","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0215","0.0152","","","0.03","0.0316","","","","","","1.042","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:13",""
"2312359","10.4479","0.0002","10.4479","0.0002","19.6774","0.0004","90","","90","","120","","1860.19","0.06","295.9","0.2","295.9","0.2","","","","","","","","3","R -3 :H","-R 3","148","","Docosaaluminium nonaruthenium decasilicon","","- Al22.4 Ru9 Si9.6 -","- Al22.4 Ru9 Si9.6 -","- Al67.2 Ru27 Si28.8 -","3","0.166667","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0144","0.0126","","","0.0232","0.0237","","","","","","1.08","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:20",""
"2312360","15.0794","0.0002","11.8713","0.0002","16.9291","0.0003","90","","90","","90","","3030.51","0.08","297.5","0.3","297.5","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","Heptacosaaluminium decaruthenium tridecasilicon","","- Al27.17 Ru10 Si13.48 -","- Al27.174 Ru10 Si13.48 -","- Al108.696 Ru40 Si53.92 -","4","0.5","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0222","0.0151","","","0.0248","0.0261","","","","","","1.013","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:36",""
"2312361","6.20079","0.00008","6.20079","0.00008","9.6937","0.0002","90","","90","","90","","372.721","0.01","296.6","0.3","296.6","0.3","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Trialuminium ruthenium disilicon","","- Al2.83 Ru Si2.17 -","- Al2.832 Ru Si2.168 -","- Al11.328 Ru4 Si8.672 -","4","0.125","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0105","0.0094","","","0.0211","0.0214","","","","","","1.208","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:54",""
"2312362","8.63058","0.00014","8.79888","0.00015","17.462","0.0003","90","","90","","90","","1326.05","0.04","300.7","0.2","300.7","0.2","","","","","","","","3","C m c m","-C 2c 2","63","","Tetraaluminium diruthenium pentasilicon","","- Al4.09 Ru2 Si4.91 -","- Al4.09 Ru2 Si4.91 -","- Al32.72 Ru16 Si39.28 -","8","0.5","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0111","0.0105","","","0.0268","0.027","","","","","","1.311","","","","has coordinates,has Fobs","287825","2023-11-28","07:33:14",""
"2312363","15.0191","0.0003","8.304","0.0002","23.9862","0.0005","90","","95.8239","0.0019","90","","2976.08","0.11","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.2/0.8)","","- C10 H16 Cl2 Co0.2 N4 Zn0.8 -","- C10 H16 Cl2 Co0.2 N4 Zn0.8 -","- C80 H128 Cl16 Co1.6 N32 Zn6.4 -","8","1","DG3048","Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek","An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","12","520","529","10.1107/S2053229623010021","","","0.71073","MoKα","","0.0402","0.0284","","","0.0694","0.0754","","","","","","1.036","","","","has coordinates,has Fobs","287917","2023-12-01","02:58:44",""
"2312364","8.2698","0.0002","8.406","0.0002","10.3062","0.0002","84.826","0.002","69.156","0.002","87.133","0.002","666.7","0.03","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^1^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^-bis[bromido/chlorido(0.7/0.3)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.1/0.9)]","","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","1","0.5","DG3048","Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek","An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","12","520","529","10.1107/S2053229623010021","","","0.71073","MoKα","","0.0343","0.0266","","","0.0709","0.0746","","","","","","1.047","","","","has coordinates,has Fobs","287917","2023-12-01","02:59:42",""
"2312386","8.196","0.0007","10.4671","0.0011","14.7926","0.0014","105.254","0.004","92.903","0.003","90.356","0.004","1222.5","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Bis[bis(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i>^1^)iron(II) dihydrate","","- C20 H18 Fe N16 O2 -","- C20 H18 Fe N16 O2 -","- C40 H36 Fe2 N32 O4 -","2","1","HB8076","Saadallah, Yaakoub; Setifi, Zouaoui; Jelsch, Christian; Setifi, Fatima; Al-Douh, Mohammed Hadi; Satour, Achouak; Glidewell, Christopher","Racemic <i>cis</i>-bis-[bis-(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i><sup>1</sup>)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","936","941","10.1107/S2056989023008186","","","0.71073","MoKα","","0.069","0.0669","","","0.1565","0.1573","","","","","","1.119","","","","has coordinates,has Fobs","289229","2024-01-31","03:21:47",""
"2312387","12.3055","0.0008","12.1464","0.0008","14.9763","0.0009","90","","99.509","0.001","90","","2207.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cyclo</i>-Tetrabromido-1κ^2^<i>Br</i>,3κ^2^<i>Br</i>-tetrakis(μ~2~-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ^3^<i>N</i>,<i>S</i>:<i>S</i>)tetramercury(II)","","- C32 H44 Br4 Hg4 N8 S4 -","- C32 H44 Br4 Hg4 N8 S4 -","- C64 H88 Br8 Hg8 N16 S8 -","2","0.5","YZ2039","Thomas, Isla D.; Kocher, Kathryn R.; Viehweg, Julie A.; Pike, Robert D.; Bebout, Deborah C.","Crystal structure and Hirshfeld surface analysis of <i>cyclo</i>-tetra-bromido-1κ<sup>2</sup><i>Br</i>,3κ<sup>2</sup><i>Br</i>-tetra-kis-(μ<sub>2</sub>-2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol-ato-κ<sup>3</sup><i>N</i>,<i>S</i>:<i>S</i>)tetra-mercury(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","952","957","10.1107/S205698902300823X","","","0.71073","MoKα","","0.0183","0.0159","","","0.0335","0.0341","","","","","","1.183","","","","has coordinates,has Fobs","289230","2024-01-31","03:22:09",""
"2312388","12.7195","0.0009","10.281","0.003","36.735","0.003","90","","90","","90","","4803.8","1.5","180","0.1","180","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{3-(3,4-dimethoxyphenyl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-\ 1,2,4-triazol-3-ato}iron(II)–methanol–chloroform (1/2/2)","","- C40 H40 Cl6 Fe N12 O6 -","- C40 H40 Cl6 Fe N12 O6 -","- C160 H160 Cl24 Fe4 N48 O24 -","4","0.5","TX2075","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis-{3-(3,4-di-meth-oxy-phen-yl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II)-methanol-chloro-form (1/2/2).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","962","966","10.1107/S2056989023008423","","x-ray","0.71073","MoKα","","0.159","0.0791","","","0.1178","0.1446","","","","","","1.034","","","","has coordinates,has Fobs","289231","2024-01-31","03:22:37",""
"2312389","10.9679","0.0005","16.924","0.0007","13.3536","0.0005","90","","114.015","0.001","90","","2264.15","0.16","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(II)","","- C54 H42 Cl4 Fe N6 -","- C54 H42 Cl4 Fe N6 -","- C108 H84 Cl8 Fe2 N12 -","2","0.5","HB8075","Nasri, Soumaya","Synthesis and crystal structure of bis-(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ<sup>4</sup><i>N</i>]iron(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","931","935","10.1107/S2056989023008083","","","0.71073","MoKα","","0.0542","0.0333","","","0.0733","0.083","","","","","","1.047","","","","has coordinates,has Fobs","289232","2024-01-31","03:23:01",""
"2312390","5.483","0.0007","6.4533","0.0011","12.171","0.002","87.274","0.005","85.912","0.005","82.629","0.009","425.69","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","1,4-Diiodoperchlorobenzene–naphthalene (1/1)","1,2,4,5-Tetrachloro-3,6-diiodobenzene–naphthalene (1/1)","","- C16 H8 Cl4 I2 -","- C16 H8 Cl4 I2 -","- C16 H8 Cl4 I2 -","1","0.5","JY2037","Bosch, Eric; Reinheimer, Eric W.; Unruh, Daniel K.; Groeneman, Ryan H.","Co-crystal sustained by π-type halogen-bonding inter-actions between 1,4-di-iodo-perchloro-benzene and naphthalene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","958","961","10.1107/S2056989023008356","","","0.71073","MoKα","","0.0172","0.0167","","","0.0376","0.0379","","","","","","1.09","","","","has coordinates,has Fobs","289233","2024-01-31","03:23:26",""
"2312391","12.113","0.0007","7.3062","0.0004","14.0441","0.0008","90","","91.589","0.002","90","","1242.42","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1-phenylpropane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate","","- C18 H36 Cl2 N4 Ni O4 -","- C18 H32 Cl2 N4 Ni O4 -","- C36 H64 Cl4 N8 Ni2 O8 -","2","0.5","WM5696","Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan","Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of <i>trans</i>-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","967","971","10.1107/S2056989023008538","","","0.71073","MoKα","","0.0783","0.0607","","","0.1285","0.14","","","","","","1.076","","","","has coordinates,has Fobs","289234","2024-01-31","03:23:56",""
"2312392","8.9681","0.0011","7.9033","0.0009","12.498","0.0016","90","","90.254","0.006","90","","885.82","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Indium dilead pentachloride","","- Cl10 In2 Pb4 -","- Cl10 In2 Pb4 -","- Cl20 In4 Pb8 -","2","0.5","PK2694","Lewis, Michael P.; Kandel, Ramjee; Schatte, Gabriele; Wang, Peng L.","Growth and characterization of a new inorganic metal-halide crystal structure, InPb<sub>2</sub>Cl<sub>5</sub>.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","942","945","10.1107/S2056989023007892","","x-ray","0.71073","MoKα","","0.0262","0.0208","","","0.0394","0.0419","","","","","","1.079","","","","has coordinates,has Fobs","289235","2024-01-31","03:24:16",""
"3000277","8.4537","0.0004","10.9203","0.0005","18.0807","0.0012","90","","90.945","0.003","90","","1668.93","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Au Cl N O P -","- C17 H14 Au Cl N O P -","- C68 H56 Au4 Cl4 N4 O4 P4 -","4","1","","Daniel Kratzert","","Personal communication to COD","2023","","","","","","","x-ray","0.71073","MoKα","","0.0147","0.0131","","","0.029","0.0296","","","","","","1.146","","","","has coordinates,has Fobs","285197","2023-07-13","11:34:54",""
"3000424","10.759","","5.2","","12.76","","90","","90.67","","90","","713.832","","79","","79","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N3 O2 -","- C6 H8 N3 O2 -","- C24 H32 N12 O8 -","4","1","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Nishizawa, Tomohiro; Kurisu, Genji","Microcrystal electron diffraction (MicroED) structure determination of a mechanochemically synthesized co-crystal not affordable from solution crystallization","CrystEngComm","2023","","","","","10.1039/D2CE01522F","","","0.02508","electrons","","0.1822","0.112","","","0.299","0.3195","","","","","","1.026","","","","has coordinates","280265","2023-01-10","03:55:24",""
"3000425","3.56288","0.00009","11.50615","0.0003","4.37149","0.00012","90","","90","","90","","179.209","0.008","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O5.19 V2 -","- O5.19342 V2 -","- O10.3868 V4 -","2","0.25","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates","280392","2023-01-17","17:14:05",""
"3000426","3.56442","0.00008","11.51144","0.00027","4.37362","0.00015","90","","90","","90","","179.457","0.008","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.54 V -","- O2.54122 V -","- O10.1649 V4 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.65","","","","","","","has coordinates","280393","2023-01-17","17:15:15",""
"3000427","3.56462","0.00012","11.512","0.0005","4.37445","0.00025","90","","90","","90","","179.51","0.014","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.41 V0.88 -","- O2.41139 V0.88015 -","- O9.64556 V3.5206 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.61","","","","","","","has coordinates","280394","2023-01-17","17:15:55",""
"3000428","3.5641","0.00006","11.51208","0.00022","4.37296","0.0001","90","","90","","90","","179.423","0.006","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.54 V -","- O2.53894 V -","- O10.1557 V4 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.6","","","","","","","has coordinates","280395","2023-01-17","17:16:37",""
"3000429","3.56414","0.00004","11.51106","0.00015","4.37148","0.00006","90","","90","","90","","179.349","0.004","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O10.04 V4.01 -","- O10.037 V4.0086 -","- O10.037 V4.0086 -","1","0.125","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.62","","","","","","","has coordinates","280396","2023-01-17","17:17:42",""
"3000430","3.56457","0.00004","11.51194","0.00016","4.37263","0.00007","90","","90","","90","","179.431","0.004","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","V2O5","","","- O2.44 V0.96 -","- O2.43697 V0.95915 -","- O9.74788 V3.8366 -","4","0.5","","Correal, Sergio; Hernandez-Gomez, Daniel; Esquivel, Andrea Steffania; Cardona-Rodriguez, Alexander; Reiber, Andreas; Gonzalez-Hernandez, Rafael; Ramirez, Juan Gabriel","Tuning electronic and magnetic properties through disorder in V2O5 nanoparticles","Personal communication to COD","2023","","","","","","powder diffraction","","","","","","","","","","","","","1.53","","","","","","","has coordinates","280397","2023-01-17","17:18:31",""
"3000434","5.3318","0.0001","5.56744","0.0001","7.63787","0.00013","90","","90","","90","","226.726","0.007","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Cr0.5 Fe0.5 Gd O3 -","- Cr0.5 Fe0.5 Gd O3 -","- Cr2 Fe2 Gd4 O12 -","4","0.5","","Young Jai Choi","'Giant and highly anisotropic magnetocaloric effects in single crystals of disordered-perovskite R Cr 0.5 Fe 0.5 O 3 (R= Gd, Er)'","Personal communication to COD","2023","","","","","","powder diffraction","","","X-ray","","","","","","","","","2.0851","","","","","","","","has coordinates","282111","2023-03-29","08:10:08",""
"3000435","5.2411","0.0002","5.5451","0.0002","7.5496","0.0003","90","","90","","90","","219.41","0.014","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Cr0.5 Er Fe0.5 O3 -","- Cr0.5 Er Fe0.5 O3 -","- Cr2 Er4 Fe2 O12 -","4","0.5","","Young Jai Choi","' Giant and highly anisotropic magnetocaloric effects in single crystals of disordered-perovskite RCr 0.5 Fe 0.5 O 3 (R= Gd, Er)'","Personal communication to COD","2023","","","","","","powder diffraction","","","X-ray","","","","","","","","","3.715","","","","","","","","has coordinates","282114","2023-03-29","08:24:48",""
"3000438","10.914","","8.223","","10.386","","90","","87.44","","90","","931.17","","79","","79","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N4 O4 S -","- C19 H22 N4 O4 S -","- C38 H44 N8 O8 S2 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1371","0.1097","","","0.2921","0.3026","","","","","","1.126","","","","has coordinates","285948","2023-09-01","06:37:39",""
"3000439","8.3239","0.0004","9.8354","0.0005","14.1883","0.0007","78.613","0.002","80.88","0.003","87.127","0.003","1124.11","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N4 O5 S -","- C22 H30 N4 O5 S -","- C44 H60 N8 O10 S2 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.71073","MoKα","","0.0534","0.042","","","0.1186","0.1268","","","","","","1.102","","","","has coordinates","285949","2023-09-01","07:36:43",""
"3000440","11.718","","14.498","","14.742","","90","","106.84","","90","","2397.08","","79","","79","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N5 O4 S -","- C23 H29 N5 O4 S -","- C92 H116 N20 O16 S4 -","4","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1942","0.1565","","","0.3468","0.3685","","","","","","1.136","","","","has coordinates","285951","2023-09-01","07:40:27",""
"3000441","10.815","","12.611","","16.549","","90","","90","","90","","2257.08","","79","","79","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 N2 O S -","- C12 H10 N2 O S -","- C96 H80 N16 O8 S8 -","8","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1727","0.1377","","","0.3347","0.3488","","","","","","1.211","","","","has coordinates","285950","2023-09-01","07:38:31",""
"3000442","6.605","","8.935","","15.061","","104.04","","97.6","","97.5","","842.398","","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H26 N2 O9 -","- C13 H26 N2 O9 -","- C26 H52 N4 O18 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.2214","0.1475","","","0.4024","0.42","","","","","","1.195","","","","has coordinates","285952","2023-09-01","07:42:51",""
"3000452","2.7117","","2.7117","","28.776899","","90","","90","","120","","183.256","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289141","2024-01-19","08:01:16",""
"3000453","2.71133","","2.71133","","28.5112","","90","","90","","120","","181.514","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289146","2024-01-19","08:07:50",""
"3000454","2.71174","","2.71174","","28.8244","","90","","90","","120","","183.564","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289142","2024-01-19","08:03:12",""
"3000455","5.05475","","5.05475","","38.8242","","90","","90","","120","","859.078","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289147","2024-01-19","08:08:40",""
"3000456","5.05492","","5.05492","","38.818501","","90","","90","","120","","859.009","","0","","0","","0","","0","","","","","4","P 3 1 m","P 3 -2","157","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289143","2024-01-19","08:04:02",""
"3000457","5.05489","","5.05489","","38.844898","","90","","90","","120","","859.583","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H12 Mg9 O12 -","- C8 H12 Mg9 O12 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289148","2024-01-19","08:09:33",""
"3000458","5.0348","","5.0348","","39.130699","","90","","90","","120","","859.039","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289144","2024-01-19","08:05:10",""
"3000459","5.0346","","5.0346","","39.133801","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289145","2024-01-19","08:06:13",""
"3000460","5.03492","","5.03492","","39.128799","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289149","2024-01-19","08:10:18",""
"3000461","5.02417","","5.02417","","39.2957","","90","","90","","120","","859.022","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289150","2024-01-19","08:10:59",""
"3000462","5.03172","","5.03172","","39.178001","","90","","90","","120","","859.025","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289151","2024-01-19","08:12:32",""
"3000463","5.03194","","5.03194","","39.171398","","90","","90","","120","","858.955","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289152","2024-01-19","08:13:32",""
"3500133","5.6107","0.0002","9.2303","0.0004","39.4699","0.0015","90","","90","","90","","2044.08","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Empagliflozin","2-[4-chloro-3-({4-[(oxolan-3-yl)oxy]phenyl}methyl) phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","","- C23 H27 Cl O7 -","- C23 H27 Cl O7 -","- C92 H108 Cl4 O28 -","4","1","","Thierry Maris","Empagliflozin","Personal communication to COD","2023","","","","","","","x-ray","1.34139","GaKα","","0.0356","0.0285","","","0.0622","0.0648","","","","","","1.059","","","","has coordinates,has Fobs","280103","2023-01-04","13:45:50",""
"3500134","4.556","0.0003","14.1107","0.0009","15.5164","0.001","90","","90.534","0.002","90","","997.48","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexane-1,6-diammonium dichloride","","","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","- C24 H72 Cl8 N8 -","4","1","","Thierry Maris","Hexane-1,6-diammonium dichloride at 100 K Refinement using NoSpherA2, an implementation of NOn-SPHERical Atom-form-factors in Olex2","Personal communication to COD","2023","","","","","","","x-ray","1.34139","GaKα","","0.0221","0.0219","","","0.0554","0.0556","","","","","","1.0623","","","","has coordinates,has Fobs","280250","2023-01-08","13:07:44",""
"3500135","11.71","0.0005","22.0828","0.001","7.7088","0.0004","90","","107.487","0.002","90","","1901.29","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenylmethanaminium hexane-1-6-diaminium trichloride","","","- C13 H28 Cl3 N3 -","- C13 H28 Cl3 N3 -","- C52 H112 Cl12 N12 -","4","1","","Thierry Maris","phenylmethanaminium hexane-1-6-diaminium trichloride","Personal communication to COD","2023","","","","","","","x-ray","1.34139","GaKα","","0.0671","0.0565","","","0.1544","0.1617","","","","","","1.028","","","","has coordinates,has Fobs","280251","2023-01-08","13:15:45",""
"3500136","7.4381","0.0008","28.138","0.003","6.0551","0.0006","90","","90","","90","","1267.3","0.2","295","","295","","","","","","","","","4","C c c 2","C 2 -2c","37","4,4'-Diiodobenzophenone","","","- C13 H8 I2 O -","- C13 H8 I2 O -","- C52 H32 I8 O4 -","4","0.5","","Maris, Thierry; Arseneault, Mathieu; Wuest, James D.","4,4'-Diiodobenzophenone","Personal communication to COD","2023","","","","","","","","1.54178","CuKα","","0.0365","0.0362","","","0.1013","0.1019","","","","","","1.056","","","","has coordinates,has Fobs","282024","2023-03-23","15:37:23",""
"3500137","6.4154","0.0001","11.0904","0.0002","6.2922","0.0001","90","","109.511","0.002","90","","421.979","0.013","229.99","0.1","229.99","0.1","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Cl3 In -","- Cl3 In -","- Cl12 In4 -","4","0.5","","Patrick Schmidt; Elaheh Bayat; Markus Stroebele; H.-Juergen Meyer","","Personal communication to COD","2023","","","","","","","x-ray","0.71073","MoKα","","0.0064","0.0064","","","0.0158","0.0158","","","","","","1.169","","","","has coordinates","286928","2023-10-12","10:26:06",""
"4004091","13.9144","0.0004","8.3502","0.0003","5.0557","0.0002","90","","90","","90","","587.41","0.04","294","2","294","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu2 O7 Si2 -","- Eu2 O7 Si2 -","- Eu8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.016","0.0151","","","0.0336","0.0341","","","","","","1.246","","","","has coordinates","282895","2023-04-28","08:40:08",""
"4004092","13.85","0.004","8.291","0.002","5.0507","0.0013","90","","90","","90","","580","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 O7 Si2 -","- Gd2 O7 Si2 -","- Gd8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0743","0.0361","","","0.0595","0.0713","","","","","","1.063","","","","has coordinates","282896","2023-04-28","08:45:19",""
"4004093","13.817","0.006","8.244","0.004","5.0348","0.0018","90","","90","","90","","573.5","0.4","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O7 Si2 Tb2 -","- O7 Si2 Tb2 -","- O28 Si8 Tb8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0284","0.0256","","","0.0563","0.0573","","","","","","1.355","","","","has coordinates","282897","2023-04-28","08:46:37",""
"4004094","13.725","0.0005","8.2019","0.0002","5.03","0.0002","90","","90","","90","","566.23","0.03","294","2","294","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy2 O7 Si2 -","- Dy2 O7 Si2 -","- Dy8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0216","0.0211","","","0.0411","0.0414","","","","","","1.453","","","","has coordinates","282898","2023-04-28","08:48:00",""
"4004095","13.6575","0.0008","8.1544","0.0005","5.0191","0.0004","90","","90","","90","","558.97","0.07","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho2 O7 Si2 -","- Ho2 O7 Si2 -","- Ho8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0441","0.0263","","","0.0481","0.0524","","","","","","1.042","","","","has coordinates","282899","2023-04-28","08:50:18",""
"4004096","5.3877","0.0002","8.5212","0.0004","12.8536","0.0006","90.422","0.004","91.616","0.004","92.247","0.004","589.4","0.04","299","2","299","2","","","","","","","","3","P -1","-P 1","2","","","","- Eu2 O7 Si2 -","- Eu2 O7 Si2 -","- Eu8 O28 Si8 -","4","2","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0678","0.0549","","","0.1601","0.1668","","","","","","1.089","","","","has coordinates","282900","2023-04-28","08:52:38",""
"4004097","5.381","0.0009","8.537","0.0014","12.855","0.002","90.173","0.004","90.746","0.004","91.451","0.004","590.29","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O28 Si8 Sm8 -","4","2","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.1234","0.0718","","","0.1512","0.1846","","","","","","1.031","","","","has coordinates","282901","2023-04-28","09:10:28",""
"4004098","5.4134","0.0001","8.799","0.0003","13.1858","0.0004","90","","90.515","0.002","90","","628.05","0.03","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- La2 O7 Si2 -","- La2 O7 Si2 -","- La8 O28 Si8 -","4","1","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0289","0.0257","","","0.0567","0.0581","","","","","","1.065","","","","has coordinates","282902","2023-04-28","09:13:14",""
"4039019","5.5075","0.0016","5.6395","0.0015","19.524","0.006","90","","93.936","0.009","90","","605","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C24 H30 N2 O6 S2 -","2","1","","Joyeux, Benjamin; Gamet, Antoine; Casaretto, Nicolas; Nay, Bastien","Asymmetric synthesis of a stereopentade fragment toward latrunculins","Beilstein Journal of Organic Chemistry","2023","19","","428","433","10.3762/bjoc.19.32","","","0.71073","MoKα","","0.1064","0.0832","","","0.2167","0.2346","","","","","","1.078","","","","has coordinates,has disorder","282631","2023-04-14","01:54:22",""
"4039021","9.4236","0.0006","14.5883","0.001","9.7872","0.0007","90","","94.083","0.003","90","","1342.07","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-diaminobenzene-1,3-diaminium 2,5-diaminobenzene-1,4-diaminium dichloride","","- C6 H12 Cl2 N4 -","- C6 H12 Cl2 N4 -","- C36 H72 Cl12 N24 -","6","1.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0587","0.0458","","","0.1313","0.1429","","","","","","1.11","","","","has coordinates,has Fobs","288033","2023-12-05","13:40:16",""
"4039022","8.0533","0.0003","9.6682","0.0003","7.3499","0.0003","90","","90","","90","","572.27","0.04","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","","bensene-1,2,4,5-tetraaminium tetrachloride","","- C6 H14 Cl4 N4 -","- C6 H14 Cl4 N4 -","- C12 H28 Cl8 N8 -","2","0.25","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0224","0.0224","","","0.0562","0.0562","","","","","","1.121","","","","has coordinates,has Fobs","288034","2023-12-05","13:40:42",""
"4039023","10.7151","0.001","7.784","0.0008","7.291","0.0008","90","","90","","90","","608.12","0.11","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","3,6-Diiminocyclohexa-1,4-diene-1,4-diamine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.54178","CuKα","","0.0676","0.0537","","","0.1456","0.1543","","","","","","1.228","","","","has coordinates,has Fobs","288035","2023-12-05","13:40:54",""
"4039024","5.3141","0.0002","7.3724","0.0003","11.3921","0.0005","90","","99.436","0.001","90","","440.28","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Diaminocyclohexa-2,5-diene-1,4-diiminium Dichloride","","- C6 H10 Cl2 N4 -","- C6 H10 Cl2 N4 -","- C12 H20 Cl4 N8 -","2","0.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0361","0.0287","","","0.0756","0.076","","","","","","1.108","","","","has coordinates,has Fobs","288036","2023-12-05","13:41:21",""
"4039025","7.7694","0.0005","5.5029","0.0003","7.4694","0.0005","90","","101.064","0.004","90","","313.41","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Benzene-1,2,4,5-tetraamine","","- C6 H10 N4 -","- C6 H10 N4 -","- C12 H20 N8 -","2","0.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0608","0.0475","","","0.1215","0.1283","","","","","","1.071","","","","has coordinates,has Fobs","288037","2023-12-05","13:42:16",""
"4350820","11.9718","0.0003","6.8227","0.0002","16.7881","0.0004","90","","93.46","0.001","90","","1368.75","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","heptakis(aqua)-(1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato)-neodymium(iii)","","- C6 H14 N7 Nd O10 -","- C6 H14 N7 Nd O10 -","- C24 H56 N28 Nd4 O40 -","4","1","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0229","0.0227","","","0.0606","0.0607","","","","","","1.051","","","","has coordinates,has Fobs","287834","2023-11-28","18:29:48",""
"4350821","11.4684","0.0003","12.9539","0.0003","20.1278","0.0005","90","","90","","90","","2990.2","0.13","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","catena-[bis(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -tetrakis(aqua)-neodymium(iii) tetrahydrate]","","- C6 H8 N7 Nd O7 -","- C6 H8 N7 Nd O7 -","- C48 H64 N56 Nd8 O56 -","8","1","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0452","0.045","","","0.1077","0.108","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","287835","2023-11-28","18:30:03",""
"4350822","8.6409","0.0002","8.6409","0.0002","20.1002","0.0006","90","","90","","90","","1500.78","0.07","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","catena-[(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -diaqua-neodymium(iii) N,N-dimethylformamide solvate]","","- C6 H4 N7 Nd O5 -","- C6 H4 N7 Nd O5 -","- C24 H16 N28 Nd4 O20 -","4","0.5","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0466","0.0465","","","0.1321","0.1321","","","","","","1.062","","","","has coordinates,has Fobs","287836","2023-11-28","18:30:14",""
"4519437","8.2901","0.0002","18.8144","0.0005","5.7082","0.0001","90","","90","","90","","890.33","0.04","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]thiophene 0.78:0.22","","- C12.78 H9.57 S0.22 -","- C12.784 H9.568 S0.216 -","- C51.136 H38.272 S0.864 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0381","0.037","","","0.0989","0.1001","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","280093","2023-01-04","13:32:44",""
"4519438","7.6368","0.0004","18.9566","0.0013","5.798","0.0004","90","","90","","90","","839.36","0.09","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.23:0.77","","- C12 H8 O0.77 S0.23 -","- C12 H8 O0.77 S0.23 -","- C48 H32 O3.08 S0.92 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0518","0.0503","","","0.1443","0.1469","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","280094","2023-01-04","13:32:58",""
"4519439","8.0978","0.0003","18.8577","0.0008","5.7063","0.0002","90","","90","","90","","871.39","0.06","100","","100.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]furan 0.69:0.31","","- C12.69 H9.37 O0.31 -","- C12.684 H9.368 O0.316 -","- C50.736 H37.472 O1.264 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","","1.54178","CuKα","","0.0581","0.0558","","","0.155","0.1578","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","280095","2023-01-04","13:33:14",""
"4519440","7.7875","0.0003","18.9102","0.0008","5.8053","0.0003","90","","90","","90","","854.91","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.46:0.54","","- C12 H8 O0.54 S0.46 -","- C12 H8 O0.545 S0.455 -","- C48 H32 O2.18 S1.82 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0374","0.0365","","","0.0996","0.1008","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","280096","2023-01-04","13:33:27",""
"4519441","7.8867","0.0005","18.8866","0.0012","5.8042","0.0004","90","","90","","90","","864.55","0.1","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.59:0.41","","- C12 H8 O0.41 S0.59 -","- C12 H8 O0.409 S0.591 -","- C48 H32 O1.636 S2.364 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0409","0.0388","","","0.1065","0.1091","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","280097","2023-01-04","13:33:50",""
"4519442","7.9749","0.0003","18.9409","0.0006","5.7813","0.0002","90","","90","","90","","873.28","0.05","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:9H-carbazole 0.62:0.38","","- C12 H8.38 N0.38 S0.62 -","- C12 H8.375 N0.375 S0.625 -","- C48 H33.5 N1.5 S2.5 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0333","0.0329","","","0.0871","0.0874","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","280098","2023-01-04","13:34:05",""
"4519443","7.9686","0.0003","18.8543","0.0006","5.806","0.0002","90","","90","","90","","872.31","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.73:0.27","","- C12 H8 O0.27 S0.73 -","- C12 H8 O0.274 S0.726 -","- C48 H32 O1.096 S2.904 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.032","0.0319","","","0.0855","0.0857","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","280099","2023-01-04","13:34:27",""
"4519444","8.0114","0.0007","18.8298","0.0016","5.8063","0.0005","90","","90","","90","","875.9","0.13","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.79:0.21","","- C12 H8 O0.21 S0.79 -","- C12 H8 O0.206 S0.794 -","- C48 H32 O0.824 S3.176 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0404","0.0381","","","0.1019","0.1044","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","280100","2023-01-04","13:34:41",""
"4519445","8.0589","0.0002","18.8454","0.0004","5.7503","0.0001","90","","90","","90","","873.32","0.03","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.45:0.32:0.23","","- C12.45 H8.91 O0.23 S0.32 -","- C12.46 H8.92 O0.22 S0.321 -","- C49.84 H35.68 O0.88 S1.284 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0355","0.0347","","","0.0936","0.0945","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","280101","2023-01-04","13:34:54",""
"4519446","8.0529","0.0008","18.8619","0.0017","5.8033","0.0004","90","","90","","90","","881.48","0.13","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","dibenzothiophene","dibenzo[b,d]thiophene","","- C12 H8 S -","- C12 H8 S -","- C48 H32 S4 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0471","0.0427","","","0.1074","0.1101","","","","","","1.07","","","","has coordinates,has Fobs","280102","2023-01-04","13:35:17",""
"4519448","13.7562","0.0006","6.327","0.0003","7.105","0.0003","90","","90","","90","","618.39","0.05","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","Paraquat Dichloride","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride)","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","0.25","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0307","0.0301","","","0.0857","0.0865","","","","","","1.136","","","","has coordinates,has Fobs","287197","2023-11-01","18:34:31",""
"4519449","9.1413","0.0004","10.7906","0.0005","15.999","0.0007","90","","90","","90","","1578.14","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","Paraquat Dichloride Hydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride) hydrate","","- C12 H19.26 Cl2 N2 O2.63 -","- C12 H19.26 Cl2 N2 O2.631 -","- C48 H77.04 Cl8 N8 O10.524 -","4","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.051","0.0487","","","0.1341","0.1371","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","287198","2023-11-01","18:38:58",""
"4519450","6.9981","0.0002","9.7148","0.0003","11.2832","0.0004","107.163","0.001","100.17","0.001","93.123","0.001","716.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","Paraquat Dichloride Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium dichloride dihydrate","","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","- C24 H36 Cl4 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.026","0.0246","","","0.0756","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","287199","2023-11-01","18:41:32",""
"4519451","9.0643","0.0002","16.0149","0.0003","11.2228","0.0002","90","","108.852","0.001","90","","1541.75","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Dichloride Trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride) trihydrate","","- C12 H20 Cl2 N2 O3 -","- C12 H20 Cl2 N2 O3 -","- C48 H80 Cl8 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0262","0.0259","","","0.0748","0.0751","","","","","","1.081","","","","has coordinates,has Fobs","287200","2023-11-01","18:43:17",""
"4519452","5.9183","0.0002","8.0344","0.0002","13.4237","0.0004","90","","96.191","0.001","90","","634.57","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paraquat Dibromide","1,1'-dimethyl-4,4'-bipyridin-1-ium dibromide","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.54178","CuKα","","0.0188","0.0188","","","0.051","0.051","","","","","","1.154","","","","has coordinates,has Fobs","287201","2023-11-01","18:45:13",""
"4519453","7.149","0.0002","10.0023","0.0003","11.546","0.0003","107.877","0.001","101.122","0.001","93.657","0.001","764.28","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","Paraquat Dibromide Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium dibromide dihydrate","","- C12 H18 Br2 N2 O2 -","- C12 H18 Br2 N2 O2 -","- C24 H36 Br4 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0198","0.0195","","","0.0522","0.0524","","","","","","1.077","","","","has coordinates,has Fobs","287202","2023-11-01","18:46:34",""
"4519454","6.106","0.0003","8.1616","0.0004","14.2115","0.0007","90","","95.985","0.002","90","","704.37","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C24 H28 I4 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0244","0.022","","","0.0544","0.0555","","","","","","1.078","","","","has coordinates,has Fobs","287203","2023-11-01","18:48:07",""
"4519455","13.9258","0.0005","7.9087","0.0003","6.3902","0.0002","90","","94.888","0.002","90","","701.22","0.04","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C24 H28 I4 N4 -","2","0.25","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0311","0.0292","","","0.0717","0.0728","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","287204","2023-11-01","18:49:55",""
"4519456","13.5615","0.0004","14.2021","0.0004","14.7328","0.0004","90","","90","","90","","2837.56","0.14","150","","150","","","","","","","","","4","C m c e","-C 2ac 2","64","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C96 H112 I16 N16 -","8","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0293","0.028","","","0.0736","0.0747","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","287205","2023-11-01","18:51:29",""
"4519457","6.1017","0.0003","8.1493","0.0004","14.2107","0.0007","90","","95.985","0.003","90","","702.77","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 1.87:0.13","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br0.13 I1.87 N2 -","- C12 H14 Br0.13 I1.87 N2 -","- C24 H28 Br0.26 I3.74 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0273","0.0246","","","0.0646","0.067","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","287206","2023-11-01","18:53:02",""
"4519458","6.0357","0.0003","8.141","0.0003","13.9228","0.0006","90","","95.912","0.002","90","","680.48","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 1.21:0.79","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br0.79 I1.21 N2 -","- C12 H14 Br0.792 I1.208 N2 -","- C24 H28 Br1.584 I2.416 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0236","0.0209","","","0.0512","0.0532","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","287207","2023-11-01","18:55:19",""
"4519459","6.0376","0.0004","8.1443","0.0005","13.9403","0.0008","90","","95.874","0.003","90","","681.87","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodie Bromide 1.19:0.81","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br0.81 I1.19 N2 -","- C12 H14 Br0.806 I1.194 N2 -","- C24 H28 Br1.612 I2.388 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0398","0.0388","","","0.1099","0.111","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","287208","2023-11-01","18:56:59",""
"4519460","6.0008","0.0004","8.1403","0.0006","13.7931","0.0009","90","","95.87","0.003","90","","670.24","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.88:1.12","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.11 I0.89 N2 -","- C12 H14 Br1.112 I0.888 N2 -","- C24 H28 Br2.224 I1.776 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0411","0.0373","","","0.1041","0.1074","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","287209","2023-11-01","18:58:36",""
"4519461","5.964","0.0005","8.1119","0.0007","13.6647","0.0012","90","","95.946","0.004","90","","657.53","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.54:1.46","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.46 I0.54 N2 -","- C12 H14 Br1.456 I0.544 N2 -","- C24 H28 Br2.912 I1.088 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.051","0.0478","","","0.1275","0.1305","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","287210","2023-11-01","19:01:40",""
"4519462","5.9498","0.0004","8.0945","0.0006","13.5611","0.001","90","","96.045","0.003","90","","649.48","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.36:1.64","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.64 I0.36 N2 -","- C12 H14 Br1.638 I0.362 N2 -","- C24 H28 Br3.276 I0.724 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0255","0.0232","","","0.0596","0.061","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","287211","2023-11-01","19:02:47",""
"4519463","9.12","0.0005","16.0291","0.0009","11.3082","0.0006","90","","109.244","0.002","90","","1560.72","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.35:1.65 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.35 Cl1.65 N2 O3 -","- C12 H20 Br0.3505 Cl1.6495 N2 O3 -","- C48 H80 Br1.402 Cl6.598 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0378","0.0333","","","0.084","0.0873","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","287212","2023-11-01","19:04:03",""
"4519464","9.1298","0.0003","16.0379","0.0005","11.3215","0.0003","90","","109.233","0.001","90","","1565.2","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.41:1.59 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.41 Cl1.59 N2 O3 -","- C12 H20 Br0.4105 Cl1.5895 N2 O3 -","- C48 H80 Br1.642 Cl6.358 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0253","0.0234","","","0.0673","0.0686","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","287213","2023-11-01","19:05:20",""
"4519465","9.1539","0.0004","16.0477","0.0007","11.3448","0.0005","90","","109.414","0.002","90","","1571.78","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.49:1.51 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.49 Cl1.51 N2 O3 -","- C12 H20 Br0.4905 Cl1.5095 N2 O3 -","- C48 H80 Br1.962 Cl6.038 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0257","0.0243","","","0.0678","0.0693","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","287214","2023-11-01","19:06:44",""
"4519466","9.1584","0.0003","16.0593","0.0006","11.3496","0.0004","90","","109.389","0.001","90","","1574.6","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.52:1.48 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.52 Cl1.48 N2 O3 -","- C12 H20 Br0.5212 Cl1.4788 N2 O3 -","- C48 H80 Br2.0848 Cl5.9152 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0238","0.0232","","","0.0678","0.0685","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","287215","2023-11-01","19:08:02",""
"4519467","9.1681","0.0003","16.0667","0.0005","11.3762","0.0004","90","","109.49","0.001","90","","1579.71","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.59:1.41 Trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.59 Cl1.41 N2 O3 -","- C12 H20 Br0.5895 Cl1.4105 N2 O3 -","- C48 H80 Br2.358 Cl5.642 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0269","0.0262","","","0.07","0.0707","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","287216","2023-11-01","19:09:26",""
"4519468","9.1756","0.0003","16.2905","0.0005","11.4825","0.0003","90","","109.322","0.001","90","","1619.67","0.08","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.67:1.33 Trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.68 Cl1.33 N2 O3 -","- C12 H20 Br0.674 Cl1.326 N2 O3 -","- C48 H80 Br2.696 Cl5.304 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0293","0.0258","","","0.0702","0.0729","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","287217","2023-11-01","19:11:12",""
"4519469","5.9881","0.0006","8.1142","0.0008","13.7856","0.0014","90","","95.975","0.005","90","","666.18","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.73:1.27","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.27 I0.73 N2 -","- C12 H14 Br1.268 I0.732 N2 -","- C24 H28 Br2.536 I1.464 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0525","0.0464","","","0.1215","0.1268","","","","","","1.134","","","","has coordinates,has disorder,has Fobs","287218","2023-11-01","19:14:37",""
"4519470","5.9125","0.0002","8.0749","0.0003","13.4343","0.0006","90","","96.173","0.002","90","","637.67","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 1.85:0.15","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride","","- C12 H14 Br1.85 Cl0.15 N2 -","- C12 H14 Br1.854 Cl0.146 N2 -","- C24 H28 Br3.708 Cl0.292 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0187","0.0176","","","0.0523","0.0531","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","287219","2023-11-01","19:16:55",""
"4519471","5.8291","0.0002","8.1043","0.0003","13.1926","0.0005","90","","96.133","0.002","90","","619.66","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 1:1","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride","","- C12 H14 Br Cl N2 -","- C12 H14 Br0.996 Cl1.004 N2 -","- C24 H28 Br1.992 Cl2.008 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0289","0.0231","","","0.0566","0.0586","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","287220","2023-11-01","19:18:42",""
"4519472","7.0732","0.0002","9.8786","0.0003","11.4345","0.0003","107.616","0.001","100.811","0.001","93.396","0.001","742.22","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","Paraquat Bromide Chloride 0.98:1.02 Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride dihydrate","","- C12 H18 Br0.98 Cl1.02 N2 O2 -","- C12 H18 Br0.984 Cl1.016 N2 O2 -","- C24 H36 Br1.968 Cl2.032 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0284","0.0273","","","0.0719","0.0725","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","287221","2023-11-01","19:20:56",""
"4519473","7.0591","0.0003","9.8488","0.0004","11.3976","0.0005","107.438","0.001","100.588","0.001","93.427","0.001","737.52","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","Paraquat Bromide Chloride 0.74:1.26 Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride dihydrate","","- C12 H18 Br0.74 Cl1.26 N2 O2 -","- C12 H18 Br0.739 Cl1.261 N2 O2 -","- C24 H36 Br1.478 Cl2.522 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.025","0.0247","","","0.0669","0.0671","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","287222","2023-11-01","19:23:27",""
"4519474","6.4293","0.0004","7.6672","0.0005","18.4558","0.0012","90","","93.007","0.003","90","","908.52","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-diaminobenzene-1,4-diammonium sulfate","","- C6 H12 N4 O4 S -","- C6 H12 N4 O4 S -","- C24 H48 N16 O16 S4 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0522","0.0451","","","0.1135","0.1191","","","","","","1.067","","","","has coordinates,has Fobs","288085","2023-12-06","15:34:09",""
"4519475","7.604","0.0004","33.9391","0.0019","9.6678","0.0005","90","","90.578","0.003","90","","2494.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-aminobenzene-1,2,4-triammonium sesquikis(sulfate) dihydrate","","- C12 H34 N8 O16 S3 -","- C12 H34 N8 O16 S3 -","- C48 H136 N32 O64 S12 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.1082","0.0971","","","0.2158","0.2216","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","288086","2023-12-06","15:34:27",""
"4519476","9.2289","0.0006","17.9408","0.0012","7.3308","0.0005","90","","104.825","0.003","90","","1173.38","0.14","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","5-aminobenzene-1,2,4-triammonium hydrogen disulfate","","- C6 H14 N4 O8 S2 -","- C6 H14 N4 O8 S2 -","- C24 H56 N16 O32 S8 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0302","0.0291","","","0.0742","0.0752","","","","","","0.999","","","","has coordinates,has Fobs","288087","2023-12-06","15:34:50",""
"4519477","7.448","0.0005","9.8087","0.0007","17.1698","0.0011","83.536","0.004","81.86","0.004","81.853","0.004","1223.68","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","5-aminobenzene-1,2,4-triammonium hydrogen disulfate","","- C6 H14 N4 O8 S2 -","- C6 H14 N4 O8 S2 -","- C24 H56 N16 O32 S8 -","4","2","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0847","0.0599","","","0.158","0.177","","","","","","1.073","","","","has coordinates,has Fobs","288088","2023-12-06","15:35:12",""
"4519478","7.4291","0.0003","16.7187","0.0006","7.1695","0.0003","90","","100.443","0.002","90","","875.74","0.06","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","benzene-1,2,4,5-tetrakis(ammonium) tetrakis(hydrogen sulfate)","","- C6 H18 N4 O16 S4 -","- C6 H18 N4 O16 S4 -","- C12 H36 N8 O32 S8 -","2","0.25","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.54178","CuKα","","0.0516","0.0506","","","0.1242","0.1251","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","288089","2023-12-06","15:35:33",""
"4519479","9.3639","0.0003","8.0701","0.0002","10.3114","0.0003","90","","90.497","0.001","90","","779.18","0.04","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","benzene-1,2,4,5-tetrakis(ammonium) bis(hydrogen sulfate) sulfate","","- C6 H16 N4 O12 S3 -","- C6 H16 N4 O12 S3 -","- C12 H32 N8 O24 S6 -","2","0.5","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0386","0.0386","","","0.0971","0.0972","","","","","","1.126","","","","has coordinates,has disorder,has Fobs","288090","2023-12-06","15:35:51",""
"7062065","13.1963","0.0006","13.925","0.0007","15.1757","0.0005","85.183","0.003","86.395","0.003","62.322","0.005","2459.9","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H138 Dy2 O14 P2 -","- C92 H138 Dy2 O14 P2 -","- C92 H138 Dy2 O14 P2 -","1","0.5","","Yan, Han; Che, Zi-Wei; Sun, Wen-Bin","Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate","New Journal of Chemistry","2023","47","1","140","146","10.1039/D2NJ03544H","","x-ray","0.71073","MoKα","","0.0921","0.0487","","","0.0716","0.0805","","","","","","0.923","","","","has coordinates,has disorder","281495","2023-03-04","18:28:46",""
"7062066","11.0522","0.0005","12.2463","0.0004","12.2833","0.0005","116.775","0.004","94.703","0.003","90.557","0.003","1477.24","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 O16 P2 Tb2 -","- C56 H70 O16 P2 Tb2 -","- C56 H70 O16 P2 Tb2 -","1","0.5","","Yan, Han; Che, Zi-Wei; Sun, Wen-Bin","Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate","New Journal of Chemistry","2023","47","1","140","146","10.1039/D2NJ03544H","","x-ray","0.71073","MoKα","","0.0458","0.0326","","","0.0561","0.0591","","","","","","0.978","","","","has coordinates","281495","2023-03-04","18:28:46",""
"7062067","11.0237","0.0006","12.2222","0.0006","12.2882","0.0006","116.833","0.005","94.712","0.004","90.589","0.004","1470.29","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Dy2 O16 P2 -","- C56 H70 Dy2 O16 P2 -","- C56 H70 Dy2 O16 P2 -","1","0.5","","Yan, Han; Che, Zi-Wei; Sun, Wen-Bin","Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate","New Journal of Chemistry","2023","47","1","140","146","10.1039/D2NJ03544H","","x-ray","0.71073","MoKα","","0.0365","0.0295","","","0.0583","0.0614","","","","","","1.038","","","","has coordinates","281495","2023-03-04","18:28:46",""
"7062068","11.1109","0.0007","12.267","0.0008","12.2742","0.0009","116.611","0.007","94.872","0.006","90.557","0.005","1488.2","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Eu2 O16 P2 -","- C56 H70 Eu2 O16 P2 -","- C56 H70 Eu2 O16 P2 -","1","0.5","","Yan, Han; Che, Zi-Wei; Sun, Wen-Bin","Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate","New Journal of Chemistry","2023","47","1","140","146","10.1039/D2NJ03544H","","x-ray","0.71073","MoKα","","0.0804","0.0535","","","0.1109","0.1177","","","","","","0.961","","","","has coordinates","281495","2023-03-04","18:28:46",""
"7062069","11.0947","0.0006","12.2688","0.0007","12.3032","0.0007","116.703","0.006","94.714","0.004","90.564","0.004","1488.97","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Gd2 O16 P2 -","- C56 H70 Gd2 O16 P2 -","- C56 H70 Gd2 O16 P2 -","1","0.5","","Yan, Han; Che, Zi-Wei; Sun, Wen-Bin","Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate","New Journal of Chemistry","2023","47","1","140","146","10.1039/D2NJ03544H","","x-ray","0.71073","MoKα","","0.0775","0.0443","","","0.051","0.0544","","","","","","0.907","","","","has coordinates","281495","2023-03-04","18:28:46",""
"7062070","15.1425","0.0007","19.2903","0.0012","19.2838","0.0009","90","","95.401","0.004","90","","5607.9","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H72 Dy O7 P -","- C51 H72 Dy O7 P -","- C204 H288 Dy4 O28 P4 -","4","1","","Yan, Han; Che, Zi-Wei; Sun, Wen-Bin","Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate","New Journal of Chemistry","2023","47","1","140","146","10.1039/D2NJ03544H","","x-ray","0.71073","MoKα","","0.12","0.0854","","","0.2483","0.2807","","","","","","1.056","","","","has coordinates,has disorder","281495","2023-03-04","18:28:46",""
"7062074","12.2949","0.0003","9.7","0.0002","14.6302","0.0003","90","","110.841","0.001","90","","1630.65","0.06","100","2","100","2","","","","","","","Ypsilandra thibetica Franch","3","P 1 21 1","P 2yb","4","","(23R,24S)-5α-cholest-16β,23:18,23-diepoxy-3β,24-diol-6-one-24-O-β-D-fucopyranoside","","- C34 H56 O10 -","- C34 H56 O10 -","- C68 H112 O20 -","2","1","","Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang","Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica","New Journal of Chemistry","2023","47","1","324","332","10.1039/D2NJ04576A","","","1.54178","CuKα","","0.028","0.0279","","","0.0702","0.0703","","","","","","1.046","","","","has coordinates","281493","2023-03-04","18:28:28",""
"7062075","6.7073","0.0001","11.6828","0.0003","38.5757","0.0008","90","","90","","90","","3022.79","0.11","100","2","100","2","","","","","","","Ypsilandra thibetica Franch","3","P 21 21 21","P 2ac 2ab","19","","(23R,24S)-5α-cholest-16β,23-epoxy-23,24-(β-D-arabinopyranose-2,1-di-O-yl)-3β-ol-6-one","","- C32 H52 O9 -","- C32 H52 O9 -","- C128 H208 O36 -","4","1","","Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang","Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica","New Journal of Chemistry","2023","47","1","324","332","10.1039/D2NJ04576A","","","1.54178","CuKα","","0.0479","0.0372","","","0.0845","0.0898","","","","","","1.041","","","","has coordinates","281493","2023-03-04","18:28:28",""
"7062076","12.0479","0.0003","7.6358","0.0002","17.988","0.0005","90","","94.955","0.001","90","","1648.63","0.08","100","2","100","2","","","","","","","Ypsilandra thibetica Franch","3","P 1 21 1","P 2yb","4","18-hydroxylypsilanogenin","(23R,24S)-5α-cholest-16β,23-epoxy-23,24-(β-D-fucopyranose-2,1-di-O-yl)-3β,18-diol-6-one","","- C34 H58 O11 -","- C34 H58 O11 -","- C68 H116 O22 -","2","1","","Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang","Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica","New Journal of Chemistry","2023","47","1","324","332","10.1039/D2NJ04576A","","","1.54178","CuKα","","0.0289","0.0285","","","0.0726","0.0731","","","","","","1.056","","","","has coordinates","281493","2023-03-04","18:28:28",""
"7062081","10.1752","0.0004","11.3986","0.0004","15.2282","0.0005","96.7636","0.0015","100.68","0.0015","108.634","0.0014","1614.65","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 N2 O2 S2 Zn -","- C34 H40 N2 O2 S2 Zn -","- C68 H80 N4 O4 S4 Zn2 -","2","1","","Roy, Sourav Singha; Sarkar, Sriparna; Antharjanam, P. K. Sudhadevi; Chakraborty, Debashis","Mononuclear Zn(ii) compounds supported by iminophenolate proligands binding in the bidentate (N, O) and tridentate (N, O, S) coordination mode: synthesis, characterization and polymerization studies","New Journal of Chemistry","2023","47","2","635","652","10.1039/D2NJ03982F","","","0.71073","MoKα","","0.0414","0.035","","","0.0945","0.0993","","","","","","1.045","","","","has coordinates","281525","2023-03-04","18:33:29",""
"7062082","22.809","0.012","4.548","0.002","13.993","0.007","90","","127.01","0.014","90","","1159.1","1","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H18 Cl2 N2 O2 S2 Zn -","- C24 H18 Cl2 N2 O2 S2 Zn -","- C48 H36 Cl4 N4 O4 S4 Zn2 -","2","0.5","","Roy, Sourav Singha; Sarkar, Sriparna; Antharjanam, P. K. Sudhadevi; Chakraborty, Debashis","Mononuclear Zn(ii) compounds supported by iminophenolate proligands binding in the bidentate (N, O) and tridentate (N, O, S) coordination mode: synthesis, characterization and polymerization studies","New Journal of Chemistry","2023","47","2","635","652","10.1039/D2NJ03982F","","","0.71073","MoKα","","0.0546","0.0453","","","0.1152","0.1216","","","","","","1.042","","","","has coordinates,has disorder","281525","2023-03-04","18:33:29",""
"7062083","7.3553","0.0004","14.8367","0.0006","10.3066","0.0005","90","","110.81","0.05","90","","1051.4","0.4","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","iron bromopyridine pentacyanonitrosilferrates (II)","","- C15 Br2 Fe2 N8 O -","- C15 Br2 Fe2 N8 O -","- C30 Br4 Fe4 N16 O2 -","2","1","","Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment","New Journal of Chemistry","2023","47","1","238","249","10.1039/D2NJ05141A","","","","","","","","","","","","","","","","","","","","","has coordinates","281497","2023-03-04","18:29:00",""
"7062084","7.3377","0.0005","14.8736","0.0007","10.2039","0.0005","90","","110.55","0.03","90","","1042.8","0.2","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","iron cloropyridine pentacyanonitrosilferrates (II)","","- C15 Cl2 Fe2 N8 O -","- C15 Cl2 Fe2 N8 O -","- C30 Cl4 Fe4 N16 O2 -","2","1","","Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment","New Journal of Chemistry","2023","47","1","238","249","10.1039/D2NJ05141A","","","","","","","","","","","","","","","","","","","","","has coordinates","281497","2023-03-04","18:29:01",""
"7062085","7.3881","0.0007","14.7798","0.0006","10.5338","0.0007","90","","110.4","0.05","90","","1078.1","0.4","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","iron 4-iodopyridine pentacyanonitrosilferrates (II)","","- C15 Fe2 I2 N8 O -","- C15 Fe2 I2 N8 O -","- C30 Fe4 I4 N16 O2 -","2","1","","Avila, Y.; Mojica, R.; Vázquez, M. C.; Sánchez, L.; González, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin-crossover in the Fe(4X-pyridine)2[Fe(CN)5NO] series with X = Cl, Br, and I. Role of the distortion for the iron atom coordination environment","New Journal of Chemistry","2023","47","1","238","249","10.1039/D2NJ05141A","","","","","","","","","","","","","","","","","","","","","has coordinates","281497","2023-03-04","18:29:01",""
"7062086","9.827","0.002","10.722","0.003","10.954","0.003","86.422","0.012","80.972","0.009","73.54","0.012","1093","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cd I4 N4 -","- C14 H16 Cd I4 N4 -","- C28 H32 Cd2 I8 N8 -","2","1","","Somnath,; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","A multifunctional [CdI4]2−·[H2Bimb]2+ complex to probe high performance photocatalytic degradation of methyl violet and fluorescent detection of Cr2O72− and Hg2+ ions","New Journal of Chemistry","2023","47","1","342","361","10.1039/D2NJ04957K","","","0.71073","MoKα","","0.04","0.0381","","","0.099","0.1008","","","","","","1.0425","","","","has coordinates","281494","2023-03-04","18:28:33",""
"7062089","17.1896","0.0003","5.8026","0.0001","20.7903","0.0004","90","","110.598","0.002","90","","1941.15","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Chen, Li; Huang, Huangjiang; Luo, Benlong; Liu, Jinggong; Yang, Shuang; Fang, Xinqiang","Catalytic synthesis of seven-membered carbocycles via ring expansion of cyclic β-ketoesters","New Journal of Chemistry","2023","47","1","41","45","10.1039/D2NJ03473E","","","1.3405","GaKα","","0.0464","0.0397","","","0.1072","0.1116","","","","","","1.102","","","","has coordinates","281496","2023-03-04","18:28:54",""
"7062090","8.6573","0.0007","10.0811","0.0007","12.3197","0.0011","84.259","0.007","69.811","0.008","69.254","0.007","943.41","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C46 H40 O10 -","2","1","","Chen, Li; Huang, Huangjiang; Luo, Benlong; Liu, Jinggong; Yang, Shuang; Fang, Xinqiang","Catalytic synthesis of seven-membered carbocycles via ring expansion of cyclic β-ketoesters","New Journal of Chemistry","2023","47","1","41","45","10.1039/D2NJ03473E","","","1.3405","GaKα","","0.0355","0.0339","","","0.0849","0.0861","","","","","","1.052","","","","has coordinates","281496","2023-03-04","18:28:54",""
"7062091","9.4483","0.0001","9.97","0.0001","9.7662","0.0002","90","","118.501","0.002","90","","808.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N0 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Chen, Li; Huang, Huangjiang; Luo, Benlong; Liu, Jinggong; Yang, Shuang; Fang, Xinqiang","Catalytic synthesis of seven-membered carbocycles via ring expansion of cyclic β-ketoesters","New Journal of Chemistry","2023","47","1","41","45","10.1039/D2NJ03473E","","","1.3405","GaKα","","0.0352","0.0335","","","0.0804","0.0813","","","","","","1.042","","","","has coordinates","281496","2023-03-04","18:28:54",""
"7062092","6.593","","15.2549","0.0001","17.5307","0.0001","90","","93.182","0.001","90","","1760.44","0.015","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Chen, Li; Huang, Huangjiang; Luo, Benlong; Liu, Jinggong; Yang, Shuang; Fang, Xinqiang","Catalytic synthesis of seven-membered carbocycles via ring expansion of cyclic β-ketoesters","New Journal of Chemistry","2023","47","1","41","45","10.1039/D2NJ03473E","","","1.3405","GaKα","","0.0445","0.0378","","","0.0962","0.0989","","","","","","1.037","","","","has coordinates","281496","2023-03-04","18:28:54",""
"7062115","14.8443","0.0004","12.8796","0.0004","20.9625","0.0007","90","","90","","90","","4007.8","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl2 Fe N2 P2 Pt2 -","- C44 H52 Cl2 Fe N2 P2 Pt2 -","- C176 H208 Cl8 Fe4 N8 P8 Pt8 -","4","0.5","","Zangeneh, Jalalaldin; Saghaie, Lotfollah; Etebari, Mahmoud; Dolatyari, Vahideh; Farasat, Zahra; Fereidoonnezhad, Masood; Shahsavari, Hamid R.","Binuclear platinum(ii) complexes bearing various bridging 1,1′-diphosphinoferrocene ligands as potential anticancer agents: synthesis and biological evaluation","New Journal of Chemistry","2023","47","2","931","940","10.1039/D2NJ05303A","","","0.71073","MoKα","","0.0221","0.0213","","","0.0596","0.0601","","","","","","1.005","","","","has coordinates","281522","2023-03-04","18:33:12",""
"7062116","9.0061","0.0008","30.535","0.003","10.3235","0.0009","90","","109.756","0.003","90","","2671.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Cl4 Fe N2 P2 Pt2 -","- C56 H68 Cl2 Fe N2 P2 Pt2 -","- C112 H136 Cl4 Fe2 N4 P4 Pt4 -","2","0.5","","Zangeneh, Jalalaldin; Saghaie, Lotfollah; Etebari, Mahmoud; Dolatyari, Vahideh; Farasat, Zahra; Fereidoonnezhad, Masood; Shahsavari, Hamid R.","Binuclear platinum(ii) complexes bearing various bridging 1,1′-diphosphinoferrocene ligands as potential anticancer agents: synthesis and biological evaluation","New Journal of Chemistry","2023","47","2","931","940","10.1039/D2NJ05303A","","","0.71073","MoKα","","0.0237","0.0224","","","0.0533","0.054","","","","","","1.083","","","","has coordinates,has disorder","281522","2023-03-04","18:33:12",""
"7062117","8.6168","0.0003","19.1651","0.0007","16.7109","0.0007","90","","93.221","0.001","90","","2755.31","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl2 Cu N5 O8 -","- C25 H27 Cl2 Cu N5 O8 -","- C100 H108 Cl8 Cu4 N20 O32 -","4","1","","Harmalkar, Sarvesh S.; Chari, Vishnu R.; Kunkalekar, Rohan K.; Dhuri, Sunder N.","Structure–function correlation of mononuclear nonheme copper(ii) compounds based on a ligand backbone effect and phenoxazinone synthase activity","New Journal of Chemistry","2023","47","4","1852","1860","10.1039/D2NJ04859K","","","0.71073","MoKα","","0.0611","0.0469","","","0.1311","0.145","","","","","","1.057","","","","has coordinates","281520","2023-03-04","18:32:55",""
"7062118","8.8978","0.0002","12.9429","0.0003","13.0536","0.0003","89.505","0.001","71.26","0.001","74.536","0.001","1367.17","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 Cu N5 O8 -","- C24 H25 Cl2 Cu N5 O8 -","- C48 H50 Cl4 Cu2 N10 O16 -","2","1","","Harmalkar, Sarvesh S.; Chari, Vishnu R.; Kunkalekar, Rohan K.; Dhuri, Sunder N.","Structure–function correlation of mononuclear nonheme copper(ii) compounds based on a ligand backbone effect and phenoxazinone synthase activity","New Journal of Chemistry","2023","47","4","1852","1860","10.1039/D2NJ04859K","","","0.71073","MoKα","","0.0651","0.0517","","","0.1479","0.1617","","","","","","1.035","","","","has coordinates","281520","2023-03-04","18:32:55",""
"7062119","7.9842","0.0003","18.7164","0.0007","15.8121","0.0005","90","","92.417","0.003","90","","2360.79","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N3 O10 -","- C24 H23 N3 O10 -","- C96 H92 N12 O40 -","4","1","","Kang, Lu-Lu; Zuo, Shuai-Wu; Han, Bing-Xue; Li, Gang","Comparative study on proton conductivity of a polypyridinyl multicarboxylate-based hydrogen-bonded organic framework and related chitosan composite membrane","New Journal of Chemistry","2023","47","3","1299","1307","10.1039/D2NJ04779A","","x-ray","1.54184","CuKα","","0.0899","0.0658","","","0.1769","0.2002","","","","","","1.029","","","","has coordinates","281546","2023-03-04","18:37:15",""
"7062120","9.017","0.0011","11.7369","0.0015","17.176","0.002","70.454","0.004","81.368","0.004","75.963","0.004","1657.1","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H17 F2 N O3 -","- C18 H17 F2 N O3 -","- C72 H68 F8 N4 O12 -","4","2","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0741","0.0468","","","0.1316","0.1511","","","","","","0.977","","","","has coordinates,has disorder","281492","2023-03-04","18:28:18",""
"7062121","13.8094","0.001","12.1986","0.0009","19.1371","0.0015","90","","99.043","0.003","90","","3183.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 S -","- C22 H14 N2 S -","- C176 H112 N16 S8 -","8","2","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0868","0.0477","","","0.099","0.114","","","","","","1.036","","","","has coordinates","281492","2023-03-04","18:28:19",""
"7062122","8.2771","0.0003","13.4367","0.0006","15.936","0.0006","95.339","0.001","93.965","0.001","99.893","0.002","1731.86","0.12","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C43 H24 Cl2 N2 O6 S2 -","- C43 H24 Cl2 N2 O6 S2 -","- C86 H48 Cl4 N4 O12 S4 -","2","1","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0885","0.0591","","","0.1502","0.1717","","","","","","0.988","","","","has coordinates,has disorder","281492","2023-03-04","18:28:19",""
"7062123","13.651","0.002","5.9725","0.0011","13.013","0.002","90","","90.997","0.006","90","","1060.8","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl F2 N O -","- C12 H8 Cl F2 N O -","- C48 H32 Cl4 F8 N4 O4 -","4","1","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0295","0.0283","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates","281492","2023-03-04","18:28:19",""
"7062124","11.5846","0.0009","7.0406","0.0005","21.0857","0.0013","90","","101.424","0.002","90","","1685.7","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O3 -","- C18 H19 F2 N O3 -","- C72 H76 F8 N4 O12 -","4","1","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0647","0.043","","","0.1244","0.1431","","","","","","0.84","","","","has coordinates","281492","2023-03-04","18:28:19",""
"7062125","8.8473","0.0009","9.7021","0.0009","10.1837","0.001","66.774","0.003","69.333","0.004","77.281","0.003","748.26","0.13","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H13 N S -","- C21 H13 N S -","- C42 H26 N2 S2 -","2","1","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.119","0.0991","","","0.2687","0.2889","","","","","","1.06","","","","has coordinates","281492","2023-03-04","18:28:19",""
"7062126","13.664","0.002","8.7402","0.0015","18.815","0.004","90","","90","","90","","2247","0.7","150","2","150","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C12 H7 Br Cl N O -","- C12 H7 Br Cl N O -","- C96 H56 Br8 Cl8 N8 O8 -","8","2","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0893","0.0564","","","0.1482","0.1784","","","","","","1.047","","","","has coordinates,has disorder","281492","2023-03-04","18:28:19",""
"7062127","12.1509","0.0009","12.4816","0.0006","16.36","0.0008","95.525","0.004","100.998","0.005","106.255","0.005","2308.6","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H36 B2 F8 Fe N14 O -","- C50 H36 B2 F8 Fe N14 O -","- C100 H72 B4 F16 Fe2 N28 O2 -","2","1","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","1.54186","CuKα","","0.185","0.1486","","","0.3858","0.4314","","","","","","1.108","","","","has coordinates","281543","2023-03-04","18:36:53",""
"7062128","10.5322","0.0004","11.0246","0.0004","12.4797","0.0004","103.4","0.003","106.838","0.003","112.929","0.003","1175.7","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 N16 O2 -","- C56 H48 N16 O2 -","- C56 H48 N16 O2 -","1","0.5","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","1.54186","CuKα","","0.0568","0.0443","","","0.1264","0.132","","","","","","1.085","","","","has coordinates,has disorder","281543","2023-03-04","18:36:53",""
"7062129","8.0886","0.0002","14.0373","0.0004","13.5453","0.0004","90","","96.285","0.002","90","","1528.72","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 -","- C19 H15 N5 -","- C76 H60 N20 -","4","1","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","1.54186","CuKα","","0.0396","0.0353","","","0.1125","0.116","","","","","","0.983","","","","has coordinates","281543","2023-03-04","18:36:53",""
"7062130","10.1146","0.0005","11.3094","0.0005","15.8785","0.0007","89.644","0.004","73.862","0.004","74.458","0.004","1676.39","0.14","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C72 H52 N20 -","4","2","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","1.54186","CuKα","","0.0577","0.037","","","0.087","0.0957","","","","","","0.922","","","","has coordinates","281543","2023-03-04","18:36:53",""
"7062131","12.3214","0.0006","15.2951","0.0008","21.4537","0.0011","90","","96.579","0.002","90","","4016.5","0.4","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B2 F8 Fe N10 O4 -","- C38 H36 B2 F8 Fe N10 O4 -","- C152 H144 B8 F32 Fe4 N40 O16 -","4","1","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","0.71073","MoKα","","0.0575","0.0479","","","0.1348","0.1431","","","","","","1.05","","","","has coordinates","281543","2023-03-04","18:36:53",""
"7062132","13.2426","0.0004","14.0283","0.0004","15.6093","0.0005","76.494","0.002","87.725","0.003","82.131","0.002","2792.93","0.15","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54.25 H41.5 F5.25 Fe N15 O8 S1.75 -","- C54.25 H41.5 F5.25 Fe N15 O8 S1.75 -","- C108.5 H83 F10.5 Fe2 N30 O16 S3.5 -","2","1","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","1.54186","CuKα","","0.172","0.0853","","","0.2278","0.2766","","","","","","0.946","","","","has coordinates,has disorder","281543","2023-03-04","18:36:53",""
"7062133","13.2329","0.0001","16.5051","0.0001","17.5087","0.0001","90","","92.72","0.001","90","","3819.77","0.04","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl2 Fe N10 O8 -","- C36 H26 Cl2 Fe N10 O8 -","- C144 H104 Cl8 Fe4 N40 O32 -","4","1","","Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan","Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization","New Journal of Chemistry","2023","47","3","1488","1497","10.1039/D2NJ04774H","","","1.54186","CuKα","","0.0481","0.0474","","","0.1349","0.1358","","","","","","1.017","","","","has coordinates","281543","2023-03-04","18:36:53",""
"7062134","15.5439","0.0009","13.3273","0.0006","13.7634","0.0007","90","","98.924","0.005","90","","2816.7","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H21 Cu2 N6 Na O12 -","- C26 H21 Cu2 N6 Na O12 -","- C104 H84 Cu8 N24 Na4 O48 -","4","1","","da Silva, Rafaela M. R.; Rosa, Iara M. L.; Oliveira, Willian X. C.; Alves, Odivaldo C.; Santos, Evelyn C. S.; Garcia, Flávio; Silva Junior, Henrique C.; Ferreira, Glaucio B.; Guedes, Guilherme P.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda","Carbon dioxide uptake by [Cu(bpca)]+: synthesis, crystal structure, and magnetic properties of {[Na(H2O)2][Cu2(bpca)2(CO3)(HCO3)]}n [Hbpca = bis(2-pyridylcarbonyl)amide]","New Journal of Chemistry","2023","47","3","1066","1075","10.1039/D2NJ05268G","","","0.71073","MoKα","","0.0662","0.0494","","","0.0975","0.1064","","","","","","1.078","","","","has coordinates","281542","2023-03-04","18:36:39",""
"7062135","9.1852","0.0007","12.9336","0.0007","13.8984","0.0008","96.688","0.002","100.159","0.002","92.89","0.002","1609.9","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H29 Ir N4 O5 S -","- C38 H29 Ir N4 O5 S -","- C76 H58 Ir2 N8 O10 S2 -","2","1","","Paziresh, Sareh; Aghakhanpour, Reza Babadi; Shahsavari, Hamid R.; Dolatyari, Vahideh; Ara, Irene; Nabavizadeh, S. Masoud","Phosphorescent cyclometalated Ir(iii) complexes comprising chelating thiolate ligands as pH-activatable sensors","New Journal of Chemistry","2023","47","3","1378","1387","10.1039/D2NJ05209A","","","0.71073","MoKα","","0.0306","0.0284","","","0.0787","0.0796","","","","","","1.412","","","","has coordinates","281544","2023-03-04","18:37:00",""
"7062136","9.1594","0.0001","13.8302","0.0002","14.2302","0.0002","95.228","0.001","101.461","0.001","97.684","0.001","1737.92","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Ir N3 O4 S2 -","- C41 H28 Ir N3 O4 S2 -","- C82 H56 Ir2 N6 O8 S4 -","2","1","","Paziresh, Sareh; Aghakhanpour, Reza Babadi; Shahsavari, Hamid R.; Dolatyari, Vahideh; Ara, Irene; Nabavizadeh, S. Masoud","Phosphorescent cyclometalated Ir(iii) complexes comprising chelating thiolate ligands as pH-activatable sensors","New Journal of Chemistry","2023","47","3","1378","1387","10.1039/D2NJ05209A","","","0.71073","MoKα","","0.0141","0.014","","","0.0351","0.0352","","","","","","1.126","","","","has coordinates,has disorder","281544","2023-03-04","18:37:00",""
"7062137","10.5186","0.0013","11.1996","0.0014","11.4763","0.0014","67.964","0.004","89.955","0.004","69.998","0.004","1164.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Au F18 N10 P3 -","- C36 H38 Au F18 N10 P3 -","- C36 H38 Au F18 N10 P3 -","1","0.5","","Maity, Lakshmikanta; Barik, Sahadev; Kisan, Hemanta K.; Jana, Abhimanyu; Isab, Anvarhusein A.; Dinda, Joydev","‘Optimized route’ to synthesize isoelectronic and isostructural Au(iii)- and Pt(ii)-NHC complexes: synthesis, structure, spectral properties, electrochemistry, and molecular docking studies","New Journal of Chemistry","2023","47","1","284","296","10.1039/D2NJ03661D","","","0.71073","MoKα","","0.0287","0.0287","","","0.0777","0.0777","","","","","","1.039","","","","has coordinates","281498","2023-03-04","18:29:07",""
"7062138","14.3168","0.0016","20.207","0.002","12.3606","0.0014","90","","103.347","0.004","90","","3479.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 F12 N7 P2 Pt -","- C30 H29 F12 N7 P2 Pt -","- C120 H116 F48 N28 P8 Pt4 -","4","0.5","","Maity, Lakshmikanta; Barik, Sahadev; Kisan, Hemanta K.; Jana, Abhimanyu; Isab, Anvarhusein A.; Dinda, Joydev","‘Optimized route’ to synthesize isoelectronic and isostructural Au(iii)- and Pt(ii)-NHC complexes: synthesis, structure, spectral properties, electrochemistry, and molecular docking studies","New Journal of Chemistry","2023","47","1","284","296","10.1039/D2NJ03661D","","","1.54178","CuKα","","0.0396","0.0382","","","0.102","0.1034","","","","","","1.149","","","","has coordinates","281498","2023-03-04","18:29:07",""
"7062139","7.214","0.0012","7.4875","0.0012","11.7137","0.0018","80.95","0.005","85.782","0.005","80.9","0.005","616.2","0.17","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F7 N O2 -","- C12 H6 F7 N O2 -","- C24 H12 F14 N2 O4 -","2","1","","Li, Ning-Bo; Gu, Shuo; Hu, Chu-Qian; Wang, Yu-Xin; Zhou, Xue; Qiao, Jie; Jiang, Jun; Ji, Hong-Tao; He, Wei-Min","Visible-light-induced mesoporous graphitic carbon nitride-catalyzed trifluoromethylation and perfluoroalkylation of 4-aminocoumarins","New Journal of Chemistry","2023","47","2","660","665","10.1039/D2NJ05304G","","","0.71073","MoKα","","0.1012","0.0604","","","0.1639","0.1913","","","","","","1.021","","","","has coordinates","281523","2023-03-04","18:33:17",""
"7062140","4.4891","0.0002","12.7516","0.0006","25.5555","0.0011","90","","93.5677","0.0014","90","","1460.04","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F6 N2 Se -","- C15 H8 F6 N2 Se -","- C60 H32 F24 N8 Se4 -","4","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0579","0.0389","","","0.0757","0.084","","","","","","1.078","","","","has coordinates","281517","2023-03-04","18:32:31",""
"7062141","7.7546","0.0003","7.758","0.0003","10.875","0.0005","88.0511","0.0013","88.963","0.0012","79.6705","0.0012","643.22","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F3 N2 Se -","- C14 H9 F3 N2 Se -","- C28 H18 F6 N4 Se2 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0293","0.0264","","","0.0605","0.0624","","","","","","1.07","","","","has coordinates","281517","2023-03-04","18:32:31",""
"7062142","7.2127","0.0006","7.3918","0.0006","12.6208","0.0011","89.679","0.003","84.022","0.003","62.497","0.003","592.9","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 F3 N2 Se -","- C13 H7 F3 N2 Se -","- C26 H14 F6 N4 Se2 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0886","0.0731","","","0.1601","0.1694","","","","","","1.165","","","","has coordinates","281517","2023-03-04","18:32:31",""
"7062143","7.3069","0.0002","13.4268","0.0005","11.8686","0.0005","90","","101.066","0.0013","90","","1142.76","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 Se -","- C13 H9 F N2 Se -","- C52 H36 F4 N8 Se4 -","4","2","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0654","0.0506","","","0.0737","0.0804","","","","","","1.052","","","","has coordinates","281517","2023-03-04","18:32:31",""
"7062144","9.1897","0.0003","12.1739","0.0004","12.308","0.0004","86.824","0.001","85.501","0.001","71.614","0.001","1301.95","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F3 N2 Se -","- C14 H9 F3 N2 Se -","- C56 H36 F12 N8 Se4 -","4","2","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0462","0.0307","","","0.0612","0.0656","","","","","","1.037","","","","has coordinates,has disorder","281517","2023-03-04","18:32:31",""
"7062145","6.9606","0.0003","7.423","0.0004","12.516","0.0006","74.399","0.002","77.913","0.002","68.957","0.002","576.72","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F N2 Se -","- C13 H9 F N2 Se -","- C26 H18 F2 N4 Se2 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Arenaza-Corona, Antonino; Hernández-Ortega, Simón; Morales-Morales, David","Electronic properties and supramolecular study of selenoureas with fluorinated-NHC ligands derived from imidazo[1,5-a]pyridines","New Journal of Chemistry","2023","47","4","2090","2095","10.1039/D2NJ04699G","","","0.71073","MoKα","","0.0427","0.033","","","0.0724","0.0762","","","","","","1.057","","","","has coordinates","281517","2023-03-04","18:32:31",""
"7062146","13.1307","0.0004","8.5693","0.0002","20.6523","0.0005","90","","100.607","0.002","90","","2284.11","0.1","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Abnormal NHC 1","","- C26 H20 Au Cl N4 -","- C26 H20 Au Cl N4 -","- C104 H80 Au4 Cl4 N16 -","4","1","","Kalaivanan, Subramaniyam; Moulali, Vaddamanu; Siddhant, Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan","Thermally stable carbazole tagged Au(i)–mesoionic N-heterocyclic carbene complexes with diverse gold–hydrogen bonds","New Journal of Chemistry","2023","47","1","491","499","10.1039/D2NJ03215E","","","0.71073","MoKα","","0.0669","0.0373","","","0.0575","0.0688","","","","","","1.0588","","","","has coordinates","281499","2023-03-04","18:29:35",""
"7062147","16.6671","0.0004","13.2879","0.0003","21.1978","0.0005","90","","97.521","0.002","90","","4654.3","0.19","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Abnormal Au complex 2","","- C50 H48 Au2 Cl2 N8 -","- C50 H48 Au2 Cl2 N8 -","- C200 H192 Au8 Cl8 N32 -","4","1","","Kalaivanan, Subramaniyam; Moulali, Vaddamanu; Siddhant, Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan","Thermally stable carbazole tagged Au(i)–mesoionic N-heterocyclic carbene complexes with diverse gold–hydrogen bonds","New Journal of Chemistry","2023","47","1","491","499","10.1039/D2NJ03215E","","x-ray","0.71073","MoKα","","0.0381","0.0268","","","0.0479","0.0499","","","","","","1.037","","","","has coordinates","281499","2023-03-04","18:29:35",""
"7062148","7.2137","0.0003","27.0679","0.001","22.9078","0.0007","90","","90.19","0.003","90","","4472.9","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 I N4 -","- C26 H21 I N4 -","- C208 H168 I8 N32 -","8","2","","Kalaivanan, Subramaniyam; Moulali, Vaddamanu; Siddhant, Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan","Thermally stable carbazole tagged Au(i)–mesoionic N-heterocyclic carbene complexes with diverse gold–hydrogen bonds","New Journal of Chemistry","2023","47","1","491","499","10.1039/D2NJ03215E","","x-ray","0.71073","MoKα","","0.054","0.0345","","","0.0738","0.08","","","","","","1.0221","","","","has coordinates","281499","2023-03-04","18:29:35",""
"7062149","21.3568","0.001","11.1344","0.0007","14.8894","0.0006","90","","128.656","0.004","90","","2764.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cd0.5 N3 O3 -","- C15 H14 Cd0.5 N3 O3 -","- C120 H112 Cd4 N24 O24 -","8","1","","Jia, Yuejiao; Li, DeChao; Wu, Nan; Su, Shuai; Qie, Shaowen; Hu, Ming","Detection of salbutamol and enantioselective sensing of l/d-lysine based on a cadmium-based coordination polymer","New Journal of Chemistry","2023","47","2","674","680","10.1039/D2NJ05079J","","","1.54178","CuKα","","0.0595","0.0462","","","0.1065","0.1151","","","","","","1.07","","","","has coordinates","281524","2023-03-04","18:33:23",""
"7062150","16.9539","0.0002","18.4799","0.0003","20.4231","0.0003","106.584","0.001","103.426","0.001","110.971","0.001","5311.67","0.16","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C125 H81 B Cl Cu2 F24 N6 P2 -","- C124.999 H81 B Cl Cu2 F23.997 N6 P2 -","- C249.998 H162 B2 Cl2 Cu4 F47.994 N12 P4 -","2","1","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","x-ray","1.54184","CuKα","","0.0396","0.0374","","","0.1003","0.1024","","","","","","1.018","","","","has coordinates,has disorder","281514","2023-03-04","18:31:43",""
"7062151","15.1332","0.0003","8.04189","0.00017","17.8693","0.0003","90","","93.2732","0.0016","90","","2171.14","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl2 Cu2 N2 P2 -","- C52 H40 Cl2 Cu2 N2 P2 -","- C104 H80 Cl4 Cu4 N4 P4 -","2","0.5","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","x-ray","1.54184","CuKα","","0.0309","0.029","","","0.0773","0.0792","","","","","","1.046","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062152","9.9046","0.0002","20.3977","0.0003","14.4741","0.0002","90","","107.629","0.002","90","","2786.89","0.09","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H54 Cl2 Cu2 N4 P2 -","- C70 H54 Cl2 Cu2 N4 P2 -","- C140 H108 Cl4 Cu4 N8 P4 -","2","0.5","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","x-ray","1.54184","CuKα","","0.0317","0.0286","","","0.0746","0.0768","","","","","","1.028","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062153","14.8459","0.0003","10.18035","0.00019","24.1751","0.0004","90","","90.0356","0.0018","90","","3653.74","0.12","100","0.6","100","0.6","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H48 Cl Cu N2 P2 -","- C40 H48 Cl Cu N2 P2 -","- C160 H192 Cl4 Cu4 N8 P8 -","4","2","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","x-ray","1.54184","CuKα","","0.0499","0.049","","","0.1205","0.1221","","","","","","1.066","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062154","10.2245","0.0005","18.4807","0.001","13.1184","0.0007","90","","110.303","0.002","90","","2324.8","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C53 H42 B Cl2 Cu F4 N2 P2 -","- C53 H42 B Cl2 Cu F4 N2 P2 -","- C106 H84 B2 Cl4 Cu2 F8 N4 P4 -","2","1","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0444","0.0361","","","0.0796","0.0846","","","","","","1.05","","","","has coordinates,has disorder","281514","2023-03-04","18:31:43",""
"7062155","8.8016","0.0006","18.1414","0.0013","19.4268","0.0014","90","","98.1385","0.0013","90","","3070.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N3 P -","- C42 H30 N3 P -","- C168 H120 N12 P4 -","4","1","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0453","0.0375","","","0.0938","0.099","","","","","","1.033","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062156","10.5083","0.0005","24.4621","0.0011","16.5527","0.0007","90","","97.171","0.002","90","","4221.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cl7 Cu N3 P -","- C45 H36 Cl7 Cu N3 P -","- C180 H144 Cl28 Cu4 N12 P4 -","4","1","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0462","0.0342","","","0.0809","0.0868","","","","","","1.033","","","","has coordinates,has disorder","281514","2023-03-04","18:31:43",""
"7062157","19.0744","0.0006","10.2424","0.0003","25.3779","0.0009","90","","93.17","0.002","90","","4950.4","0.3","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C59 H46 Cu F3 N2 O3 P2 S -","- C59 H46 Cu F3 N2 O3 P2 S -","- C236 H184 Cu4 F12 N8 O12 P8 S4 -","4","2","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0561","0.042","","","0.0811","0.0845","","","","","","1.104","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062158","19.862","0.0012","19.0191","0.0011","20.6755","0.001","90","","95.469","0.002","90","","7774.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 B Cu F24 N2 P2 -","- C88 H60 B Cu F24 N2 P2 -","- C352 H240 B4 Cu4 F96 N8 P8 -","4","1","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0618","0.0396","","","0.0788","0.0879","","","","","","1.031","","","","has coordinates,has disorder","281514","2023-03-04","18:31:43",""
"7062159","33.9988","0.0006","8.9587","0.0003","21.5431","0.0005","90","","97.125","0.002","90","","6511","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 Cl3 N8 P3 -","- C29 H36 Cl3 N8 P3 -","- C232 H288 Cl24 N64 P24 -","8","1","","Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms","New Journal of Chemistry","2023","47","4","1900","1915","10.1039/D2NJ05010B","","","0.71073","MoKα","","0.0694","0.0489","","","0.118","0.1302","","","","","","1.018","","","","has coordinates","281521","2023-03-04","18:33:04",""
"7062160","22.1066","0.0005","9.3979","0.0004","30.6163","0.0006","90","","90","","90","","6360.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Cl3 N8 P3 -","- C29 H36 Cl3 N8 P3 -","- C232 H288 Cl24 N64 P24 -","8","1","","Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms","New Journal of Chemistry","2023","47","4","1900","1915","10.1039/D2NJ05010B","","","0.71073","MoKα","","0.0406","0.0354","","","0.0885","0.0913","","","","","","1.07","","","","has coordinates","281521","2023-03-04","18:33:04",""
"7062161","13.835","0.003","16.655","0.003","8.597","0.0018","90","","107.296","0.007","90","","1891.4","0.7","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O2 Se -","- C25 H16 O2 Se -","- C100 H64 O8 Se4 -","4","1","","Anjos, Thiago; Gutterres, Elba L.; Barancelli, Daniela A.; Cargnelutti, Roberta; Godoi, Benhur; Barcellos, Thiago; Schumacher, Ricardo F.","Synthesis of chalcogen-functionalized 4H-chromen-4-ones via cyclization/chalcogenation of alkynyl aryl ketones mediated by Selectfluor®","New Journal of Chemistry","2023","47","3","1076","1080","10.1039/D2NJ05567H","","","0.71073","MoKα","","0.0574","0.0326","","","0.0695","0.0785","","","","","","1.015","","","","has coordinates","281541","2023-03-04","18:36:33",""
"7062162","9.8832","0.0002","11.2677","0.0003","23.1419","0.0005","87.573","0.002","79.458","0.002","65.072","0.002","2295.82","0.1","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 Dy F9 N2 O6 -","- C54 H32 Dy F9 N2 O6 -","- C108 H64 Dy2 F18 N4 O12 -","2","1","","Liu, Shan-Shan; Guo, Qi-Ming; Liu, Bin; Jin, Teng-Hui; Zhang, Zi-Hao; Lin, Shijing; Meng, Yin-Shan","Slow magnetic relaxation of a mononuclear dysprosium complex derived from 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione and 1,10-phenanthroline","New Journal of Chemistry","2023","47","5","2324","2328","10.1039/D2NJ04495A","","x-ray","0.71073","MoKα","","0.0212","0.019","","","0.0575","0.0585","","","","","","1.034","","","","has coordinates","281510","2023-03-04","18:31:03",""
"7062163","10.0623","0.0008","11.4487","0.0009","23.2164","0.0017","87.737","0.003","79.678","0.002","64.635","0.001","2375.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 F9 N2 O6 Tb -","- C54 H32 F9 N2 O6 Tb -","- C108 H64 F18 N4 O12 Tb2 -","2","1","","Liu, Shan-Shan; Guo, Qi-Ming; Liu, Bin; Jin, Teng-Hui; Zhang, Zi-Hao; Lin, Shijing; Meng, Yin-Shan","Slow magnetic relaxation of a mononuclear dysprosium complex derived from 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione and 1,10-phenanthroline","New Journal of Chemistry","2023","47","5","2324","2328","10.1039/D2NJ04495A","","","0.71073","MoKα","","0.1553","0.0749","","","0.0863","0.1014","","","","","","0.951","","","","has coordinates,has disorder","281510","2023-03-04","18:31:03",""
"7062164","9.515","0.0013","19.552","0.003","57.266","0.008","90","","90","","90","","10654","3","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H52 N6 O7 S3 -","- C45 H52 N6 O7 S3 -","- C360 H416 N48 O56 S24 -","8","1","","Li, Junhong; Yuan, Lisha; Yang, Qinrong; Zhang, Ningjin; Bao, Xiaoping","Two carbazole disulfonamide-diamide macrocycles with semi-flexible meta-xylyl linkages for anion recognition","New Journal of Chemistry","2023","47","5","2343","2349","10.1039/D2NJ04412A","","","0.71073","MoKα","","0.0646","0.0533","","","0.1388","0.1455","","","","","","1.064","","","","has coordinates,has disorder","281504","2023-03-04","18:30:17",""
"7062165","18.681","0.002","5.2749","0.0006","17.908","0.002","90","","104.319","0.004","90","","1709.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","INA4","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Butuza, Roxana A.; Dumitraş, Darius; Bohan, Cosmina; Pop, Alexandra","Silver(i) complexes containing heteroleptic diorganochalcogen(ii) ligands","New Journal of Chemistry","2023","47","5","2202","2210","10.1039/D2NJ05472H","","","0.71073","MoKα","","0.2132","0.0999","","","0.1527","0.19","","","","","","1.064","","","","has coordinates","281506","2023-03-04","18:30:33",""
"7062166","18.3038","0.0011","5.2946","0.0003","18.3266","0.0011","90","","102.537","0.002","90","","1733.71","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 Se -","- C20 H19 N O2 Se -","- C80 H76 N4 O8 Se4 -","4","1","","Butuza, Roxana A.; Dumitraş, Darius; Bohan, Cosmina; Pop, Alexandra","Silver(i) complexes containing heteroleptic diorganochalcogen(ii) ligands","New Journal of Chemistry","2023","47","5","2202","2210","10.1039/D2NJ05472H","","","0.71073","MoKα","","0.0929","0.0452","","","0.0688","0.0818","","","","","","1.088","","","","has coordinates","281506","2023-03-04","18:30:33",""
"7062167","41.589","0.005","13.9962","0.0018","15.4588","0.0017","90","","100.215","0.005","90","","8855.7","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Ag2 F6 N2 O10 S4 -","- C42 H38 Ag2 F6 N2 O10 S4 -","- C336 H304 Ag16 F48 N16 O80 S32 -","8","1","","Butuza, Roxana A.; Dumitraş, Darius; Bohan, Cosmina; Pop, Alexandra","Silver(i) complexes containing heteroleptic diorganochalcogen(ii) ligands","New Journal of Chemistry","2023","47","5","2202","2210","10.1039/D2NJ05472H","","","0.71073","MoKα","","0.0437","0.0293","","","0.0518","0.0571","","","","","","1.057","","","","has coordinates","281506","2023-03-04","18:30:33",""
"7062168","5.5072","0.0002","12.8308","0.0004","21.227","0.0007","90","","90","","90","","1499.94","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Br O S3 -","- C16 H9 Br O S3 -","- C64 H36 Br4 O4 S12 -","4","1","","Mahato, Karuna; Mondal, Santa; Ali, Ahmed; Bagdi, Prasanta Ray; Khan, Abu T.; Arora, Neha; Ghosh, Siddhartha Sankar","Unconventional sulfur transfer behaviour of 4-hydroxy-dithiocoumarin: an easy access to biologically potent 1,2-dithiolane scaffolds","New Journal of Chemistry","2023","47","4","1954","1961","10.1039/D2NJ04791H","","","0.71073","MoKα","","0.054","0.0415","","","0.0743","0.0777","","","","","","1.085","","","","has coordinates","281519","2023-03-04","18:32:48",""
"7062169","6.4654","0.0004","7.2568","0.0004","13.7654","0.0008","83.05","0.002","81.814","0.002","87.445","0.002","634.32","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 F N3 O4 -","- C13 H12 F N3 O4 -","- C26 H24 F2 N6 O8 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Yu, Yu; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Self-assembly of antifungal agent 5-fluorocytosine and nutrient trans-p-coumaric acid furnishes a cocrystal with the potential to reduce toxicity and side effects for the drug: a case study combining theory with experiment","New Journal of Chemistry","2023","47","3","1328","1341","10.1039/D2NJ03622C","","","0.71073","MoKα","","0.0499","0.0394","","","0.1147","0.1285","","","","","","1.079","","","","has coordinates","281545","2023-03-04","18:37:10",""
"7062170","9.289","0.0003","13.9047","0.0005","17.0859","0.0006","107.901","0.001","90.211","0.001","105.913","0.001","2010.17","0.12","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H34 Cl2 F4 N2 P2 Pt2 -","- C47 H34 Cl2 F4 N2 P2 Pt2 -","- C94 H68 Cl4 F8 N4 P4 Pt4 -","2","1","","Shahsavari, Hamid R.; Chamyani, Samira; Aghakhanpour, Reza Babadi; Dolatyari, Vahideh; Paziresh, Sareh","Phosphorescent Pt(ii) complexes bearing cyclometalated difluorophenylpyridinate and diphosphine building blocks","New Journal of Chemistry","2023","47","3","1435","1443","10.1039/D2NJ05555D","","x-ray","0.71073","MoKα","","0.0534","0.0334","","","0.073","0.0835","","","","","","0.908","","","","has coordinates","281539","2023-03-04","18:36:22",""
"7062171","6.7461","0.0017","6.8315","0.0018","21.892","0.006","90","","93.503","0.003","90","","1007","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Ohira, Kazuki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Synthesis and optical properties of phenazinone-based photosensitizers for singlet oxygen generation","New Journal of Chemistry","2023","47","6","2711","2718","10.1039/D2NJ05322E","","","0.71073","MoKa","","0.0656","0.0434","","","0.1073","0.1197","","","","","","1.055","","","","has coordinates","281527","2023-03-04","18:34:16",""
"7062172","10.8605","0.0018","11.1311","0.0018","10.3566","0.0017","90","","96.649","0.002","90","","1243.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Ohira, Kazuki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Synthesis and optical properties of phenazinone-based photosensitizers for singlet oxygen generation","New Journal of Chemistry","2023","47","6","2711","2718","10.1039/D2NJ05322E","","","0.71073","MoKa","","0.0495","0.0389","","","0.0965","0.1037","","","","","","0.998","","","","has coordinates","281527","2023-03-04","18:34:16",""
"7062173","12.9125","0.0008","17.0395","0.001","7.2712","0.0004","90","","93.983","0.001","90","","1595.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl N2 O3 -","- C20 H13 Cl N2 O3 -","- C80 H52 Cl4 N8 O12 -","4","1","","Ohira, Kazuki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Synthesis and optical properties of phenazinone-based photosensitizers for singlet oxygen generation","New Journal of Chemistry","2023","47","6","2711","2718","10.1039/D2NJ05322E","","","0.71073","MoKa","","0.041","0.0341","","","0.0887","0.0935","","","","","","1.025","","","","has coordinates","281527","2023-03-04","18:34:16",""
"7062174","23.5235","0.0008","9.3471","0.0003","15.7733","0.0005","90","","91.648","0.003","90","","3466.7","0.2","282","3","282","3","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H90 Br10.76 Cl7.24 Mn3 N6 -","- C36 H90 Br10.76 Cl7.24 Mn3 N6 -","- C72 H180 Br21.52 Cl14.48 Mn6 N12 -","2","0.5","","Xu, Ran; Lun, Meng-Meng; Zhang, Tie; Li, Jie; Zou, Ke; Zhang, Yi; Fu, Da-Wei; Guo, Qiang","Dual dielectric-responsive hybrid materials with fluorescent properties","New Journal of Chemistry","2023","47","5","2405","2411","10.1039/D2NJ04939B","","x-ray","0.71073","MoKα","","0.087","0.041","","","0.0856","0.0979","","","","","","1.028","","","","has coordinates,has disorder","281515","2023-03-04","18:31:52",""
"7062175","23.6709","0.0012","9.4002","0.0004","15.9372","0.0007","90","","91.605","0.004","90","","3544.8","0.3","374.98","0.1","374.98","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H90 Br10.94 Cl7.06 Mn3 N6 -","- C36 H90 Br10.944 Cl7.056 Mn3 N6 -","- C72 H180 Br21.888 Cl14.112 Mn6 N12 -","2","0.5","","Xu, Ran; Lun, Meng-Meng; Zhang, Tie; Li, Jie; Zou, Ke; Zhang, Yi; Fu, Da-Wei; Guo, Qiang","Dual dielectric-responsive hybrid materials with fluorescent properties","New Journal of Chemistry","2023","47","5","2405","2411","10.1039/D2NJ04939B","","x-ray","0.71073","MoKα","","0.1551","0.0562","","","0.1443","0.1791","","","","","","1.025","","","","has coordinates,has disorder","281515","2023-03-04","18:31:55",""
"7062176","29.0219","0.0007","19.1466","0.0005","19.2115","0.0005","90","","100.539","0.003","90","","10495.2","0.5","100.01","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H94 Cl6 Dy4 N7 O33 -","- C99 H94 Cl6 Dy4 N7 O33 -","- C396 H376 Cl24 Dy16 N28 O132 -","4","1","","Wang, Yi-Han; Qin, Yu; Tang, Shen; Teng, Qing-Hu; Zhu, Meng-Meng; Peng, Song; Wang, Kai; Liang, Fu-Pei","Asymmetric {Dy4} metallogrid and double-layered {Dy8} cage clusters from carboxylic decorated o-vanillin Schiff bases: syntheses, topological variation, and single molecule magnet behaviors","New Journal of Chemistry","2023","47","4","2052","2059","10.1039/D2NJ04701B","","x-ray","0.71073","MoKα","","0.1092","0.0772","","","0.153","0.1723","","","","","","1.176","","","","has coordinates","281518","2023-03-04","18:32:43",""
"7062177","15.3953","0.0005","16.5545","0.0005","17.4986","0.0006","67.554","0.003","89.584","0.003","74.827","0.003","3956.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H100 Cl10 Dy8 N10 O44 -","- C134 H100 Cl10 Dy8 N10 O44 -","- C134 H100 Cl10 Dy8 N10 O44 -","1","0.5","","Wang, Yi-Han; Qin, Yu; Tang, Shen; Teng, Qing-Hu; Zhu, Meng-Meng; Peng, Song; Wang, Kai; Liang, Fu-Pei","Asymmetric {Dy4} metallogrid and double-layered {Dy8} cage clusters from carboxylic decorated o-vanillin Schiff bases: syntheses, topological variation, and single molecule magnet behaviors","New Journal of Chemistry","2023","47","4","2052","2059","10.1039/D2NJ04701B","","x-ray","0.71073","MoKα","","0.0835","0.0548","","","0.1486","0.1653","","","","","","1.122","","","","has coordinates","281518","2023-03-04","18:32:43",""
"7062178","15.3229","0.0003","8.7687","0.0002","13.8326","0.0003","90","","104.502","0.002","90","","1799.36","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S2 -","- C19 H21 N O2 S2 -","- C76 H84 N4 O8 S8 -","4","1","","Kumar, Mahesh; Vishwakarma, Ramesh Kumar; Preeti,; Singh, Krishna Nand","Visible-light-mediated C(sp3)–H functionalization of alkyl arylacetates: an easy approach to S-benzyl dithiocarbamate acetates","New Journal of Chemistry","2023","47","5","2412","2416","10.1039/D2NJ05285G","","","1.54184","CuKα","","0.0506","0.0481","","","0.1331","0.135","","","","","","1.009","","","","has coordinates","281511","2023-03-04","18:31:09",""
"7062179","12.2468","0.0005","10.057","0.0005","16.8219","0.0009","90","","102.021","0.004","90","","2026.45","0.17","112.35","0.1","112.35","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dibenzo[b,f]benzo[4,5][1,2]aza-phosphinino[1,6-d][1,4]oxazepine 15-oxide","rel-(4bR,15R)-15-Ethoxy-3-(trifluoromethyl)-4b,16-dihydrodibenzo[b,f]benzo[4,5][1,2]aza-phosphinino[1,6-d][1,4]oxazepine 15-oxide","","- C23 H19 F3 N O3 P -","- C23 H19 F3 N O3 P -","- C92 H76 F12 N4 O12 P4 -","4","1","","Yuan, Xin; Lei, Yelong; Fu, Zhicheng; Xu, Jiaxi","[4+2] Annulation of arylmethylphosphonochloridates with dibenzo[b,f][1,4]oxazepines: a practical approach to polycyclic benzo-δ-phosphonolactams","New Journal of Chemistry","2023","47","5","2431","2435","10.1039/D2NJ05558A","","x-ray","0.71073","MoKα","","0.0538","0.0427","","","0.0912","0.0981","","","","","","1.028","","","","has coordinates,has disorder","281512","2023-03-04","18:31:15",""
"7062180","12.3656","0.0003","11.6981","0.0003","18.3655","0.0005","90","","90","","90","","2656.64","0.12","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 Cu I2 N2 -","- C8 H17 Cu I2 N2 -","- C64 H136 Cu8 I16 N16 -","8","1","","Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming","Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light","New Journal of Chemistry","2023","47","5","2556","2564","10.1039/D2NJ04044A","","","0.71073","MoKα","","0.0276","0.0219","","","0.052","0.0546","","","","","","1.056","","","","has coordinates","281509","2023-03-04","18:30:56",""
"7062181","7.4735","0.0008","8.6042","0.0011","10.7737","0.0011","80.277","0.002","83.715","0.002","75.29","0.002","658.84","0.13","296","2","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H32 Cu2 F2 I4 N4 -","- C16 H32 Cu2 F2 I4 N4 -","- C16 H32 Cu2 F2 I4 N4 -","1","1","","Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming","Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light","New Journal of Chemistry","2023","47","5","2556","2564","10.1039/D2NJ04044A","","","0.71073","MoKα","","0.0294","0.0276","","","0.0704","0.072","","","","","","1.221","","","","has coordinates","281509","2023-03-04","18:30:56",""
"7062182","8.156","0.0002","21.1757","0.0005","8.8306","0.0002","90","","111.732","0.002","90","","1416.73","0.06","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Br2 Cu2 I4 N4 -","- C16 H32 Br2 Cu2 I4 N4 -","- C32 H64 Br4 Cu4 I8 N8 -","2","0.5","","Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming","Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light","New Journal of Chemistry","2023","47","5","2556","2564","10.1039/D2NJ04044A","","","0.71073","MoKα","","0.0408","0.0331","","","0.0715","0.0743","","","","","","1.089","","","","has coordinates","281509","2023-03-04","18:30:56",""
"7062183","8.0904","0.001","21.288","0.003","8.7689","0.001","90","","112.327","0.008","90","","1397","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 Cu2 I4 N4 -","- C16 H32 Cl2 Cu2 I4 N4 -","- C32 H64 Cl4 Cu4 I8 N8 -","2","0.5","","Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming","Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light","New Journal of Chemistry","2023","47","5","2556","2564","10.1039/D2NJ04044A","","","0.71073","MoKα","","0.0625","0.0451","","","0.1045","0.1122","","","","","","1.111","","","","has coordinates","281509","2023-03-04","18:30:56",""
"7062184","13.1883","0.0009","22.011","0.0012","22.114","0.0014","67.086","0.002","73.144","0.003","77.191","0.002","5615.6","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H114 Cl10 N8 Zn4 -","- C121 H114 Cl10 N8 Zn4 -","- C242 H228 Cl20 N16 Zn8 -","2","1","","Zakrzewska, Małgorzata E.; André, Paulo J. L.; Gomes, Clara S. B.; Nunes, Ana V. M.; Rosa, Vitor","Zinc complexes bearing BIAN ligands as efficient catalysts for the formation of cyclic carbonates from CO2 and epoxides","New Journal of Chemistry","2023","47","14","6551","6562","10.1039/D2NJ05621F","","x-ray","0.71073","MoKα","","0.1781","0.0761","","","0.1608","0.1863","","","","","","1.049","","","","has coordinates","283406","2023-05-05","03:02:41",""
"7062185","11.4042","0.0005","18.2405","0.0007","14.2572","0.0006","90","","97.123","0.002","90","","2942.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Cl4 N2 Zn -","- C31 H30 Cl4 N2 Zn -","- C124 H120 Cl16 N8 Zn4 -","4","1","","Zakrzewska, Małgorzata E.; André, Paulo J. L.; Gomes, Clara S. B.; Nunes, Ana V. M.; Rosa, Vitor","Zinc complexes bearing BIAN ligands as efficient catalysts for the formation of cyclic carbonates from CO2 and epoxides","New Journal of Chemistry","2023","47","14","6551","6562","10.1039/D2NJ05621F","","x-ray","0.71073","MoKα","","0.0399","0.0333","","","0.1118","0.1182","","","","","","1.042","","","","has coordinates","283406","2023-05-05","03:02:42",""
"7062186","11.8872","0.0017","16.579","0.003","33.608","0.004","90","","90","","90","","6623.4","1.7","110","2","110","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H30 Cl4 N2 Zn -","- C31 H30 Cl4 N2 Zn -","- C248 H240 Cl32 N16 Zn8 -","8","1","","Zakrzewska, Małgorzata E.; André, Paulo J. L.; Gomes, Clara S. B.; Nunes, Ana V. M.; Rosa, Vitor","Zinc complexes bearing BIAN ligands as efficient catalysts for the formation of cyclic carbonates from CO2 and epoxides","New Journal of Chemistry","2023","47","14","6551","6562","10.1039/D2NJ05621F","","x-ray","0.71073","MoKα","","0.1555","0.0997","","","0.2804","0.3049","","","","","","1.062","","","","has coordinates","283406","2023-05-05","03:02:42",""
"7062187","34.786","0.01","12.983","0.004","17.594","0.005","90","","107.457","0.005","90","","7580","4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H3.4 Cl0.4 N0.2 P0.2 Pd0.2 -","- C3 H3.4 Cl0.4 N0.2 P0.2 Pd0.2 -","- C240 H272 Cl32 N16 P16 Pd16 -","80","10","","Rao, Gyandshwar Kumar; Dutta, Anirban; Yadav, Nisha; Oswal, Preeti; Kumar, Arun; Singh, Ajai K.","Palladium(ii)-complexes of bi- and tri-dentate phosphine ligands: precursor for palladium–phosphorous nanoparticles and activity towards Suzuki–Miyaura coupling","New Journal of Chemistry","2023","47","9","4218","4227","10.1039/D2NJ05357H","","","0.71073","MoKα","","0.0785","0.0589","","","0.1226","0.1313","","","","","","1.079","","","","has coordinates","281534","2023-03-04","18:35:44",""
"7062188","12.606","0.003","8.4228","0.0019","22.777","0.005","90","","96.878","0.005","90","","2401","0.9","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6.588 H5.882 Cl0.235 N0.235 O0.235 P0.235 Pd0.235 -","- C6.58824 H5.88235 Cl0.235294 N0.235294 O0.235294 P0.235294 Pd0.235294 -","- C112 H100 Cl4 N4 O4 P4 Pd4 -","17","4.25","","Rao, Gyandshwar Kumar; Dutta, Anirban; Yadav, Nisha; Oswal, Preeti; Kumar, Arun; Singh, Ajai K.","Palladium(ii)-complexes of bi- and tri-dentate phosphine ligands: precursor for palladium–phosphorous nanoparticles and activity towards Suzuki–Miyaura coupling","New Journal of Chemistry","2023","47","9","4218","4227","10.1039/D2NJ05357H","","","0.71073","MoKα","","0.0649","0.0466","","","0.0908","0.0968","","","","","","0.9431","","","","has coordinates","281534","2023-03-04","18:35:44",""
"7062189","9.3025","0.0013","9.3025","0.0013","54.665","0.011","90","","90","","90","","4730.5","1.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H38 Er2 N2 O17 -","- C51 H38 Er2 N2 O17 -","- C204 H152 Er8 N8 O68 -","4","0.5","","Hajiashrafi, Taraneh; Sheikholeslami, Mohaddeseh; Arjanaki, Maryam Ahmadi; Tarighi, Sara; Guo, Zhifang; Junk, Peter C.","Synthesis, structure analysis and catalytic activity of two Ln-coordination polymers containing benzophenone-4,4′-dicarboxylate linker","New Journal of Chemistry","2023","47","5","2230","2239","10.1039/D2NJ04116B","","","0.71073","MoKα","","0.0287","0.028","","","0.0727","0.0732","","","","","","1.073","","","","has coordinates","281507","2023-03-04","18:30:41",""
"7062190","9.277","0.0013","9.277","0.0013","54.662","0.011","90","","90","","90","","4704.4","1.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H38 N2 O17 Yb2 -","- C51 H38 N2 O17 Yb2 -","- C204 H152 N8 O68 Yb8 -","4","0.5","","Hajiashrafi, Taraneh; Sheikholeslami, Mohaddeseh; Arjanaki, Maryam Ahmadi; Tarighi, Sara; Guo, Zhifang; Junk, Peter C.","Synthesis, structure analysis and catalytic activity of two Ln-coordination polymers containing benzophenone-4,4′-dicarboxylate linker","New Journal of Chemistry","2023","47","5","2230","2239","10.1039/D2NJ04116B","","","0.71073","MoKα","","0.0159","0.0159","","","0.039","0.039","","","","","","1.105","","","","has coordinates","281507","2023-03-04","18:30:41",""
"7062205","9.0062","0.0003","10.8352","0.0004","16.7548","0.0007","79.47","0.002","88.433","0.001","87.111","0.001","1605.15","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl N2 Ni O3 P -","- C38 H32 Cl N2 Ni O3 P -","- C76 H64 Cl2 N4 Ni2 O6 P2 -","2","1","","Kumar, Sunil; Choudhary, Mukesh","New nickel(ii) Schiff base complexes as potential tools against SARS-CoV-2 Omicron target proteins: an in silico approach","New Journal of Chemistry","2023","47","5","2350","2371","10.1039/D2NJ05136B","","","0.71073","MoKα","","0.0597","0.0443","","","0.0959","0.1029","","","","","","1.08","","","","has coordinates","281508","2023-03-04","18:30:48",""
"7062206","17.6916","0.0007","8.179","0.0003","12.9474","0.0004","90","","99.983","0.001","90","","1845.12","0.11","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O2 -","- C24 H18 N2 Ni O2 -","- C96 H72 N8 Ni4 O8 -","4","1","","Kumar, Sunil; Choudhary, Mukesh","New nickel(ii) Schiff base complexes as potential tools against SARS-CoV-2 Omicron target proteins: an in silico approach","New Journal of Chemistry","2023","47","5","2350","2371","10.1039/D2NJ05136B","","","0.71073","MoKα","","0.0452","0.0347","","","0.0967","0.1035","","","","","","0.935","","","","has coordinates","281508","2023-03-04","18:30:48",""
"7062207","11.8685","0.0005","7.18","0.0003","13.3562","0.0004","90","","102.954","0.004","90","","1109.19","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 N2 O5 S -","- C21 H30 N2 O5 S -","- C42 H60 N4 O10 S2 -","2","1","","Qi, Yue; Yin, Zhixiao; Wen, Xiangxiang; Wang, Chao; Zong, Lili","Permanganate oxidation of α,β-unsaturated carbonyls to vicinal tricarbonyls","New Journal of Chemistry","2023","47","7","3249","3254","10.1039/D2NJ05273C","","x-ray","1.54184","CuKα","","0.0381","0.034","","","0.0868","0.0892","","","","","","1.073","","","","has coordinates","281532","2023-03-04","18:35:05",""
"7062208","8.06669","0.00019","13.541","0.0003","11.9398","0.0002","90","","101.395","0.0019","90","","1278.49","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N20 O16 -","- C13 H16 N20 O16 -","- C26 H32 N40 O32 -","2","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0321","0.031","","","0.0821","0.0827","","","","","","1.085","","","","has coordinates","281516","2023-03-04","18:32:20",""
"7062209","8.0773","0.0002","24.2356","0.0005","31.9915","0.0007","90","","90","","90","","6262.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N27 O16 -","- C17 H21 N27 O16 -","- C136 H168 N216 O128 -","8","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0664","0.0591","","","0.1578","0.1639","","","","","","1.072","","","","has coordinates","281516","2023-03-04","18:32:22",""
"7062210","21.46514","0.00004","21.46514","0.00004","26.19638","0.00011","90","","90","","90","","12070","0.06","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C13 H14 N22 O18 -","- C13 H14 N22 O18 -","- C208 H224 N352 O288 -","16","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0453","0.0435","","","0.1103","0.1119","","","","","","1.021","","","","has coordinates,has disorder","281516","2023-03-04","18:32:22",""
"7062211","21.5383","0.0001","21.5383","0.0001","26.3607","0.0002","90","","90","","90","","12228.7","0.12","99.98","0.1","99.98","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C13 H14 N22 O19 -","- C13 H14 N21.9997 O18.9997 -","- C208 H224 N351.995 O303.995 -","16","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0508","0.0482","","","0.1192","0.121","","","","","","1.038","","","","has coordinates,has disorder","281516","2023-03-04","18:32:22",""
"7062212","19.26767","0.00013","25.25063","0.00019","15.55504","0.0001","90","","93.9403","0.0006","90","","7549.96","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.86 H25.98 N25.93 O20.09 -","- C20.86 H25.979 N25.93 O20.0945 -","- C166.88 H207.832 N207.44 O160.756 -","8","2","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0506","0.0458","","","0.1206","0.1239","","","","","","1.033","","","","has coordinates,has disorder","281516","2023-03-04","18:32:22",""
"7062213","26.0971","0.0002","11.66535","0.00008","36.7954","0.0003","90","","103.706","0.0008","90","","10882.7","0.15","100.1","0.1","100.1","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C27 H33 N31 O28 -","- C27 H33 N31 O28 -","- C216 H264 N248 O224 -","8","2","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0577","0.0519","","","0.141","0.1456","","","","","","1.044","","","","has coordinates","281516","2023-03-04","18:32:22",""
"7062214","10.61","0.0007","8.4073","0.0005","12.0322","0.0007","90","","103.775","0.002","90","","1042.42","0.11","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14.05 H10.1 N S0.95 -","- C14.051 H10.102 N S0.949 -","- C56.204 H40.408 N4 S3.796 -","4","1","","Wang, Zongkang; Yuan, Yang; Jin, Shuxin; Wang, Ye; Gu, Yingge; Wang, Chengyu; Li, Yanzhong","Copper-catalyzed synthesis of benzo[4,5]thiazolo[3,2-a]indoles from elemental sulfur and 1-(2-iodophenyl)-1H-indoles","New Journal of Chemistry","2023","47","3","1055","1058","10.1039/D2NJ05660G","","","1.54178","CuKα","","0.0352","0.0344","","","0.0966","0.0974","","","","","","1.087","","","","has coordinates,has disorder","281540","2023-03-04","18:36:28",""
"7062215","9.5866","0.0006","20.142","0.0007","31.2607","0.0017","90","","94.699","0.005","90","","6015.9","0.5","160.2","0.5","160.2","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Br N2 O2 Si -","- C21 H19 Br N2 O2 Si -","- C252 H228 Br12 N24 O24 Si12 -","12","3","","Zubaş, Andreea; Ghinet, Alina; Shova, Sergiu; Bîcu, Elena","1,3-Dipolar cycloaddition of cycloimmonium salts and 4-(trimethylsilyl)-3-butyn-2-one to access new functionalized indolizines with potential cytostatic activity","New Journal of Chemistry","2023","47","8","3758","3772","10.1039/D2NJ05257A","","x-ray","0.71073","MoKα","","0.1662","0.0808","","","0.144","0.1794","","","","","","1.002","","","","has coordinates","281501","2023-03-04","18:29:53",""
"7062216","9.7796","0.0007","10.075","0.001","11.8548","0.0008","114.403","0.008","100.557","0.006","92.945","0.007","1035.1","0.16","239.95","0.1","239.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Br N2 O2 Si -","- C21 H19 Br N2 O2 Si -","- C42 H38 Br2 N4 O4 Si2 -","2","1","","Zubaş, Andreea; Ghinet, Alina; Shova, Sergiu; Bîcu, Elena","1,3-Dipolar cycloaddition of cycloimmonium salts and 4-(trimethylsilyl)-3-butyn-2-one to access new functionalized indolizines with potential cytostatic activity","New Journal of Chemistry","2023","47","8","3758","3772","10.1039/D2NJ05257A","","x-ray","0.71073","MoKα","","0.0734","0.0453","","","0.0951","0.1076","","","","","","1.014","","","","has coordinates","281501","2023-03-04","18:29:54",""
"7062217","14.0194","0.001","7.5074","0.0006","35.454","0.003","90","","90","","90","","3731.5","0.5","240","0.1","240","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Br2 N2 O -","- C22 H12 Br2 N2 O -","- C176 H96 Br16 N16 O8 -","8","1","","Zubaş, Andreea; Ghinet, Alina; Shova, Sergiu; Bîcu, Elena","1,3-Dipolar cycloaddition of cycloimmonium salts and 4-(trimethylsilyl)-3-butyn-2-one to access new functionalized indolizines with potential cytostatic activity","New Journal of Chemistry","2023","47","8","3758","3772","10.1039/D2NJ05257A","","x-ray","0.71073","MoKα","","0.1248","0.0618","","","0.0654","0.0807","","","","","","1.063","","","","has coordinates","281501","2023-03-04","18:29:54",""
"7062218","27.234","0.005","8.3608","0.0017","23.028","0.005","90","","109.84","0.03","90","","4932","2","290","","290","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 Cl N5 -","- C32 H18 Cl N5 -","- C256 H144 Cl8 N40 -","8","1","","Alizadeh, Abdolali; Rostampoor, Azar; Alipour, Mozhgan; Hajipour-Verdom, Behnam; Abdolmaleki, Parviz","Ultrasound-promoted synthesis of novel N-arylamino-3,5′-biquinoline derivatives: their applications in live-cell imaging and in vitro anticancer activity evaluation","New Journal of Chemistry","2023","47","5","2479","2487","10.1039/D2NJ04444G","","x-ray","0.71073","MoKα","","0.0759","0.0668","","","0.1571","0.1624","","","","","","1.131","","","","has coordinates,has disorder","281505","2023-03-04","18:30:24",""
"7062219","12.0767","0.0008","11.548","0.0009","14.9324","0.001","90","","92.349","0.003","90","","2080.7","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Bi Br4.39 I0.61 N2 -","- C14 H18 Bi Br4.3886 I0.6114 N2 -","- C56 H72 Bi4 Br17.5544 I2.4456 N8 -","4","1","","Kotov, Vitalii Yu.; Lunkov, Ivan S.; Buikin, Petr A.; Kottsov, Sergey Yu.; Korlyukov, Alexander A.; Rudenko, Alexander Yu.","Unusual isostructural Br/I substitution effect on the crystal structure and optical properties of hybrid halobismuthates","New Journal of Chemistry","2023","47","5","2666","2672","10.1039/D2NJ05184B","","","0.71073","MoKα","","0.0543","0.0387","","","0.0573","0.0609","","","","","","1.093","","","","has coordinates,has disorder","281513","2023-03-04","18:31:23",""
"7062220","12.1086","0.0004","11.5295","0.0004","15.0033","0.0006","90","","92.44","0.002","90","","2092.65","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Bi Br4.06 I0.94 N2 -","- C14 H18 Bi Br4.0567 I0.9433 N2 -","- C56 H72 Bi4 Br16.2268 I3.7732 N8 -","4","1","","Kotov, Vitalii Yu.; Lunkov, Ivan S.; Buikin, Petr A.; Kottsov, Sergey Yu.; Korlyukov, Alexander A.; Rudenko, Alexander Yu.","Unusual isostructural Br/I substitution effect on the crystal structure and optical properties of hybrid halobismuthates","New Journal of Chemistry","2023","47","5","2666","2672","10.1039/D2NJ05184B","","","0.71073","MoKα","","0.0608","0.0386","","","0.078","0.0852","","","","","","1.025","","","","has coordinates,has disorder","281513","2023-03-04","18:31:23",""
"7062221","12.1996","0.0007","11.5845","0.0008","15.073","0.0011","90","","92.533","0.005","90","","2128.1","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Bi Br3.41 I1.59 N2 -","- C14 H18 Bi Br3.4127 I1.5873 N2 -","- C56 H72 Bi4 Br13.6508 I6.3492 N8 -","4","1","","Kotov, Vitalii Yu.; Lunkov, Ivan S.; Buikin, Petr A.; Kottsov, Sergey Yu.; Korlyukov, Alexander A.; Rudenko, Alexander Yu.","Unusual isostructural Br/I substitution effect on the crystal structure and optical properties of hybrid halobismuthates","New Journal of Chemistry","2023","47","5","2666","2672","10.1039/D2NJ05184B","","","0.71073","MoKα","","0.0853","0.0564","","","0.1335","0.1489","","","","","","1.006","","","","has coordinates,has disorder","281513","2023-03-04","18:31:23",""
"7062222","12.168","0.003","11.602","0.003","15.055","0.004","90","","92.439","0.006","90","","2123.4","0.9","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Bi Br3.78 I1.22 N2 -","- C14 H18 Bi Br3.7826 I1.2174 N2 -","- C56 H72 Bi4 Br15.1304 I4.8696 N8 -","4","1","","Kotov, Vitalii Yu.; Lunkov, Ivan S.; Buikin, Petr A.; Kottsov, Sergey Yu.; Korlyukov, Alexander A.; Rudenko, Alexander Yu.","Unusual isostructural Br/I substitution effect on the crystal structure and optical properties of hybrid halobismuthates","New Journal of Chemistry","2023","47","5","2666","2672","10.1039/D2NJ05184B","","","0.71073","MoKα","","0.1076","0.0472","","","0.0891","0.106","","","","","","0.913","","","","has coordinates,has disorder","281513","2023-03-04","18:31:23",""
"7062223","11.6037","0.0005","12.4587","0.0003","22.322","0.0009","90","","90","","90","","3227","0.2","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F6 I N2 P -","- C12 H14 F6 I N2 P -","- C96 H112 F48 I8 N16 P8 -","8","1","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","","0.71073","MoKα","","0.0621","0.0404","","","0.1037","0.1222","","","","","","1.126","","","","has coordinates","281526","2023-03-04","18:34:09",""
"7062224","10.6696","0.0003","13.9953","0.0003","18.4479","0.0004","81.771","0.001","75.316","0.001","78.793","0.001","2601.11","0.11","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H26 Cl2 F18 I3 N12 P3 -","- C37 H26 Cl2 F18 I3 N12 P3 -","- C74 H52 Cl4 F36 I6 N24 P6 -","2","1","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","","0.71073","MoKα","","0.0581","0.0427","","","0.0927","0.1003","","","","","","1.019","","","","has coordinates,has disorder","281526","2023-03-04","18:34:09",""
"7062225","25.9324","0.0015","10.7459","0.0007","8.4481","0.0005","90","","92.962","0.006","90","","2351.1","0.2","120","0.1","120","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H20 F6 I N4 Sb -","- C14 H20 F6 I N4 Sb -","- C56 H80 F24 I4 N16 Sb4 -","4","0.5","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","x-ray","1.54184","CuKα","","0.0348","0.0311","","","0.0802","0.0832","","","","","","1.034","","","","has coordinates,has disorder","281526","2023-03-04","18:34:09",""
"7062226","27.1958","0.0006","27.1958","0.0006","7.8944","0.0002","90","","90","","120","","5056.5","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H11 I N2 O -","- C11 H11 I N2 O -","- C198 H198 I18 N36 O18 -","18","1","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","x-ray","1.54184","CuKα","","0.0172","0.0164","","","0.0404","0.0408","","","","","","1.051","","","","has coordinates","281526","2023-03-04","18:34:09",""
"7062227","15.7548","0.0005","9.8035","0.0003","30.8925","0.0008","90","","92.272","0.002","90","","4767.7","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F6 I N2 O4 P -","- C14 H14 F6 I N2 O4 P -","- C140 H140 F60 I10 N20 O40 P10 -","10","2.5","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","x-ray","1.54184","CuKα","","0.0861","0.0673","","","0.1879","0.2099","","","","","","1.094","","","","has coordinates","281526","2023-03-04","18:34:09",""
"7062228","7.5814","0.0002","7.6005","0.0003","7.6221","0.0003","88.9529","0.0016","80.0769","0.0013","88.2066","0.0014","432.38","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Mg N2 O12 -","- C12 H20 Mg N2 O12 -","- C12 H20 Mg N2 O12 -","1","0.5","","Balakrishnan, Prabha Devi; Arunadevi, Natarajan; Rath, Nigam P.; Kanchana, Ponnusamy; Premkumar, Thathan","A one-pot solid-state synthesis of MgO nanoparticles and their catalytic, biological, and electrochemical sensor activities: hexaaquamagnesium(ii) bis(6-oxo-1,6-dihydropyridine-3-carboxylate) as a tool","New Journal of Chemistry","2023","47","8","3880","3891","10.1039/D2NJ05382A","","","0.71073","MoKα","","0.0438","0.0393","","","0.0986","0.1014","","","","","","1.159","","","","has coordinates,has disorder","281503","2023-03-04","18:30:08",""
"7062229","9.1555","0.0006","10.4074","0.0007","11.9079","0.0007","103.303","0.002","99.29","0.002","112.822","0.002","977.2","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","SS2-89F3","(E)-4-methyl-N'-(1-methyl-2-oxoindolin-3-ylidene)-N-phenylbenzenesulfonohydrazide","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C44 H38 N6 O6 S2 -","2","1","","Smile, Suresh Snoxma; Shanmugam, Ponnusamy","N–S bond cleavage of tosyl hydrazones by dual reactive arynes: synthesis of diaryl sulfones, spiro[indazole-3,3′-indolin]-2′-one, and N-phenyl sulfonohydrazides","New Journal of Chemistry","2023","47","8","3856","3863","10.1039/D3NJ00050H","","","0.71073","MoKα","","0.0846","0.0511","","","0.1096","0.1251","","","","","","1.027","","","","has coordinates","281500","2023-03-04","18:29:44",""
"7062230","13.0543","0.0013","7.8336","0.0008","11.5876","0.0012","90","","95.968","0.003","90","","1178.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SS2-91F1","4,4'-sulfonylbis(methylbenzene)","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Smile, Suresh Snoxma; Shanmugam, Ponnusamy","N–S bond cleavage of tosyl hydrazones by dual reactive arynes: synthesis of diaryl sulfones, spiro[indazole-3,3′-indolin]-2′-one, and N-phenyl sulfonohydrazides","New Journal of Chemistry","2023","47","8","3856","3863","10.1039/D3NJ00050H","","","0.71073","MoKα","","0.0918","0.0524","","","0.0991","0.1198","","","","","","1.039","","","","has coordinates","281500","2023-03-04","18:29:44",""
"7062231","8.7215","0.0004","8.0965","0.0004","21.5872","0.0011","90","","98.01","0.002","90","","1509.48","0.13","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SS2-99F1","4'-methoxyspiro[fluorene-9,3'-indazole]","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Smile, Suresh Snoxma; Shanmugam, Ponnusamy","N–S bond cleavage of tosyl hydrazones by dual reactive arynes: synthesis of diaryl sulfones, spiro[indazole-3,3′-indolin]-2′-one, and N-phenyl sulfonohydrazides","New Journal of Chemistry","2023","47","8","3856","3863","10.1039/D3NJ00050H","","","0.71073","MoKα","","0.0914","0.0495","","","0.1136","0.1405","","","","","","1.031","","","","has coordinates","281500","2023-03-04","18:29:44",""
"7062232","12.2098","0.0008","8.7386","0.0006","13.4142","0.0009","90","","108.433","0.002","90","","1357.82","0.16","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N3 O -","- C15 H10 Br N3 O -","- C60 H40 Br4 N12 O4 -","4","1","","Smile, Suresh Snoxma; Shanmugam, Ponnusamy","N–S bond cleavage of tosyl hydrazones by dual reactive arynes: synthesis of diaryl sulfones, spiro[indazole-3,3′-indolin]-2′-one, and N-phenyl sulfonohydrazides","New Journal of Chemistry","2023","47","8","3856","3863","10.1039/D3NJ00050H","","","0.71073","MoKα","","0.081","0.0453","","","0.1039","0.1172","","","","","","1.021","","","","has coordinates","281500","2023-03-04","18:29:44",""
"7062233","9.3989","0.0004","10.3835","0.0004","37.4316","0.0015","90","","90","","90","","3653.1","0.3","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-((R)-1-(2-methoxyphenyl)-2-phenylethyl)piperidine, monohydrochloride; R-MXP; methoxyphenidine hydrochloride; methoxphenidinium chloride","methoxphenidine hydrochloride, R-enantiomer","","- C20 H26 Cl N O -","- C20 H26 Cl N O -","- C160 H208 Cl8 N8 O8 -","8","2","","Jurásek, Bronislav; Fagan, Patrik; Dolenský, Bohumil; Paškanová, Natalie; Dobšíková, Kristýna; Raich, Ivan; Jurok, Radek; Setnička, Vladimír; Kohout, Michal; Čejka, Jan; Kuchař, Martin","A structural spectroscopic study of dissociative anaesthetic methoxphenidine","New Journal of Chemistry","2023","47","9","4543","4551","10.1039/D2NJ06126K","","","1.5418","CuKα","","0.0355","0.033","","0.0894","0.0857","0.0894","","","","","","0.9839","","","","has coordinates","281537","2023-03-04","18:36:08",""
"7062234","13.6378","0.0007","17.7192","0.0009","17.8331","0.0009","90","","92.0637","0.0009","90","","4306.6","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H64 Bi2 K N2 O6 Rh2 -","- C37 H64 Bi2 K N2 O6 Rh2 -","- C148 H256 Bi8 K4 N8 O24 Rh8 -","4","2","","Liang, Zhibing; Lin, Lifang; Liang, Yuanwei; Wang, Yi","Capture of [Bi4]6− and [Bi3]5− anions by [Rh(L)]+ (L = COD) cations in the closo heteroatomic clusters {Bi4[Rh(L)]4}2− and {Bi3[Rh(L)]3}2−","New Journal of Chemistry","2023","47","8","3993","3998","10.1039/D2NJ05883A","","","0.71073","MoKα","","0.0499","0.0357","","","0.0652","0.0682","","","","","","1","","","","has coordinates,has disorder","281502","2023-03-04","18:30:03",""
"7062235","10.8655","0.0006","14.0066","0.0008","24.6791","0.0014","85.315","0.002","77.69","0.002","84.06","0.002","3642.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H112 Bi3 K2 N5 O12 Rh3 -","- C61 H112 Bi3 K2 N5 O12 Rh3 -","- C122 H224 Bi6 K4 N10 O24 Rh6 -","2","1","","Liang, Zhibing; Lin, Lifang; Liang, Yuanwei; Wang, Yi","Capture of [Bi4]6− and [Bi3]5− anions by [Rh(L)]+ (L = COD) cations in the closo heteroatomic clusters {Bi4[Rh(L)]4}2− and {Bi3[Rh(L)]3}2−","New Journal of Chemistry","2023","47","8","3993","3998","10.1039/D2NJ05883A","","","0.41328","synchrotron","","0.0261","0.023","","","0.0536","0.0547","","","","","","1","","","","has coordinates","281502","2023-03-04","18:30:03",""
"7062236","8.7966","0.0018","14.281","0.003","15.932","0.003","110.62","0.03","90.92","0.03","106.07","0.03","1785.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 Br N7 O4 -","- C37 H34 Br N7 O4 -","- C74 H68 Br2 N14 O8 -","2","1","","Farhid, Hassan; Araghi, Hanieh Mohammadi; Shaabani, Ahmad; Notash, Behrouz","Sustainable synthesis of structures containing quinoxaline-pseudopeptide-triazole pharmacophores via a one-pot six-component reaction","New Journal of Chemistry","2023","47","7","3234","3241","10.1039/D2NJ06207K","","","0.71073","MoKα","","0.2891","0.1316","","","0.2821","0.3548","","","","","","0.942","","","","has coordinates","281529","2023-03-04","18:34:27",""
"7062237","24.8057","0.0006","15.1639","0.0004","21.0939","0.0006","90","","90","","90","","7934.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C68 H92 B40 N4 -","- C68 H92 B40 N4 -","- C272 H368 B160 N16 -","4","1","","Xu, Chunyue; Li, Tianrui; Miao, Jinling; Liu, Kexin; Nie, Yong; Liu, Guangning; Jiang, Xuchuan","Bridged o-carborane–anthracene dyads as dual state emission luminogens: synthesis, characterization, and mechanochromic properties","New Journal of Chemistry","2023","47","9","4448","4456","10.1039/D3NJ00027C","","x-ray","0.71073","MoKα","","0.1145","0.0686","","","0.1613","0.1947","","","","","","1.013","","","","has coordinates","281536","2023-03-04","18:36:02",""
"7062238","11.5904","0.0008","12.0469","0.0006","15.6608","0.0009","90","","106.843","0.007","90","","2092.9","0.2","150","0.4","150","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl2.34 N O Pd Te -","- C23 H19 Cl2.36 N O Pd Te -","- C92 H76 Cl9.44 N4 O4 Pd4 Te4 -","4","1","","Oswal, Preeti; Arora, Aayushi; Purohit, Suraj; Bahuguna, Anurag; Sharma, Pankaj; Roy, Jiben; Kumar, Arun","Metal-metalloid bond containing complexes of the bulky organotellurium ligand: applications in catalysis of C–O coupling and aldehyde to amide transformation reactions","New Journal of Chemistry","2023","47","9","4346","4354","10.1039/D2NJ04408K","","","0.71073","MoKα","","0.0807","0.0559","","","0.1297","0.1598","","","","","","1.106","","","","has coordinates,has disorder","281535","2023-03-04","18:35:54",""
"7062239","10.9686","0.0005","11.5281","0.0006","15.8156","0.0009","110.209","0.005","92.595","0.004","101.402","0.004","1825.61","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H36 Cl F6 N2 P Ru Te -","- C35 H36 Cl F6 N2 P Ru Te -","- C70 H72 Cl2 F12 N4 P2 Ru2 Te2 -","2","1","","Oswal, Preeti; Arora, Aayushi; Purohit, Suraj; Bahuguna, Anurag; Sharma, Pankaj; Roy, Jiben; Kumar, Arun","Metal-metalloid bond containing complexes of the bulky organotellurium ligand: applications in catalysis of C–O coupling and aldehyde to amide transformation reactions","New Journal of Chemistry","2023","47","9","4346","4354","10.1039/D2NJ04408K","","","0.71073","MoKα","","0.0618","0.0444","","","0.1081","0.1286","","","","","","1.0771","","","","has coordinates,has disorder","281535","2023-03-04","18:35:54",""
"7062240","8.3998","0.0014","5.6694","0.0009","12.814","0.002","90","","106.089","0.006","90","","586.32","0.16","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","TJ-PhBF","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Jeong, Taejoo; Okanishi, Yusuke; Yotsui, Sora; Kim, In Su; Yoshimitsu, Takehiko","Organic redox cascade cyclization of 2-alkynylquinones by ascorbic acid in combination with a copper catalyst and its application to formal synthesis of liphagal","New Journal of Chemistry","2023","47","7","3425","3429","10.1039/D2NJ05724G","","","0.71073","MoKα","","0.0559","0.0429","","","0.0906","0.0957","","","","","","1.073","","","","has coordinates","281528","2023-03-04","18:34:21",""
"7062241","13.636","0.0005","11.6774","0.0004","20.3107","0.0007","90","","91.2258","0.0012","90","","3233.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F12 Ir N10 P2 -","- C30 H21 F12 Ir N10 P2 -","- C120 H84 F48 Ir4 N40 P8 -","4","1","","Troya, José; Quesada-Moreno, María Mar; Jiménez, Juan-Ramón; Herrera, Juan Manuel","Unprecedented Ir(iii) cationic complexes based on tridentate tetrazolate ligands: synthesis, photophysics and encapsulation in SiO2 nanoparticles","New Journal of Chemistry","2023","47","9","4577","4585","10.1039/D2NJ06037J","","","0.71073","MoKα","","0.032","0.0241","","","0.0513","0.0542","","","","","","1.175","","","","has coordinates,has disorder","281538","2023-03-04","18:36:16",""
"7062242","18.841","0.003","12.3097","0.0019","18.522","0.004","90","","120.168","0.003","90","","3713.9","1.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 F6 Ir N16 P -","- C34 H26 F6 Ir N16 P -","- C136 H104 F24 Ir4 N64 P4 -","4","0.5","","Troya, José; Quesada-Moreno, María Mar; Jiménez, Juan-Ramón; Herrera, Juan Manuel","Unprecedented Ir(iii) cationic complexes based on tridentate tetrazolate ligands: synthesis, photophysics and encapsulation in SiO2 nanoparticles","New Journal of Chemistry","2023","47","9","4577","4585","10.1039/D2NJ06037J","","","0.71073","MoKα","","0.0164","0.0151","","","0.0386","0.039","","","","","","1.119","","","","has coordinates","281538","2023-03-04","18:36:16",""
"7062243","22.3632","0.0016","7.4787","0.0006","18.622","0.0015","90","","90","","90","","3114.5","0.4","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C34 H34 Li2 N4 O2 S2 -","- C34 H34 Li2 N4 O2 S2 -","- C136 H136 Li8 N16 O8 S8 -","4","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0501","0.039","","","0.0944","0.1009","","","","","","1.044","","","","has coordinates","281533","2023-03-04","18:35:30",""
"7062244","8.7223","0.0005","39.088","0.002","11.8281","0.0006","90","","92.411","0.002","90","","4029.1","0.4","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H42 Cl2 Ho Li N4 O2 S2 Si -","- C39.5 H42 Cl2 Ho Li N4 O2 S2 Si -","- C158 H168 Cl8 Ho4 Li4 N16 O8 S8 Si4 -","4","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0661","0.0448","","","0.0816","0.0892","","","","","","1.016","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062245","24.453","0.0009","11.5979","0.0005","19.0911","0.0008","90","","112.782","0.002","90","","4991.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N4 S2 Si -","- C28 H24 N4 S2 Si -","- C224 H192 N32 S16 Si8 -","8","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0645","0.0543","","","0.108","0.1119","","","","","","1.17","","","","has coordinates","281533","2023-03-04","18:35:30",""
"7062246","14.2687","0.0005","23.7559","0.0009","25.5065","0.001","90","","90","","90","","8645.8","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 Li2 N4 O4 S2 Si -","- C44 H54 Li2 N4 O4 S2 Si -","- C352 H432 Li16 N32 O32 S16 Si8 -","8","2","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0718","0.0527","","","0.1314","0.1474","","","","","","1.031","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062247","16.5473","0.0011","21.5497","0.0013","20.7855","0.0015","90","","96.833","0.002","90","","7359.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H84 La Li N8 O4 S4 Si2 -","- C79 H84 La Li N8 O4 S4 Si2 -","- C316 H336 La4 Li4 N32 O16 S16 Si8 -","4","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0737","0.0443","","","0.0837","0.0952","","","","","","1.019","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062248","19.8134","0.0008","22.6439","0.0008","17.0123","0.0005","90","","90","","90","","7632.6","0.5","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C80 H92 Li N8 Nd O6 S4 Si2 -","- C80 H92 Li N8 Nd O6 S4 Si2 -","- C320 H368 Li4 N32 Nd4 O24 S16 Si8 -","4","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0556","0.0369","","","0.0835","0.0952","","","","","","1.028","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062249","16.0298","0.0009","17.5784","0.0011","26.4091","0.0016","90","","96.461","0.002","90","","7394.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H84 K La N8 O5 S4 Si2 -","- C76 H84 K La N8 O5 S4 Si2 -","- C304 H336 K4 La4 N32 O20 S16 Si8 -","4","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0411","0.0311","","","0.0685","0.0742","","","","","","1.021","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062250","12.3738","0.0003","18.5982","0.0004","18.9764","0.0005","90.213","0.001","91.559","0.001","108.26","0.001","4145.26","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H100 Gd K N8 O7 S4 Si2 -","- C84 H100 Gd K N8 O7 S4 Si2 -","- C168 H200 Gd2 K2 N16 O14 S8 Si4 -","2","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0626","0.0465","","","0.0917","0.1008","","","","","","1.022","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062251","19.5493","0.0007","22.503","0.0007","17.3269","0.0006","90","","90","","90","","7622.4","0.4","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C80 H92 Li N8 O6 S4 Si2 Y -","- C80 H92 Li N8 O6 S4 Si2 Y -","- C320 H368 Li4 N32 O24 S16 Si8 Y4 -","4","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0731","0.0423","","","0.098","0.1155","","","","","","1.017","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062252","11.261","0.006","14.816","0.008","17.804","0.009","90","","105.319","0.015","90","","2865","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O4 Ru S2 -","- C28 H34 N4 O4 Ru S2 -","- C112 H136 N16 O16 Ru4 S8 -","4","1","","Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh","N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties","New Journal of Chemistry","2023","47","7","3492","3501","10.1039/D2NJ05295D","","","0.71073","MoKα","","0.0656","0.0501","","","0.116","0.1453","","","","","","1.1485","","","","has coordinates","283409","2023-05-05","03:04:31",""
"7062253","16.0714","0.0013","10.2764","0.0008","8.3434","0.0007","90","","95.284","0.002","90","","1372.11","0.19","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H28 Cl2 N4 O2 Ru S2 -","- C26 H28 Cl2 N4 O2 Ru S2 -","- C52 H56 Cl4 N8 O4 Ru2 S4 -","2","0.5","","Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh","N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties","New Journal of Chemistry","2023","47","7","3492","3501","10.1039/D2NJ05295D","","","0.71073","MoKα","","0.0137","0.0137","","","0.0362","0.0362","","","","","","1.0289","","","","has coordinates","283409","2023-05-05","03:04:31",""
"7062254","14.9301","0.0012","12.2534","0.001","14.5416","0.0012","90","","97.136","0.002","90","","2639.7","0.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N4 O2 Ru S2 -","- C26 H30 N4 O2 Ru S2 -","- C104 H120 N16 O8 Ru4 S8 -","4","0.5","","Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh","N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties","New Journal of Chemistry","2023","47","7","3492","3501","10.1039/D2NJ05295D","","","0.71073","MoKα","","0.0436","0.0355","","","0.0808","0.0932","","","","","","1.1054","","","","has coordinates","283409","2023-05-05","03:04:31",""
"7062255","9.9413","0.0011","21.144","0.002","13.6997","0.0014","90","","101.252","0.003","90","","2824.3","0.5","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O2 Ru S2 -","- C28 H34 N4 O2 Ru S2 -","- C112 H136 N16 O8 Ru4 S8 -","4","1","","Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh","N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties","New Journal of Chemistry","2023","47","7","3492","3501","10.1039/D2NJ05295D","","","0.71073","MoKα","","0.0364","0.0298","","","0.074","0.0829","","","","","","1.0845","","","","has coordinates","283409","2023-05-05","03:04:31",""
"7062256","26.379","0.004","21.639","0.003","17.878","0.003","90","","125.264","0.004","90","","8332","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl2 N6 O24 Re4 S4 -","- C72 H60 Cl2 N6 O24 Re4 S4 -","- C288 H240 Cl8 N24 O96 Re16 S16 -","4","0.5","","Varghese, Jisna; Kumar, Udit; Jose, Shilpa; Magray, Aamir Afzal; Yeswanth Kumar, S.; Padmanaban, R.; Manimaran, Bala.","Self-assembly of thiolato-bridged ester-functionalized Re(i)-based tetranuclear spiro-metallacyclophanes","New Journal of Chemistry","2023","47","7","3582","3590","10.1039/D2NJ04784E","","","0.71073","MoKα","","0.0564","0.0452","","","0.1259","0.1394","","","","","","1.0551","","","","has coordinates","281531","2023-03-04","18:35:00",""
"7062257","11.2545","0.0007","11.9688","0.0008","12.3424","0.0007","93.043","0.002","113.419","0.002","112.323","0.003","1369.89","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H36 B20 N8 O56 V6 -","- C8 H36 B20 N8 O56 V6 -","- C8 H36 B20 N8 O56 V6 -","1","0.5","","Liu, Xinxin; Wang, Xianyu; Guo, Biao; Zhao, Sisi; Zhou, Lijing; Kong, Lian; Zhao, Zhen","Synthesis and proton conducting ability of a crystalline 3-D vanadoborate with [V6B20] architectures","New Journal of Chemistry","2023","47","7","3628","3634","10.1039/D2NJ05801D","","","0.71073","MoKα","","0.0629","0.0566","","","0.1358","0.1427","","","","","","1.085","","","","has coordinates,has disorder","281530","2023-03-04","18:34:33",""
"7062258","8.0186","0.0005","11.8251","0.0006","14.937","0.0008","89.886","0.002","88.569","0.002","80.02","0.002","1394.47","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H8 Br Cl I N O -","- C13 H8 Br Cl I N O -","- C52 H32 Br4 Cl4 I4 N4 O4 -","4","2","","Ahangar, Aadil A.; Ahmad, Ishtiyaq; Dar, Aijaz A.","AIE in the halogenated anils and their utilization as fluorescent probes for explosive nitro-aromatics","New Journal of Chemistry","2023","47","10","4775","4783","10.1039/D2NJ05306C","","","0.71073","MoKα","","0.0792","0.0698","","","0.1828","0.1962","","","","","","1.107","","","","has coordinates","283373","2023-05-05","02:51:38",""
"7062259","7.9582","0.0002","8.5499","0.0002","11.2354","0.0003","87.144","0.002","76.439","0.002","66.457","0.003","680.48","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Cl I2 N O -","- C13 H8 Cl I2 N O -","- C26 H16 Cl2 I4 N2 O2 -","2","1","","Ahangar, Aadil A.; Ahmad, Ishtiyaq; Dar, Aijaz A.","AIE in the halogenated anils and their utilization as fluorescent probes for explosive nitro-aromatics","New Journal of Chemistry","2023","47","10","4775","4783","10.1039/D2NJ05306C","","","0.71073","MoKα","","0.0228","0.021","","","0.0501","0.0512","","","","","","1.052","","","","has coordinates","283373","2023-05-05","02:51:39",""
"7062260","7.9091","0.0005","8.4598","0.0006","11.0761","0.0007","86.407","0.005","74.604","0.006","64.696","0.007","644.85","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Cl2 I N O -","- C13 H8 Cl2 I N O -","- C26 H16 Cl4 I2 N2 O2 -","2","1","","Ahangar, Aadil A.; Ahmad, Ishtiyaq; Dar, Aijaz A.","AIE in the halogenated anils and their utilization as fluorescent probes for explosive nitro-aromatics","New Journal of Chemistry","2023","47","10","4775","4783","10.1039/D2NJ05306C","","x-ray","0.71073","MoKα","","0.0534","0.04","","","0.0945","0.108","","","","","","0.936","","","","has coordinates","283373","2023-05-05","02:51:39",""
"7062261","11.6403","0.0014","18.4301","0.001","18.5637","0.0016","60.565","0.011","80.343","0.015","75.89","0.015","3358.4","0.7","200","2","200","2","","","","","","","no","3","P -1","-P 1","2","fluorene_MolGyro","C18Flu_cage","","- C69 H120 Si2 -","- C69 H120 Si2 -","- C138 H240 Si4 -","2","1","","Yoshizawa, Reina; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl bridged molecular gyrotops: effects of slight fluorophore motion on fluorescence efficiency in the solid state","New Journal of Chemistry","2023","47","12","5946","5952","10.1039/D2NJ05873A","","","0.71073","MoKα","","0.2064","0.1248","","","0.3516","0.3847","","","","","","1.06","","","","has coordinates,has disorder","283423","2023-05-05","03:07:18",""
"7062262","21.6843","0.0002","21.6843","0.0002","9.7108","0.0002","90","","90","","90","","4566.1","0.11","200","2","200","2","","","","","","","no","2","I 41/a :2","-I 4ad","88","Me2Flu","9,9-dimethylfluorene","","- C15 H14 -","- C15 H14 -","- C240 H224 -","16","1","","Yoshizawa, Reina; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl bridged molecular gyrotops: effects of slight fluorophore motion on fluorescence efficiency in the solid state","New Journal of Chemistry","2023","47","12","5946","5952","10.1039/D2NJ05873A","","","1.54178","CuKα","","0.0564","0.0536","","","0.1285","0.1311","","","","","","1.078","","","","has coordinates","283423","2023-05-05","03:07:18",""
"7062263","14.1329","0.0003","6.5946","0.0001","23.4684","0.0005","90","","105.669","0.001","90","","2105.99","0.07","200","2","200","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","TMS2Me2Flu","2,7-Bis(trimethylsilyl)-9,9-dimethylfluorene","","- C21 H30 Si2 -","- C21 H30 Si2 -","- C84 H120 Si8 -","4","1","","Yoshizawa, Reina; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl bridged molecular gyrotops: effects of slight fluorophore motion on fluorescence efficiency in the solid state","New Journal of Chemistry","2023","47","12","5946","5952","10.1039/D2NJ05873A","","","1.54178","CuKα","","0.042","0.041","","","0.1049","0.1059","","","","","","1.082","","","","has coordinates","283423","2023-05-05","03:07:18",""
"7062264","34.1454","0.0008","24.909","0.0006","22.8091","0.0005","90","","119.318","0.001","90","","16915","0.7","180","2","180","2","","","","","","","no","4","C 1 2/c 1","-C 2yc","15","C22Flu","C22Flu_2EtOH","","- C85 H156 O2 Si2 -","- C85 H156 O2 Si2 -","- C680 H1248 O16 Si16 -","8","1","","Yoshizawa, Reina; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl bridged molecular gyrotops: effects of slight fluorophore motion on fluorescence efficiency in the solid state","New Journal of Chemistry","2023","47","12","5946","5952","10.1039/D2NJ05873A","","","1.54178","CuKα","","0.1921","0.139","","","0.3924","0.4429","","","","","","1.434","","","","has coordinates","283423","2023-05-05","03:07:18",""
"7062265","8.9646","0.0002","9.4002","0.0002","13.4196","0.0003","73.897","0.002","86.405","0.002","78.889","0.002","1066.07","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31 Cl2 Ir N2 -","- C20 H31 Cl2 Ir N2 -","- C40 H62 Cl4 Ir2 N4 -","2","1","","van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé","Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions","New Journal of Chemistry","2023","47","11","5203","5215","10.1039/D2NJ05727A","","","1.54184","CuKα","","0.0268","0.0265","","","0.0685","0.0687","","","","","","1.127","","","","has coordinates","283414","2023-05-05","03:05:51",""
"7062266","8.447","0.0001","15.3306","0.0002","24.2878","0.0003","90","","94.464","0.001","90","","3135.67","0.07","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Cl2 Ir N2 -","- C14 H21 Cl2 Ir N2 -","- C112 H168 Cl16 Ir8 N16 -","8","1","","van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé","Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions","New Journal of Chemistry","2023","47","11","5203","5215","10.1039/D2NJ05727A","","","1.54184","CuKα","","0.0502","0.0453","","","0.1071","0.1098","","","","","","1.084","","","","has coordinates","283414","2023-05-05","03:05:51",""
"7062267","35.654","0.0004","8.4996","0.0001","22.7872","0.0002","90","","127.34","0.001","90","","5490.25","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl2 Ir2 N2 -","- C28 H40 Cl2 Ir2 N2 -","- C224 H320 Cl16 Ir16 N16 -","8","1","","van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé","Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions","New Journal of Chemistry","2023","47","11","5203","5215","10.1039/D2NJ05727A","","","1.54184","CuKα","","0.0513","0.0485","","","0.1409","0.1437","","","","","","1.066","","","","has coordinates","283414","2023-05-05","03:05:51",""
"7062268","8.9025","0.0001","26.1483","0.0003","20.4947","0.0002","90","","90.26","0.001","90","","4770.81","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl Ir N2 -","- C27 H30 Cl Ir N2 -","- C216 H240 Cl8 Ir8 N16 -","8","2","","van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé","Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions","New Journal of Chemistry","2023","47","11","5203","5215","10.1039/D2NJ05727A","","","1.54184","CuKα","","0.0512","0.0479","","","0.1071","0.1087","","","","","","1.108","","","","has coordinates,has disorder","283414","2023-05-05","03:05:51",""
"7062269","23.8122","0.0001","8.674","","21.1536","0.0001","90","","90","","90","","4369.21","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H30 Cl Ir N2 -","- C24 H30 Cl Ir N2 -","- C192 H240 Cl8 Ir8 N16 -","8","2","","van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé","Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions","New Journal of Chemistry","2023","47","11","5203","5215","10.1039/D2NJ05727A","","","1.54184","CuKα","","0.0227","0.0223","","","0.0573","0.0575","","","","","","1.042","","","","has coordinates","283414","2023-05-05","03:05:51",""
"7062270","7.4987","0.0006","9.433","0.0007","11.6092","0.0009","101.126","0.002","103.873","0.002","98.613","0.002","765.5","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O Pd S -","- C14 H12 Cl2 N2 O Pd S -","- C28 H24 Cl4 N4 O2 Pd2 S2 -","2","1","","Das, Akash; Saha, Moumita; Mandal, Subrata; Das, Sanjib; Das Saha, Krishna; Mondal, Tapan K.","New palladium(ii) and platinum(ii) complexes with an ONS donor azo-thioether pincer ligand: synthesis, characterization, protein binding study and in vitro cytotoxicity","New Journal of Chemistry","2023","47","10","4931","4943","10.1039/D3NJ00334E","","","0.71073","MoKα","","0.0285","0.0278","","","0.0748","0.0758","","","","","","1.094","","","","has coordinates","283375","2023-05-05","02:51:53",""
"7062271","10.1219","0.0011","12.2233","0.0013","13.6071","0.0015","109.453","0.003","95.228","0.003","96.489","0.003","1562.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O Pt S -","- C14 H12 Cl2 N2 O Pt S -","- C56 H48 Cl8 N8 O4 Pt4 S4 -","4","2","","Das, Akash; Saha, Moumita; Mandal, Subrata; Das, Sanjib; Das Saha, Krishna; Mondal, Tapan K.","New palladium(ii) and platinum(ii) complexes with an ONS donor azo-thioether pincer ligand: synthesis, characterization, protein binding study and in vitro cytotoxicity","New Journal of Chemistry","2023","47","10","4931","4943","10.1039/D3NJ00334E","","","0.71073","MoKα","","0.0324","0.0249","","","0.0595","0.0638","","","","","","1.023","","","","has coordinates","283375","2023-05-05","02:51:56",""
"7062272","18.277","0.002","14.732","0.002","39.413","0.003","90","","102.235","0.01","90","","10371","2","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-cyclo-[2,6-diethynyl-4-isopropylphenyl pivalate]","","- C116 H126 O12 -","- C116 H126 O12 -","- C464 H504 O48 -","4","1","","Małecki, Marcin S.; Dopieralski, Przemysław; Gulia, Nurbey; Pigulski, Bartłomiej; Lis, Tadeusz; Szafert, Sławomir","Better big or strained? Deformations of shape persistent arylene butadiynylene macrocycles","New Journal of Chemistry","2023","47","13","6086","6094","10.1039/D3NJ00155E","","","1.54184","CuKα","","0.3711","0.1547","","","0.3642","0.487","","","","","","1.008","","","","has coordinates","283399","2023-05-05","02:59:04",""
"7062273","13.114","0.0011","22.1265","0.0019","24.9668","0.0019","90","","100.749","0.014","90","","7117.4","1.1","103","4","103","4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79.25 H79.71 O5 -","- C79.256 H79.728 O5 -","- C317.024 H318.912 O20 -","4","1","","Małecki, Marcin S.; Dopieralski, Przemysław; Gulia, Nurbey; Pigulski, Bartłomiej; Lis, Tadeusz; Szafert, Sławomir","Better big or strained? Deformations of shape persistent arylene butadiynylene macrocycles","New Journal of Chemistry","2023","47","13","6086","6094","10.1039/D3NJ00155E","","","0.71073","MoKα","","0.2856","0.1427","","","0.3307","0.3806","","","","","","1.035","","","","has coordinates","283399","2023-05-05","02:59:14",""
"7062274","10.5926","0.0002","11.288","0.0002","13.4778","0.0003","94.876","0.002","91.993","0.002","96.337","0.002","1594.3","0.06","293","2","293","","","","","","","","","5","P -1","-P 1","2","","spirooxindole","","- C2.7 H2.61 N0.52 O0.43 S0.09 -","- C2.69565 H2.6087 N0.521739 O0.434783 S0.0869565 -","- C62 H60 N12 O10 S2 -","23","11.5","","Duhan, Meenakshi; Singh, Rahul; Devi, Meena; Sindhu, Jayant; Kumar, Parvin; Kumar, Sudhir; Kataria, Ramesh; Kumar, Ashwani; Lal, Sohan; Singh, Devender","Thiazolidine-2,4-dione framework containing spiropyrrolidine-oxindole and 1,2,3-triazole scaffold: synthesis, in vitro α-amylase inhibition and in silico studies","New Journal of Chemistry","2023","47","11","5399","5412","10.1039/D2NJ05059E","","x-ray","0.71073","MoKα","","0.0654","0.0476","","","0.1194","0.1308","","","","","","1.124","","","","has coordinates","283415","2023-05-05","03:05:58",""
"7062275","10.9995","0.0005","24.4727","0.0016","12.197","0.0005","90","","91.005","0.004","90","","3282.8","0.3","102","3","102","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H46 F24 Mn2 N2 O10 -","- C66 H46 F24 Mn2 N2 O10 -","- C132 H92 F48 Mn4 N4 O20 -","2","0.5","","Osipov, Nikita G.; Faraonov, Maxim A.; Shestakov, Alexander F.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Binuclear coordination complex of open merocyanine form of photochromic spiropyran with MnII(hfac)2 having high spin (S = 5) ground state","New Journal of Chemistry","2023","47","11","5470","5476","10.1039/D3NJ00058C","","x-ray","0.71073","MoKα","","0.1083","0.0628","","","0.1221","0.1432","","","","","","1.033","","","","has coordinates","283416","2023-05-05","03:06:04",""
"7062276","13.705","0.003","13.864","0.003","17.875","0.005","85.29","0.007","74.68","0.007","82.395","0.007","3242.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H55 Cl3 N6 O4 -","- C81 H55 Cl3 N6 O4 -","- C162 H110 Cl6 N12 O8 -","2","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.3352","0.1218","","","0.2426","0.2998","","","","","","0.906","","","","has coordinates","283403","2023-05-05","03:01:24",""
"7062277","17.2","0.004","9.5522","0.0019","22.075","0.005","90","","110.167","0.007","90","","3404.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl3 N4 O3 -","- C36 H33 Cl3 N4 O3 -","- C144 H132 Cl12 N16 O12 -","4","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.1592","0.1006","","","0.3019","0.3344","","","","","","1.065","","","","has coordinates","283403","2023-05-05","03:01:35",""
"7062278","11.3215","0.0004","12.4187","0.0005","13.2902","0.0005","114.137","0.0012","110.598","0.0012","97.3589","0.0013","1513.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H29 N3 O2 -","- C41 H29 N3 O2 -","- C82 H58 N6 O4 -","2","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.0676","0.0456","","","0.1072","0.1192","","","","","","1.027","","","","has coordinates,has disorder","283403","2023-05-05","03:01:37",""
"7062279","29.965","0.006","10.1561","0.0019","27.43","0.006","90","","101.793","0.006","90","","8172","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 N4 O3 -","- C43 H32 N4 O3 -","- C344 H256 N32 O24 -","8","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.1579","0.1073","","","0.3132","0.3406","","","","","","0.98","","","","has coordinates,has disorder","283403","2023-05-05","03:01:39",""
"7062280","12.284","0.003","12.5","0.003","15.924","0.003","74.639","0.007","86.466","0.007","65.105","0.006","2135.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H25 N3 O4 -","- C37 H25 N3 O4 -","- C74 H50 N6 O8 -","2","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.1274","0.0684","","","0.1902","0.2192","","","","","","1.048","","","","has coordinates","283403","2023-05-05","03:01:48",""
"7062281","11.3858","0.0005","11.7752","0.0005","15.6044","0.0007","77.5323","0.0013","83.5022","0.0014","66.2724","0.0012","1869.26","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H41 N5 O4 -","- C43 H41 N5 O4 -","- C86 H82 N10 O8 -","2","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.0934","0.0569","","","0.1353","0.1567","","","","","","1.018","","","","has coordinates","283403","2023-05-05","03:01:48",""
"7062282","10.131","0.002","11.507","0.003","15.601","0.004","72.289","0.007","86.07","0.008","68.259","0.007","1607.3","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 N4 O5 -","- C39 H30 N4 O5 -","- C78 H60 N8 O10 -","2","1","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.0882","0.0542","","","0.1306","0.1502","","","","","","1.02","","","","has coordinates","283403","2023-05-05","03:01:48",""
"7062283","30.155","0.003","9.1523","0.0009","25.15","0.003","90","","90","","90","","6941.1","1.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H27 F N4 O3 -","- C37 H27 F N4 O3 -","- C296 H216 F8 N32 O24 -","8","2","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.2335","0.1035","","","0.2609","0.301","","","","","","0.958","","","","has coordinates","283403","2023-05-05","03:01:48",""
"7062284","11.4909","0.0006","20.7682","0.0013","12.5771","0.0007","90","","115.248","0.002","90","","2714.7","0.3","120","2","120","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C52 H64 B Cl2 Cu F4 N6 P2 -","- C50 H60 B Cu F4 N6 P2 -","- C100 H120 B2 Cu2 F8 N12 P4 -","2","0.5","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0314","0.0312","","","0.0794","0.0795","","","","","","1.16","","","","has coordinates,has disorder","283419","2023-05-05","03:06:40",""
"7062285","11.3528","0.0005","22.4212","0.001","20.7154","0.0008","90","","101.49","0.002","90","","5167.3","0.4","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C51 H62 Br Cl2 Cu N6 P2 -","- C51 H62 Br Cl2 Cu N6 P2 -","- C204 H248 Br4 Cl8 Cu4 N24 P8 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0282","0.0259","","","0.0584","0.0601","","","","","","1.027","","","","has coordinates","283419","2023-05-05","03:06:40",""
"7062286","8.9997","0.0003","20.4818","0.0007","14.2314","0.0004","90","","107.334","0.001","90","","2504.14","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Au Cl N3 P -","- C25 H30 Au Cl N3 P -","- C100 H120 Au4 Cl4 N12 P4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0117","0.0111","","","0.0269","0.0271","","","","","","1.087","","","","has coordinates","283419","2023-05-05","03:06:40",""
"7062287","9.8737","0.0003","11.182","0.0003","15.0194","0.0005","75.1","0.001","86.198","0.001","85.197","0.001","1595.15","0.08","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H32 Au Cl2 F6 N3 P Sb -","- C25 H30 Au Cl F6 N3 P Sb -","- C50 H60 Au2 Cl2 F12 N6 P2 Sb2 -","2","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0242","0.0227","","","0.051","0.0519","","","","","","1.039","","","","has coordinates,has disorder","283419","2023-05-05","03:06:40",""
"7062288","8.5896","0.0003","9.5972","0.0003","19.1254","0.0005","85.717","0.001","81.756","0.001","84.901","0.001","1551.09","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 Au Cl4 N3 O P -","- C25 H33 Au Cl2 N3 O P -","- C50 H66 Au2 Cl4 N6 O2 P2 -","2","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0198","0.0193","","","0.0471","0.0472","","","","","","1.218","","","","has coordinates,has disorder","283419","2023-05-05","03:06:40",""
"7062289","8.1541","0.0004","16.2447","0.0008","23.8358","0.0012","90","","97.106","0.002","90","","3133.1","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 Au2 Cl4 F12 N6 P2 Sb2 -","- C52 H64 Au2 Cl4 F12 N6 P2 Sb2 -","- C104 H128 Au4 Cl8 F24 N12 P4 Sb4 -","2","0.5","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.021","0.0191","","","0.0431","0.0439","","","","","","1.105","","","","has coordinates","283419","2023-05-05","03:06:40",""
"7062290","9.0246","0.0003","13.8102","0.0004","41.5886","0.0014","90","","94.617","0.001","90","","5166.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Ag F6 N6 P2 Sb -","- C50 H60 Ag F6 N6 P2 Sb -","- C200 H240 Ag4 F24 N24 P8 Sb4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0394","0.0372","","","0.0728","0.0735","","","","","","1.214","","","","has coordinates","283419","2023-05-05","03:06:40",""
"7062291","11.2205","0.0002","20.5943","0.0004","21.9857","0.0005","90","","91.71","0.001","90","","5078.16","0.18","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Au F6 N6 P2 Sb -","- C50 H60 Au F6 N6 P2 Sb -","- C200 H240 Au4 F24 N24 P8 Sb4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.022","0.0181","","","0.036","0.0376","","","","","","1.038","","","","has coordinates","283419","2023-05-05","03:06:40",""
"7062292","9.2164","0.0003","16.5872","0.0005","18.3092","0.0006","90","","97.1255","0.0019","90","","2777.39","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl4 Fe N2 O4 -","- C28 H27 Cl4 Fe N2 O4 -","- C112 H108 Cl16 Fe4 N8 O16 -","4","1","","Mandal, Bikramaditya; Haldar, Anwesha; Ganguly, Rakesh; Saha, Rajat; Mandal, Debdas","A new mononuclear Fe(iii) Mannich-base complex with selective histidine binding and catechol oxidase activity","New Journal of Chemistry","2023","47","10","4698","4706","10.1039/D2NJ03501D","","","0.71073","MoKα","","0.053","0.0405","","","0.0893","0.0941","","","","","","1.026","","","","has coordinates","283374","2023-05-05","02:51:45",""
"7062293","7.506","0.004","9.968","0.005","12.308","0.006","97.824","0.008","102.058","0.007","98.891","0.007","876.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 F O2 -","- C26 H17 F O2 -","- C52 H34 F2 O4 -","2","1","","Nizar, Siti Nabilla Aliya Mohd; Rosli, Mohd Mustaqim; Samsuri, Siti Azrah Mohamad; Razak, Ibrahim Abdul; Arshad, Suhana","Involvement of halogen and polyaromatic substituents in chalcone derivatives as dye sensitizers in solar cell applications","New Journal of Chemistry","2023","47","12","5804","5815","10.1039/D2NJ05937A","","","0.71073","MoKα","","0.167","0.0705","","","0.1646","0.2311","","","","","","1.012","","","","has coordinates","283421","2023-05-05","03:06:56",""
"7062294","30.6","0.03","5.318","0.005","20.809","0.017","90","","92.487","0.015","90","","3383","5","296","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 Br O -","- C25 H15 Br O -","- C200 H120 Br8 O8 -","8","1","","Nizar, Siti Nabilla Aliya Mohd; Rosli, Mohd Mustaqim; Samsuri, Siti Azrah Mohamad; Razak, Ibrahim Abdul; Arshad, Suhana","Involvement of halogen and polyaromatic substituents in chalcone derivatives as dye sensitizers in solar cell applications","New Journal of Chemistry","2023","47","12","5804","5815","10.1039/D2NJ05937A","","","0.71073","MoKα","","0.2743","0.0872","","","0.1642","0.2499","","","","","","1.004","","","","has coordinates","283421","2023-05-05","03:06:56",""
"7062295","16.19","0.0003","9.4816","0.0001","14.9584","0.0003","90","","113.201","0.002","90","","2110.52","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N4 O2 S -","- C23 H24 N4 O2 S -","- C92 H96 N16 O8 S4 -","4","1","","Chen, Shuang; Yu, Ze-Hua; Wang, Wei-Na; Chen, Zi-Yue; Pan, Bo-Wen; Chen, Lin; Zhou, Ying; Liu, Xiong-Wei; Liu, Xiong-Li","Design, synthesis and evaluation of multi-pharmacophore-containing spiropolycyclic harmaline-based hybrids as anticancer agents","New Journal of Chemistry","2023","47","13","6073","6085","10.1039/D2NJ05987H","","x-ray","1.54184","CuKα","","0.0409","0.0394","","","0.1061","0.1073","","","","","","1.049","","","","has coordinates","283396","2023-05-05","02:58:33",""
"7062296","13.0162","0.0001","15.4077","0.0002","11.2315","0.0001","90","","98.516","0.001","90","","2227.64","0.04","295.55","0.1","295.55","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N4 O S -","- C25 H26 N4 O S -","- C100 H104 N16 O4 S4 -","4","1","","Chen, Shuang; Yu, Ze-Hua; Wang, Wei-Na; Chen, Zi-Yue; Pan, Bo-Wen; Chen, Lin; Zhou, Ying; Liu, Xiong-Wei; Liu, Xiong-Li","Design, synthesis and evaluation of multi-pharmacophore-containing spiropolycyclic harmaline-based hybrids as anticancer agents","New Journal of Chemistry","2023","47","13","6073","6085","10.1039/D2NJ05987H","","x-ray","1.54184","CuKα","","0.0438","0.0422","","","0.1081","0.1092","","","","","","1.172","","","","has coordinates","283396","2023-05-05","02:58:34",""
"7062297","39.6854","0.0008","12.6155","0.0002","7.4106","0.0002","90","","90","","90","","3710.13","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H41.64 N7 O10.32 V2 -","- C31 H41.64 N7 O10.32 V2 -","- C124 H166.56 N28 O41.28 V8 -","4","0.5","","Soltani, Fatemeh; Bikas, Rahman; Heydari, Neda; Kozakiewicz-Piekarz, Anna","Dinuclear oxidovanadium complexes with dihydrazone ligands derived from diethyl 2,6-dimethylpyridine-3,5-dicarboxylate obtained from Hantzsch reaction; crystal structure and catalytic activity","New Journal of Chemistry","2023","47","13","6102","6113","10.1039/D2NJ06279H","","","1.54184","CuKα","","0.0732","0.0696","","","0.1805","0.1822","","","","","","1.198","","","","has coordinates,has disorder","283394","2023-05-05","02:57:54",""
"7062298","7.1522","0.0004","15.2574","0.0007","25.8864","0.0012","90","","90.0557","0.0002","90","","2824.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N7 O11 V2 -","- C25 H31 N7 O11 V2 -","- C100 H124 N28 O44 V8 -","4","1","","Soltani, Fatemeh; Bikas, Rahman; Heydari, Neda; Kozakiewicz-Piekarz, Anna","Dinuclear oxidovanadium complexes with dihydrazone ligands derived from diethyl 2,6-dimethylpyridine-3,5-dicarboxylate obtained from Hantzsch reaction; crystal structure and catalytic activity","New Journal of Chemistry","2023","47","13","6102","6113","10.1039/D2NJ06279H","","","1.54184","CuKα","","0.0641","0.0624","","","0.1469","0.1476","","","","","","1.182","","","","has coordinates","283394","2023-05-05","02:57:54",""
"7062299","11.9611","0.0006","13.8587","0.0006","11.9663","0.0006","90","","102.052","0.002","90","","1939.88","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl2 N4 O Ru -","- C19 H22 Cl2 N4 O Ru -","- C76 H88 Cl8 N16 O4 Ru4 -","4","1","","Yarahmadi, Sana; Jokar, Elham; Shamsi, Zahra; Nahieh, Dalia; Moosavi, Mehrnoosh; Fereidoonnezhad, Masood; Shahsavari, Hamid R.","Synthesis of a half-sandwich complex of ruthenium(ii) with a nonsymmetric bis-nitrogen donor ligand: biological investigations","New Journal of Chemistry","2023","47","13","6266","6274","10.1039/D2NJ06075B","","","0.71073","MoKα","","0.0339","0.0266","","","0.0598","0.0641","","","","","","1.005","","","","has coordinates","283398","2023-05-05","02:58:52",""
"7062300","9.6002","0.0003","11.8988","0.0004","13.1563","0.0004","94.616","0.003","108.689","0.003","104.652","0.003","1355.75","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 N8 Ni2 O3 -","- C27 H32 N8 Ni2 O3 -","- C54 H64 N16 Ni4 O6 -","2","1","","Kundu, Subhankar; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar","Tailor-made isostructural copper(ii) and nickel(ii) complexes with a newly designed (N,N)-donor scaffold as functional mimics of alkaline phosphatase","New Journal of Chemistry","2023","47","12","5894","5902","10.1039/D2NJ06127A","","x-ray","0.71073","MoKα","","0.0586","0.0398","","","0.0872","0.0935","","","","","","1.045","","","","has coordinates","283420","2023-05-05","03:06:49",""
"7062301","16.385","0.0005","18.8935","0.0007","18.0821","0.0007","90","","92.669","0.003","90","","5591.6","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H57 Cu4 N16 O4 -","- C52 H57 Cu4 N16 O4 -","- C208 H228 Cu16 N64 O16 -","4","1","","Kundu, Subhankar; Saha, Subhajit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar","Tailor-made isostructural copper(ii) and nickel(ii) complexes with a newly designed (N,N)-donor scaffold as functional mimics of alkaline phosphatase","New Journal of Chemistry","2023","47","12","5894","5902","10.1039/D2NJ06127A","","x-ray","0.71073","MoKα","","0.09","0.052","","","0.1282","0.1573","","","","","","1.011","","","","has coordinates","283420","2023-05-05","03:06:50",""
"7062302","13.6474","0.0008","12.6815","0.0007","15.7895","0.0011","90","","102.355","0.002","90","","2669.4","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 F12 O6 -","- C64 H46 F12 O6 -","- C128 H92 F24 O12 -","2","0.5","","Zhang, Mei; Lu, Liping; Yang, Guoliang; Mo, Xiaofeng; Luo, Shunyin; Irfan, Majeed; Zeng, Zhuo","Straightforward intra/intermolecular cyclization to AIE-active cyclic TPE: selectively distinguishing benzaldehyde and a temperature sensor","New Journal of Chemistry","2023","47","12","5915","5921","10.1039/D3NJ00390F","","","0.71073","MoKα","","0.0414","0.0363","","","0.0871","0.091","","","","","","1.053","","","","has coordinates","283428","2023-05-05","03:08:16",""
"7062303","29.274","0.003","9.8162","0.0008","25.246","0.002","90","","122.082","0.002","90","","6146.8","1","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C70 H46 F24 O6 -","- C70 H46 F24 O6 -","- C280 H184 F96 O24 -","4","1","","Zhang, Mei; Lu, Liping; Yang, Guoliang; Mo, Xiaofeng; Luo, Shunyin; Irfan, Majeed; Zeng, Zhuo","Straightforward intra/intermolecular cyclization to AIE-active cyclic TPE: selectively distinguishing benzaldehyde and a temperature sensor","New Journal of Chemistry","2023","47","12","5915","5921","10.1039/D3NJ00390F","","","0.71073","MoKα","","0.0632","0.0469","","","0.1065","0.1182","","","","","","1.082","","","","has coordinates","283428","2023-05-05","03:08:17",""
"7062304","11.6228","0.0019","15.296","0.003","14.557","0.002","90","","109.254","0.005","90","","2443.2","0.7","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 O7 Zn -","- C17 H14 N4 O7 Zn -","- C68 H56 N16 O28 Zn4 -","4","1","","Shit, Manik; Karan, Arnab Kanti; Sahoo, Dipankar; Manik, Nabin Baran; Dutta, Basudeb; Sinha, Chittaranjan","Strategy for the improvement of electrical conductivity of a 3D Zn(ii)-coordination polymer doubly bridged by mesaconato and pyridyl-isonicotinoyl hydrazide based Schottky diode device","New Journal of Chemistry","2023","47","12","5922","5929","10.1039/D2NJ05455H","","","0.71073","MoKα","","0.1531","0.0942","","","0.2405","0.2946","","","","","","1.114","","","","has coordinates,has disorder","283424","2023-05-05","03:07:24",""
"7062305","7.52118","0.00014","19.1168","0.0004","19.7439","0.0004","62.2","0.002","80.9796","0.0015","87.5397","0.0016","2478.61","0.1","293","2","293.15","","","","","","","","5-aminoisophthalic acid and o-vanillin","4","P -1","-P 1","2","HLB","diethyl-5-(2-hydroxy-3-methoxy-5-phenyldiazenyl)benzylidene-aminoisophthalate","","- C52 H50 N6 O12 -","- C52 H50 N6 O12 -","- C104 H100 N12 O24 -","2","1","","Chand, Prem; Kumar, Ashish","Acquiring preferred mode of aggregation through positional antagonism for saponification triggered gelation","New Journal of Chemistry","2023","47","13","6135","6143","10.1039/D2NJ04858B","","x-ray","0.71073","MoKα","","0.0948","0.0619","","","0.192","0.2175","","","","","","1.0566","","","","has coordinates,has disorder","283401","2023-05-05","03:00:23",""
"7062306","15.0993","0.0002","17.6129","0.0004","20.3424","0.0005","100.281","0.002","90.399","0.002","102.671","0.002","5187.41","0.19","293","2","293","2","","","","","","","5 aminoisophthalic acid, o-vanillin and Zinc nitrate hexahydrate","5","P -1","-P 1","2","Complex B","[Zn(LB)2]","","- C52 H48 N6 O12 Zn -","- C52 H48 N6 O12 Zn -","- C208 H192 N24 O48 Zn4 -","4","2","","Chand, Prem; Kumar, Ashish","Acquiring preferred mode of aggregation through positional antagonism for saponification triggered gelation","New Journal of Chemistry","2023","47","13","6135","6143","10.1039/D2NJ04858B","","x-ray","0.71073","MoKα","","0.0995","0.0607","","","0.1639","0.1935","","","","","","1.015","","","","has coordinates,has disorder","283401","2023-05-05","03:00:24",""
"7062307","8.502","0.0004","14.2994","0.0007","27.4007","0.0014","79.434","0.002","83.469","0.002","78.638","0.002","3200.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H54 Mo3 N12 O17 S3 -","- C51.5 H47.238 Mo3 N12 O16.75 S3 -","- C103 H94.476 Mo6 N24 O33.5 S6 -","2","1","","Maurya, Mannar R.; Singh, Devesh; Avecilla, Fernando; Sharma, Akhilesh; Gupta, Puneet","Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity","New Journal of Chemistry","2023","47","13","6114","6134","10.1039/D2NJ05936C","","","0.71073","MoKα","","0.1693","0.1005","","","0.2785","0.3282","","","","","","1.042","","","","has coordinates,has disorder","283393","2023-05-05","02:57:31",""
"7062308","14.1056","","14.2433","","16.2004","","101.405","","92.74","","96.302","","3163.2","","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H62 Mo3 N12 O15 S -","- C55 H62 Mo3 N12 O15 S -","- C110 H124 Mo6 N24 O30 S2 -","2","1","","Maurya, Mannar R.; Singh, Devesh; Avecilla, Fernando; Sharma, Akhilesh; Gupta, Puneet","Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity","New Journal of Chemistry","2023","47","13","6114","6134","10.1039/D2NJ05936C","","","0.71073","MoKα","","0.1529","0.1075","","","0.2902","0.3236","","","","","","1.0506","","","","has coordinates,has disorder","283393","2023-05-05","02:57:34",""
"7062309","9.41","0.005","13.71","0.006","27.128","0.012","100.54","0.015","97.066","0.016","100.449","0.016","3339","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H55 Mo3 N13 O16 -","- C51 H56 Mo3 N13 O17 -","- C102 H112 Mo6 N26 O34 -","2","1","","Maurya, Mannar R.; Singh, Devesh; Avecilla, Fernando; Sharma, Akhilesh; Gupta, Puneet","Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity","New Journal of Chemistry","2023","47","13","6114","6134","10.1039/D2NJ05936C","","","0.71073","MoKα","","0.0649","0.0538","","","0.1418","0.1533","","","","","","1.0707","","","","has coordinates,has disorder","283393","2023-05-05","02:57:44",""
"7062310","18.723","0.008","14.233","0.006","28.309","0.011","90","","106.119","0.014","90","","7247","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H62 Mo3 N13 O16.5 -","- C66 H62 Mo3 N13 O16.5 -","- C264 H248 Mo12 N52 O66 -","4","1","","Maurya, Mannar R.; Singh, Devesh; Avecilla, Fernando; Sharma, Akhilesh; Gupta, Puneet","Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity","New Journal of Chemistry","2023","47","13","6114","6134","10.1039/D2NJ05936C","","","0.71073","MoKα","","0.0626","0.051","","","0.1474","0.1648","","","","","","1.0643","","","","has coordinates","283393","2023-05-05","02:57:44",""
"7062311","10.6033","0.0011","9.1856","0.0009","30.91","0.003","90","","90","","90","","3010.6","0.5","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl N3 O5 -","- C13 H14 Cl N3 O5 -","- C104 H112 Cl8 N24 O40 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0997","0.065","","","0.1792","0.2044","","","","","","1.046","","","","has coordinates,has disorder","283395","2023-05-05","02:58:19",""
"7062312","11.5055","0.0009","8.4091","0.0007","14.4045","0.0013","90","","92.059","0.003","90","","1392.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C52 H56 N16 O12 S4 -","4","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.061","0.0443","","","0.1023","0.1121","","","","","","1.031","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062313","10.886","0.003","8.2613","0.0018","20.14","0.005","90","","98.99","0.006","90","","1789","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl N3 O6 -","- C17 H18 Cl N3 O6 -","- C68 H72 Cl4 N12 O24 -","4","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0773","0.0629","","","0.1658","0.186","","","","","","1.053","","","","has coordinates,has disorder","283395","2023-05-05","02:58:24",""
"7062314","43.205","0.006","7.705","0.0011","4.5617","0.0006","90","","90","","90","","1518.6","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.1236","0.089","","","0.2066","0.2288","","","","","","1.133","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062315","15.1546","0.001","13.0529","0.0009","16.4184","0.0011","90","","90","","90","","3247.7","0.4","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C136 H128 N32 O32 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0895","0.0669","","","0.1166","0.1314","","","","","","1.258","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062316","8.241","0.002","17.685","0.005","25.201","0.007","90","","90","","90","","3672.8","1.7","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Cl N3 O4 S -","- C17 H16 Cl N3 O4 S -","- C136 H128 Cl8 N24 O32 S8 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0753","0.064","","","0.16","0.1666","","","","","","1.087","","","","has coordinates,has disorder","283395","2023-05-05","02:58:24",""
"7062317","18.62","0.003","5.4988","0.0008","30.636","0.004","90","","96.337","0.008","90","","3117.6","0.8","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 Cl N3 O4 S -","- C13 H14 Cl N3 O4 S -","- C104 H112 Cl8 N24 O32 S8 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.1098","0.081","","","0.1397","0.1649","","","","","","1.038","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062318","9.4256","0.0006","9.7491","0.0006","17.9657","0.0012","85.658","0.002","85.018","0.002","69.168","0.002","1535.35","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 S -","- C17 H15 N3 S -","- C68 H60 N12 S4 -","4","2","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0617","0.0486","","","0.0965","0.1055","","","","","","1.095","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062319","5.916","0.0004","22.1005","0.0016","9.9693","0.0005","90","","100.216","0.006","90","","1282.79","0.14","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 S -","- C13 H13 N3 S -","- C52 H52 N12 S4 -","4","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","x-ray","0.71073","MoKα","","0.0645","0.041","","","0.0834","0.0949","","","","","","1.0614","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062320","11.1324","0.0003","11.1382","0.0003","16.7579","0.0005","90","","90","","90","","2077.89","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl2 Co N3 -","- C20 H25 Cl2 Co N3 -","- C80 H100 Cl8 Co4 N12 -","4","1","","Dong, Shuting; Zong, Zhijian; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun","Hydrosilylative reduction of secondary amides to amines catalyzed by geometry-constrained NNN-cobalt complexes","New Journal of Chemistry","2023","47","12","5603","5610","10.1039/D3NJ00372H","","","1.34139","GaKα","","0.0362","0.0289","","","0.066","0.0688","","","","","","0.913","","","","has coordinates","283422","2023-05-05","03:07:03",""
"7062321","9.5593","0.0003","35.4325","0.0009","14.4482","0.0004","90","","106.61","0.003","90","","4689.5","0.2","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 Cl6 Fe N3 -","- C52 H46 Cl6 Fe N3 -","- C208 H184 Cl24 Fe4 N12 -","4","1","","Liu, Tian; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Unimodal polyethylenes of high linearity and narrow dispersity by using ortho-4,4′-dichlorobenzhydryl-modified bis(imino)pyridyl-iron catalysts","New Journal of Chemistry","2023","47","12","5786","5795","10.1039/D2NJ06212G","","x-ray","1.54184","CuKα","","0.0951","0.0742","","","0.1959","0.211","","","","","","1.047","","","","has coordinates","283425","2023-05-05","03:07:33",""
"7062322","9.6074","0.0002","35.677","0.001","15.0592","0.0006","90","","97.548","0.003","90","","5117","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl8 Fe N4 -","- C53 Cl6 Fe N3 -","- C212 Cl24 Fe4 N12 -","4","1","","Liu, Tian; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Unimodal polyethylenes of high linearity and narrow dispersity by using ortho-4,4′-dichlorobenzhydryl-modified bis(imino)pyridyl-iron catalysts","New Journal of Chemistry","2023","47","12","5786","5795","10.1039/D2NJ06212G","","x-ray","1.54184","CuKα","","0.1059","0.0859","","","0.2402","0.2648","","","","","","1.062","","","","has coordinates","283425","2023-05-05","03:07:44",""
"7062323","10.8579","0.0005","6.7355","0.0003","34.0959","0.0015","90","","98.833","0.003","90","","2463.98","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Fe O P -","- C31 H39 Fe O P -","- C124 H156 Fe4 O4 P4 -","4","1","","Vosáhlo, Petr; Štěpnička, Petr","Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions","New Journal of Chemistry","2023","47","9","4510","4520","10.1039/D3NJ00201B","","","1.54178","CuKα","","0.0719","0.0674","","","0.1656","0.1726","","","","","","1.099","","","","has coordinates","281170","2023-02-28","10:22:28",""
"7062324","14.2338","0.0003","10.1725","0.0002","15.2719","0.0003","90","","95.577","0.001","90","","2200.8","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Fe O P Se -","- C23 H31 Fe O P Se -","- C92 H124 Fe4 O4 P4 Se4 -","4","1","","Vosáhlo, Petr; Štěpnička, Petr","Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions","New Journal of Chemistry","2023","47","9","4510","4520","10.1039/D3NJ00201B","","","0.71073","MoKα","","0.0179","0.0169","","","0.0434","0.0439","","","","","","1.054","","","","has coordinates","281170","2023-02-28","10:22:28",""
"7062325","13.6384","0.0003","11.0185","0.0003","17.3274","0.0004","90","","98.677","0.001","90","","2574.07","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Fe O P Se -","- C31 H39 Fe O P Se -","- C124 H156 Fe4 O4 P4 Se4 -","4","1","","Vosáhlo, Petr; Štěpnička, Petr","Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions","New Journal of Chemistry","2023","47","9","4510","4520","10.1039/D3NJ00201B","","","0.71073","MoKα","","0.0274","0.0262","","","0.0594","0.0598","","","","","","1.156","","","","has coordinates,has disorder","281170","2023-02-28","10:22:29",""
"7062326","7.5245","0.0004","8.1925","0.0004","18.4052","0.001","78.114","0.002","82.669","0.002","63.498","0.002","992.76","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Fe O4 P Se -","- C21 H25 Fe O4 P Se -","- C42 H50 Fe2 O8 P2 Se2 -","2","1","","Vosáhlo, Petr; Štěpnička, Petr","Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions","New Journal of Chemistry","2023","47","9","4510","4520","10.1039/D3NJ00201B","","","0.71073","MoKα","","0.018","0.0175","","","0.0464","0.0467","","","","","","1.038","","","","has coordinates","281170","2023-02-28","10:22:29",""
"7062327","11.2049","0.0009","12.2057","0.001","13.8158","0.001","82.383","0.002","78.024","0.002","76.254","0.002","1788.5","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H57 Au Cl Fe O P -","- C40 H57 Au Cl Fe O P -","- C80 H114 Au2 Cl2 Fe2 O2 P2 -","2","1","","Vosáhlo, Petr; Štěpnička, Petr","Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions","New Journal of Chemistry","2023","47","9","4510","4520","10.1039/D3NJ00201B","","","0.71073","MoKα","","0.0306","0.0296","","","0.0929","0.0937","","","","","","1.121","","","","has coordinates","281170","2023-02-28","10:22:29",""
"7062328","5.4975","0.0004","5.8918","0.0004","32.289","0.003","90","","90","","90","","1045.85","0.14","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan","Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing","New Journal of Chemistry","2023","47","9","4374","4385","10.1039/D2NJ05408F","","","1.34139","GaKα","","0.0423","0.0386","","","0.1023","0.1048","","","","","","1.067","","","","has coordinates","281171","2023-02-28","10:24:57",""
"7062329","11.148","0.002","14.447","0.003","16.185","0.004","95.899","0.007","106.846","0.008","95.37","0.007","2460.7","0.9","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H43 B Cu F4 N7 O P2 -","- C54 H43 B Cu F4 N7 O P2 -","- C108 H86 B2 Cu2 F8 N14 O2 P4 -","2","1","","Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan","Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing","New Journal of Chemistry","2023","47","9","4374","4385","10.1039/D2NJ05408F","","","1.34139","GaKα","","0.0656","0.0546","","","0.1525","0.1599","","","","","","1.155","","","","has coordinates,has disorder","281171","2023-02-28","10:25:07",""
"7062330","11.5294","0.001","12.5413","0.0012","22.969","0.002","87.336","0.004","77.073","0.004","69.958","0.004","3039.3","0.5","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H43 B Cu F4 N7 O P2 -","- C54 H43 B Cu F4 N7 O P2 -","- C108 H86 B2 Cu2 F8 N14 O2 P4 -","2","1","","Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan","Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing","New Journal of Chemistry","2023","47","9","4374","4385","10.1039/D2NJ05408F","","","1.34139","GaKα","","0.0822","0.0624","","","0.189","0.2031","","","","","","1.061","","","","has coordinates,has disorder","281171","2023-02-28","10:25:11",""
"7062331","14.1686","0.0003","17.2839","0.0005","22.4313","0.0006","67.431","0.003","76.762","0.002","86.734","0.002","4934.8","0.3","293","","293","","","","","","","","","9","P -1","-P 1","2","","","","- C100 H80 B2 Cl4 Cu2 F8 N8 O2 P4 -","- C100 H80 B2 Cl4 Cu2 F8 N8 O2 P4 -","- C200 H160 B4 Cl8 Cu4 F16 N16 O4 P8 -","2","1","","Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan","Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing","New Journal of Chemistry","2023","47","9","4374","4385","10.1039/D2NJ05408F","","x-ray","1.54184","CuKα","","0.0881","0.0672","","","0.1844","0.2037","","","","","","1.041","","","","has coordinates,has disorder","281171","2023-02-28","10:25:20",""
"7062332","18.1862","0.0006","20.5002","0.0007","25.9562","0.0008","90","","105.959","0.001","90","","9304","0.5","296.15","","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H42 B Cu F4 N6 O0.5 P2 -","- C44.5 H42 B Cu F4 N6 O0.5 P2 -","- C356 H336 B8 Cu8 F32 N48 O4 P16 -","8","2","","Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan","Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing","New Journal of Chemistry","2023","47","9","4374","4385","10.1039/D2NJ05408F","","","0.71073","MoKα","","0.1583","0.0947","","","0.2728","0.3482","","","","","","1.028","","","","has coordinates","281171","2023-02-28","10:25:23",""
"7062333","10.674","0.0013","4.12","0.0006","13.409","0.002","90","","90","","90","","589.69","0.14","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce Cu S3 -","- Ba Ce Cu S3 -","- Ba4 Ce4 Cu4 S12 -","4","0.5","","Shahid, Omair; Yadav, Sweta; Maity, Debanjan; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai","Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3","New Journal of Chemistry","2023","47","11","5378","5389","10.1039/D2NJ06301H","","","0.71073","MoKα","","0.0249","0.0211","","","0.0476","0.0491","","","","","","1.068","","","","has coordinates","283418","2023-05-05","03:06:25",""
"7062334","8.1277","0.0006","17.296","0.0013","18.0136","0.0013","90","","90.315","0.002","90","","2532.3","0.3","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 B2 N2 O8 -","- C54 H66 B2 N2 O8 -","- C108 H132 B4 N4 O16 -","2","0.5","","López-Espejel, Margarita; Ibarra-Rodríguez, Marisol; Muñoz-Flores, Blanca M.; Bahena-Villarreal, Marcos R.; Cavazos-Jaramillo, Azael A.; Garza-Villegas, Mónica D.; Rodríguez-Padilla, Cristina; Luna-Cruz, Itza E.; Dias, H. V. Rasika; Alcocer-González, Juan M.; Jiménez-Pérez, Víctor M.","Rotors of BOSCHIBAs as endoplasmic reticulum fluorescent probes in HeLa and human umbilical vein endothelial cells","New Journal of Chemistry","2023","47","17","7975","7985","10.1039/D2NJ04932E","","","0.71073","MoKα","","0.059","0.0485","","","0.1181","0.1248","","","","","","1.032","","","","has coordinates,has disorder","283378","2023-05-05","02:52:30",""
"7062335","6.893","0.0001","12.3968","0.0002","15.741","0.0002","99.503","0.001","93.061","0.001","100.462","0.001","1299.74","0.03","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O5 -","- C20 H20 N4 O5 -","- C40 H40 N8 O10 -","2","1","","Meher, Sagarika; Sharma, Nagendra K.","Azulene tethered N-aryl nucleobases: synthesis, morphology and biochemical evaluations","New Journal of Chemistry","2023","47","12","5593","5597","10.1039/D2NJ06272K","","x-ray","1.54184","CuKα","","0.1022","0.0694","","","0.208","0.2215","","","","","","1.0463","","","","has coordinates","283429","2023-05-05","03:08:24",""
"7062336","8.767","0.0001","10.6359","0.0002","14.115","0.0002","108.665","0.001","99.074","0.001","101.146","0.001","1188.79","0.03","256","40","256","40","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N3 O7 S -","- C23 H27 N3 O7 S -","- C46 H54 N6 O14 S2 -","2","1","","Meher, Sagarika; Sharma, Nagendra K.","Azulene tethered N-aryl nucleobases: synthesis, morphology and biochemical evaluations","New Journal of Chemistry","2023","47","12","5593","5597","10.1039/D2NJ06272K","","x-ray","1.54184","CuKα","","0.0463","0.0442","","","0.1372","0.1404","","","","","","1.0268","","","","has coordinates","283429","2023-05-05","03:08:24",""
"7062337","6.845","0.0007","7.2316","0.0007","10.2686","0.001","71.886","0.004","71.147","0.004","82.079","0.004","456.79","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 N5 Na2 O4 -","- C4 H7 N5 Na2 O4 -","- C8 H14 N10 Na4 O8 -","2","1","","Xu, Ze; Jiang, Shuaijie; Hou, Tianyang; Zhang, Xiaopeng; Lu, Ming; Xu, Yuangang","Why does the cyclic pentazolate anion fail to undergo N-oxidization in oxone solution?","New Journal of Chemistry","2023","47","12","5616","5620","10.1039/D3NJ00215B","","","0.71073","MoKα","","0.0481","0.0415","","","0.0995","0.1036","","","","","","1.09","","","","has coordinates","283427","2023-05-05","03:08:06",""
"7062338","10.86786","0.00012","34.4858","0.0006","16.031","0.0003","90","","93.1459","0.0012","90","","5999.15","0.17","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 Co F6 Fe2 N2 P3 S4 -","- C64 H58 Co F6 Fe2 N2 P3 S4 -","- C256 H232 Co4 F24 Fe8 N8 P12 S16 -","4","1","","Srivastava, Devyani; Singh, Amita; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","New heteroleptic 1,2-bis(diphenylphosphino)ethane appended cobalt(iii) ferrocene dithiocarbamates as sensitizers in dye-sensitized solar cells (DSSCs)","New Journal of Chemistry","2023","47","13","6420","6432","10.1039/D2NJ04736E","","x-ray","1.54184","CuKα","","0.0602","0.051","","","0.1276","0.134","","","","","","1.026","","","","has coordinates,has disorder","283392","2023-05-05","02:55:23",""
"7062339","16.8702","0.0005","42.406","0.002","33.8869","0.0013","90","","90","","90","","24242.6","1.6","150","2","149.9","0.6","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C54 H56 Co F6 Fe2 N2 O2 P3 S4 -","- C54 H56 Co F6 Fe2 N2 O2 P3 S4 -","- C864 H896 Co16 F96 Fe32 N32 O32 P48 S64 -","16","0.5","","Srivastava, Devyani; Singh, Amita; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","New heteroleptic 1,2-bis(diphenylphosphino)ethane appended cobalt(iii) ferrocene dithiocarbamates as sensitizers in dye-sensitized solar cells (DSSCs)","New Journal of Chemistry","2023","47","13","6420","6432","10.1039/D2NJ04736E","","x-ray","0.71073","MoKα","","0.1071","0.0883","","","0.2182","0.2305","","","","","","1.069","","","","has coordinates,has disorder","283392","2023-05-05","02:55:23",""
"7062340","14.9695","0.0003","16.1526","0.0003","17.9588","0.0003","78.315","0.002","73.465","0.002","68.266","0.002","3843.8","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H94 Fe2 N4 O7 P2 -","- C86 H94 Fe2 N4 O7 P2 -","- C172 H188 Fe4 N8 O14 P4 -","2","1","","Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.","The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls","New Journal of Chemistry","2023","47","12","5953","5960","10.1039/D3NJ00450C","","","0.71073","MoKα","","0.0805","0.0484","","","0.1052","0.117","","","","","","1.021","","","","has coordinates,has disorder","283426","2023-05-05","03:08:00",""
"7062341","11.8356","0.0003","12.3643","0.0004","13.0056","0.0004","104.947","0.001","96.647","0.001","108.791","0.001","1699.19","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H84 N4 Ni2 O8 P2 -","- C80 H84 N4 Ni2 O8 P2 -","- C80 H84 N4 Ni2 O8 P2 -","1","0.5","","Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.","The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls","New Journal of Chemistry","2023","47","12","5953","5960","10.1039/D3NJ00450C","","","0.71073","MoKα","","0.0568","0.0396","","","0.0904","0.097","","","","","","1.039","","","","has coordinates,has disorder","283426","2023-05-05","03:08:00",""
"7062342","12.948","0.0002","23.6942","0.0003","10.6992","0.0001","90","","93.598","0.001","90","","3275.96","0.07","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H48 Br Co Mg O10 -","- C28 H48 Br Co Mg O10 -","- C112 H192 Br4 Co4 Mg4 O40 -","4","1","","Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.","The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls","New Journal of Chemistry","2023","47","12","5953","5960","10.1039/D3NJ00450C","","","0.71073","MoKα","","0.0394","0.0378","","","0.096","0.0974","","","","","","1.028","","","","has coordinates","283426","2023-05-05","03:08:00",""
"7062343","14.1235","0.0002","12.3282","0.0002","21.068","0.0003","90","","91.369","0.001","90","","3667.26","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Co N2 O3 P -","- C41 H42 Co N2 O3 P -","- C164 H168 Co4 N8 O12 P4 -","4","1","","Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.","The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls","New Journal of Chemistry","2023","47","12","5953","5960","10.1039/D3NJ00450C","","","0.71073","MoKα","","0.05","0.0347","","","0.0801","0.0855","","","","","","1.02","","","","has coordinates","283426","2023-05-05","03:08:00",""
"7062344","11.243","0.016","13.466","0.017","15.947","0.019","90.274","0.009","107.892","0.014","111.689","0.009","2116","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H86 F12 Fe2 N6 O4 P6 Ru -","- C88 H86 F12 Fe2 N6 O4 P6 Ru -","- C88 H86 F12 Fe2 N6 O4 P6 Ru -","1","0.5","","Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong","Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]","New Journal of Chemistry","2023","47","14","6796","6803","10.1039/D3NJ00049D","","","0.71073","MoKα","","0.1019","0.0742","","","0.1921","0.2199","","","","","","1.049","","","","has coordinates","283402","2023-05-05","03:00:46",""
"7062345","10.373","0.003","15.745","0.004","17.176","0.005","96.368","0.002","105.641","0.004","100.922","0.002","2613.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N6 O4 Ru -","- C26 H28 N6 O4 Ru -","- C104 H112 N24 O16 Ru4 -","4","2","","Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong","Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]","New Journal of Chemistry","2023","47","14","6796","6803","10.1039/D3NJ00049D","","","0.71073","MoKα","","0.0517","0.0381","","","0.0789","0.0915","","","","","","1.073","","","","has coordinates","283402","2023-05-05","03:00:55",""
"7062346","13.129","0.005","12.844","0.004","18.599","0.006","90","","96.68","0.005","90","","3115","1.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Br F6 Fe N0 O0 P3 -","- C31 H29 Br F6 Fe P3 -","- C124 H116 Br4 F24 Fe4 P12 -","4","1","","Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong","Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]","New Journal of Chemistry","2023","47","14","6796","6803","10.1039/D3NJ00049D","","","0.71073","MoKα","","0.0616","0.0481","","","0.1209","0.1299","","","","","","1.046","","","","has coordinates","283402","2023-05-05","03:00:58",""
"7062347","34.313","0.009","14.54","0.004","38.85","0.011","90","","110.278","0.005","90","","18181","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C172 H166 F42 Fe4 N15 P15 Ru2 -","- C172 H166 F42 Fe4 N15 P15 Ru2 -","- C688 H664 F168 Fe16 N60 P60 Ru8 -","4","0.5","","Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong","Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]","New Journal of Chemistry","2023","47","14","6796","6803","10.1039/D3NJ00049D","","","0.71073","MoKα","","0.1181","0.0998","","","0.2731","0.2945","","","","","","1.088","","","","has coordinates,has disorder","283402","2023-05-05","03:01:01",""
"7062348","30.879","0.004","30.879","0.004","20.44","0.004","90","","90","","90","","19490","5","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C84 H92 F12 Fe2 N6 O7 P6 Ru -","- C84 H78 F12 Fe2 N6 P6 Ru -","- C672 H624 F96 Fe16 N48 P48 Ru8 -","8","1","","Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong","Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]","New Journal of Chemistry","2023","47","14","6796","6803","10.1039/D3NJ00049D","","","0.71073","MoKα","","0.1365","0.0758","","","0.1921","0.2522","","","","","","1.035","","","","has coordinates,has disorder","283402","2023-05-05","03:01:04",""
"7062349","9.1612","0.0006","10.9721","0.0008","11.5145","0.0004","95.171","0.005","105.936","0.005","103.407","0.006","1067.87","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Co-26N4","","- C36 H48 Cl2 Co N8 O14 -","- C36 H48 Cl2 Co N8 O14 -","- C36 H48 Cl2 Co N8 O14 -","1","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Bavandsavadkouhi, Alborz; Selopal, Gurpreet Singh; Duong, Adam","Isostructural coordination polymers of the tethering naphthalene anchored bis(2-methylpyridinecarboxamide) ligand: single crystal, XPS, EDS and theoretical studies","New Journal of Chemistry","2023","47","11","5477","5487","10.1039/D3NJ00038A","","x-ray","1.54184","CuKα","","0.0461","0.0434","","","0.1155","0.1185","","","","","","1.026","","","","has coordinates","283417","2023-05-05","03:06:12",""
"7062350","9.2489","0.0008","10.8769","0.0008","11.2251","0.001","95.5","0.007","107.674","0.008","100.676","0.007","1043.27","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","Cu-26N4","","- C36 H48 Cl2 Cu N8 O14 -","- C36 H48 Cl2 Cu N8 O14 -","- C36 H48 Cl2 Cu N8 O14 -","1","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Bavandsavadkouhi, Alborz; Selopal, Gurpreet Singh; Duong, Adam","Isostructural coordination polymers of the tethering naphthalene anchored bis(2-methylpyridinecarboxamide) ligand: single crystal, XPS, EDS and theoretical studies","New Journal of Chemistry","2023","47","11","5477","5487","10.1039/D3NJ00038A","","x-ray","1.54184","CuKα","","0.0654","0.0545","","","0.1457","0.1558","","","","","","1.032","","","","has coordinates,has disorder","283417","2023-05-05","03:06:12",""
"7062351","9.7788","0.0009","10.0719","0.001","11.6525","0.0015","103.639","0.01","98.532","0.009","113.079","0.009","988.1","0.2","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","L2","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C48 H40 N8 O4 -","2","1","","Rana, Love Karan; Kaur, Prabhjyot; Bavandsavadkouhi, Alborz; Selopal, Gurpreet Singh; Duong, Adam","Isostructural coordination polymers of the tethering naphthalene anchored bis(2-methylpyridinecarboxamide) ligand: single crystal, XPS, EDS and theoretical studies","New Journal of Chemistry","2023","47","11","5477","5487","10.1039/D3NJ00038A","","x-ray","0.71073","MoKα","","0.1365","0.0911","","","0.3047","0.3399","","","","","","1.064","","","","has coordinates","283417","2023-05-05","03:06:12",""
"7062352","9.1957","0.0004","10.9757","0.0006","11.4963","0.0004","95.177","0.004","106.101","0.004","103.357","0.004","1069.76","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","Zn-26N3","","- C36 H48 Cl2 N8 O14 Zn -","- C36 H48 Cl2 N8 O14 Zn -","- C36 H48 Cl2 N8 O14 Zn -","1","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Bavandsavadkouhi, Alborz; Selopal, Gurpreet Singh; Duong, Adam","Isostructural coordination polymers of the tethering naphthalene anchored bis(2-methylpyridinecarboxamide) ligand: single crystal, XPS, EDS and theoretical studies","New Journal of Chemistry","2023","47","11","5477","5487","10.1039/D3NJ00038A","","x-ray","1.54184","CuKα","","0.0456","0.0388","","","0.1019","0.1064","","","","","","1.022","","","","has coordinates","283417","2023-05-05","03:06:12",""
"7062353","15.0005","0.0005","5.266","0.0002","18.7118","0.0007","90","","113.311","0.001","90","","1357.44","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Shekhovtsov, Nikita A.; Nikolaenkova, Elena B.; Ryadun, Alexey A.; Vorobyeva, Sofia N.; Krivopalov, Viktor P.; Bushuev, Mark B.","Dual emission of ESIPT-capable 2-(2-hydroxyphenyl)-4-(1H-pyrazol-1-yl)pyrimidines: interplay of fluorescence and phosphorescence","New Journal of Chemistry","2023","47","13","6361","6377","10.1039/D3NJ00570D","","","0.71073","MoKα","","0.099","0.0586","","","0.141","0.1648","","","","","","1.042","","","","has coordinates","283400","2023-05-05","02:59:40",""
"7062354","10.0306","0.0009","10.1285","0.0009","12.2622","0.001","94.126","0.003","113.697","0.003","109.74","0.003","1042.06","0.16","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C52 H40 N8 O2 -","2","1","","Shekhovtsov, Nikita A.; Nikolaenkova, Elena B.; Ryadun, Alexey A.; Vorobyeva, Sofia N.; Krivopalov, Viktor P.; Bushuev, Mark B.","Dual emission of ESIPT-capable 2-(2-hydroxyphenyl)-4-(1H-pyrazol-1-yl)pyrimidines: interplay of fluorescence and phosphorescence","New Journal of Chemistry","2023","47","13","6361","6377","10.1039/D3NJ00570D","","","0.71073","MoKα","","0.0689","0.0451","","","0.1172","0.1327","","","","","","1.029","","","","has coordinates","283400","2023-05-05","02:59:52",""
"7062355","45.2994","0.0006","6.0855","0.0001","12.8728","0.0002","90","","92.735","0.001","90","","3544.6","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Br N2 -","- C23 H15 Br N2 -","- C184 H120 Br8 N16 -","8","1","","Younes, Eyad A.; Aljaar, Nayyef; Abdollahi, Maryam F.; Shtaiwi, Majed; Issa, Maram J.; Zhao, Yuming","N-Cyanomethylmethanimine tethered anthracene dimer: concise synthesis, conformational properties and photoinduced configurational isomerization","New Journal of Chemistry","2023","47","14","6708","6720","10.1039/D2NJ06320D","","x-ray","1.54184","CuKα","","0.0541","0.0489","","","0.1301","0.1341","","","","","","1.057","","","","has coordinates","283405","2023-05-05","03:02:25",""
"7062356","5.181","0.0001","9.6048","0.0002","11.9887","0.0003","67.824","0.002","85.664","0.002","78.436","0.002","541.24","0.02","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C31 H20 N2 -","1","1","","Younes, Eyad A.; Aljaar, Nayyef; Abdollahi, Maryam F.; Shtaiwi, Majed; Issa, Maram J.; Zhao, Yuming","N-Cyanomethylmethanimine tethered anthracene dimer: concise synthesis, conformational properties and photoinduced configurational isomerization","New Journal of Chemistry","2023","47","14","6708","6720","10.1039/D2NJ06320D","","x-ray","1.54184","CuKα","","0.0437","0.0344","","","0.0952","0.1086","","","","","","1.145","","","","has coordinates","283405","2023-05-05","03:02:28",""
"7062357","9.6083","0.0004","14.0301","0.0006","17.6821","0.0009","90","","90","","90","","2383.64","0.19","303.9","0.8","303.9","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Fe2 N2 -","- C29 H26 Fe2 N2 -","- C116 H104 Fe8 N8 -","4","1","","Nedunchezhian, Kavitha; Nallathambi, Sengottuvelan","Mono- and di-ferrocene conjugated 5-methyl benzimidazole based multi-channel receptors for cations/anions with their antimicrobial and anticancer studies","New Journal of Chemistry","2023","47","10","4656","4666","10.1039/D2NJ05960F","","x-ray","0.71073","MoKα","","0.1206","0.0591","","","0.0971","0.1204","","","","","","1.013","","","","has coordinates","281682","2023-03-07","01:28:32",""
"7062358","8.26","0.0016","10.112","0.002","24.294","0.005","90","","93.94","0.03","90","","2024.4","0.7","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 B F2 N2 O -","- C23 H23 B F2 N2 O -","- C92 H92 B4 F8 N8 O4 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Mohitkar, Anuradha; Jayanty, Subbalakshmi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Triphenylamine–boron complexes: molecular thermometry and alkyl chain controlled molecular fluorescent liquids","New Journal of Chemistry","2023","47","15","7288","7298","10.1039/D2NJ04474A","","","0.61","synchrotron","","0.1042","0.0844","","","0.2509","0.2666","","","","","","1.086","","","","has coordinates,has disorder","283413","2023-05-05","03:05:33",""
"7062359","8.06245","0.00077","13.9387","0.0012","8.01697","0.00067","90","","97.5456","0.0055","90","","893.15","0.14","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl K O7 -","- C12 H24 Cl K O7 -","- C24 H48 Cl2 K2 O14 -","2","0.5","","Vugrin, Leonarda; Halasz, Ivan; Geneste, Hervé","Characterization and isolation of an 18-crown-6 complex of potassium hydroxide prepared by milling: application to mechanochemical organic synthesis","New Journal of Chemistry","2023","47","16","7466","7469","10.1039/D3NJ00364G","powder diffraction","","1.54056","CuKα","","","","","","","","0.0396","","1.34","","","","","","","has coordinates","283387","2023-05-05","02:54:27",""
"7062360","11.5199","0.0013","20.926","0.002","13.1275","0.0013","90","","110.345","0.003","90","","2967.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N8 O4 Pd -","- C24 H18 Cl2 N8 O4 Pd -","- C96 H72 Cl8 N32 O16 Pd4 -","4","1","","Gahlaut, Puneet Singh; Gautam, Deepak; Lama, Prem; Jana, Barun","Unusual coordination of a 1,2,3-triazolyl-pyridine ligand in a Pd(ii) complex: application in the Suzuki–Miyaura coupling reaction","New Journal of Chemistry","2023","47","14","6871","6879","10.1039/D3NJ00206C","","","0.71073","MoKα","","0.0366","0.0317","","","0.0789","0.0822","","","","","","1.044","","","","has coordinates,has disorder","283407","2023-05-05","03:02:49",""
"7062361","25.0891","0.0006","9.7366","0.0002","9.1903","0.0002","90","","90","","90","","2245.03","0.09","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H6 Br2 O3 S2 -","- C8 H6 Br2 O3 S2 -","- C64 H48 Br16 O24 S16 -","8","1","","Youssef, Khaled; Allain, Magali; Cauchy, Thomas; Gohier, Frédéric","Dimerization reactions with oxidized brominated thiophenes","New Journal of Chemistry","2023","47","15","7375","7380","10.1039/D3NJ00029J","","","1.54184","CuKα","","0.034","0.0307","","","0.0782","0.0807","","","","","","1.04","","","","has coordinates","283412","2023-05-05","03:05:26",""
"7062362","11.4291","0.0006","19.1658","0.0007","11.4923","0.0007","90","","97.648","0.005","90","","2495","0.2","200","0.7","200","0.7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Br4 O2 S2 -","- C8 H4 Br4 O2 S2 -","- C64 H32 Br32 O16 S16 -","8","2","","Youssef, Khaled; Allain, Magali; Cauchy, Thomas; Gohier, Frédéric","Dimerization reactions with oxidized brominated thiophenes","New Journal of Chemistry","2023","47","15","7375","7380","10.1039/D3NJ00029J","","","1.54184","CuKα","","0.1024","0.0692","","","0.1875","0.2105","","","","","","1.07","","","","has coordinates","283412","2023-05-05","03:05:26",""
"7062363","7.8922","0.0006","10.1295","0.0007","14.046","0.001","90","","99.564","0.007","90","","1107.29","0.14","294.1","0.1","294.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Br2 O3 S2 -","- C8 H6 Br2 O3 S2 -","- C32 H24 Br8 O12 S8 -","4","1","","Youssef, Khaled; Allain, Magali; Cauchy, Thomas; Gohier, Frédéric","Dimerization reactions with oxidized brominated thiophenes","New Journal of Chemistry","2023","47","15","7375","7380","10.1039/D3NJ00029J","","","1.54184","CuKα","","0.0489","0.0452","","","0.121","0.1261","","","","","","1.058","","","","has coordinates","283412","2023-05-05","03:05:26",""
"7062364","15.3528","0.0006","15.3108","0.0006","8.9017","0.0003","90","","95.347","0.001","90","","2083.36","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Co3 N30 O18 -","- C26 H30 Co3 N30 O18 -","- C52 H60 Co6 N60 O36 -","2","0.5","","Parveen, Sheikdawood; Premkumar, Thathan; Nguyen, Hung-Huy; Govindarajan, Subbiah","A trinuclear cobalt coordination complex constructed using novel triazine ligands via one-pot green synthesis: structural properties and biological evaluation","New Journal of Chemistry","2023","47","15","7041","7050","10.1039/D3NJ00026E","","","0.71073","MoKα","","0.0342","0.0292","","","0.0724","0.0744","","","","","","1.063","","","","has coordinates,has disorder","283410","2023-05-05","03:04:45",""
"7062365","13.859","0.0002","29.1427","0.0005","25.1916","0.0004","90","","95.901","0.001","90","","10120.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H102 F12 Fe2 N6 P6 Ru -","- C96 H102 F12 Fe2 N6 P6 Ru -","- C384 H408 F48 Fe8 N24 P24 Ru4 -","4","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","micro-focusmetaljet","","0.0774","0.0683","","","0.1907","0.1979","","","","","","1.035","","","","has coordinates","283411","2023-05-05","03:05:16",""
"7062366","15.2693","0.0002","16.9532","0.0002","19.1955","0.0003","90","","106.015","0.002","90","","4776.16","0.12","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C99 H107 Cl2 F12 Fe2 N6 P6 Ru -","- C99 H107 Cl2 F12 Fe2 N6 P6 Ru -","- C198 H214 Cl4 F24 Fe4 N12 P12 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0608","0.0539","","","0.1368","0.1436","","","","","","1.029","","","","has coordinates","283411","2023-05-05","03:05:16",""
"7062367","15.273","0.0001","17.4784","0.0001","19.053","0.0001","90","","105.506","0.001","90","","4901.03","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C102 H114 F12 Fe2 N6 P6 Ru -","- C102 H114 F12 Fe2 N6 P6 Ru -","- C204 H228 F24 Fe4 N12 P12 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0521","0.0484","","","0.1242","0.1268","","","","","","1.028","","","","has coordinates,has disorder","283411","2023-05-05","03:05:16",""
"7062368","15.7835","0.0001","16.419","0.0001","24.0034","0.0002","74.06","0.001","77.906","0.001","76.95","0.001","5754.11","0.08","99.97","0.1","99.97","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C105 H122 Cl6 F24 Fe2 N6 O P8 Ru -","- C105 H122 Cl6 F24 Fe2 N6 O P8 Ru -","- C210 H244 Cl12 F48 Fe4 N12 O2 P16 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0476","0.0429","","","0.1091","0.1118","","","","","","1.028","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062369","16.2245","0.0003","17.8873","0.0003","19.2837","0.0004","90","","109.935","0.002","90","","5261.04","0.18","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C104 H118 F12 Fe2 N6 P6 Ru -","- C104 H118 F12 Fe2 N6 P6 Ru -","- C208 H236 F24 Fe4 N12 P12 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0588","0.0563","","","0.1451","0.1467","","","","","","1.103","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062370","12.4822","0.0001","14.6612","0.0003","17.9543","0.0003","106.982","0.002","101.599","0.001","101.399","0.001","2960.78","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C106 H122 F24 Fe2 N6 P8 Ru -","- C106 H122 F24 Fe2 N6 P8 Ru -","- C106 H122 F24 Fe2 N6 P8 Ru -","1","0.5","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0468","0.0409","","","0.1067","0.1099","","","","","","1.052","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062371","13.0433","0.0001","15.3889","0.0002","32.7979","0.0004","94.423","0.001","91.369","0.001","113.667","0.001","6000.76","0.13","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C104 H116 F24 Fe2 N6 P8 Ru -","- C104 H116 F24 Fe2 N6 P8 Ru -","- C208 H232 F48 Fe4 N12 P16 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0631","0.0534","","","0.1426","0.1482","","","","","","1.063","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062372","14.7436","0.0002","28.0448","0.0004","27.1179","0.0004","90","","101.088","0.001","90","","11003.4","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H114 F24 Fe2 N6 P8 Ru -","- C102 H114 F24 Fe2 N6 P8 Ru -","- C408 H456 F96 Fe8 N24 P32 Ru4 -","4","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.1033","0.0819","","","0.2076","0.2213","","","","","","1.026","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062373","14.1182","0.0002","14.2919","0.0002","29.4846","0.0003","80.022","0.001","80.408","0.001","76.565","0.001","5649.14","0.13","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H101 F24 Fe2 N6 P8 Ru -","- C96 H101 F24 Fe2 N6 P8 Ru -","- C192 H202 F48 Fe4 N12 P16 Ru2 -","2","1","","Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu","MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability","New Journal of Chemistry","2023","47","15","7134","7142","10.1039/D2NJ06104J","","x-ray","1.3405","GaKα","","0.0668","0.0569","","","0.1631","0.17","","","","","","1.062","","","","has coordinates","283411","2023-05-05","03:05:17",""
"7062374","9.3312","0.0017","9.3618","0.0019","9.405","0.0015","60.556","0.006","76.213","0.006","68.001","0.007","661.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cu2 N8 O8 -","- C24 H24 Cu2 N8 O8 -","- C24 H24 Cu2 N8 O8 -","1","0.5","","Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol","New Journal of Chemistry","2023","47","17","7965","7974","10.1039/D3NJ00512G","","","0.71073","MoKα","","0.0325","0.0274","","","0.0675","0.0698","","","","","","1.044","","","","has coordinates","283383","2023-05-05","02:53:29",""
"7062375","8.6551","0.0013","10.2932","0.0018","12.572","0.002","71.796","0.006","79.5","0.006","82.626","0.006","1043.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Cu N6 O5 -","- C21 H20 Cu N6 O5 -","- C42 H40 Cu2 N12 O10 -","2","1","","Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol","New Journal of Chemistry","2023","47","17","7965","7974","10.1039/D3NJ00512G","","","0.71073","MoKα","","0.0555","0.0395","","","0.081","0.0871","","","","","","1.02","","","","has coordinates","283383","2023-05-05","02:53:39",""
"7062376","8.3848","0.0003","8.9939","0.0004","11.1413","0.0005","102.733","0.002","90.338","0.002","113.054","0.002","750.09","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu N6 O3 -","- C14 H12 Cu N6 O3 -","- C28 H24 Cu2 N12 O6 -","2","1","","Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol","New Journal of Chemistry","2023","47","17","7965","7974","10.1039/D3NJ00512G","","","0.71073","MoKα","","0.022","0.0207","","","0.0571","0.058","","","","","","1.055","","","","has coordinates","283383","2023-05-05","02:53:42",""
"7062377","7.5563","0.0002","19.9231","0.0004","19.9344","0.0004","90","","90","","90","","3001.02","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 Cu N5 O3 -","- C16 H13 Cu N5 O3 -","- C128 H104 Cu8 N40 O24 -","8","1","","Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol","New Journal of Chemistry","2023","47","17","7965","7974","10.1039/D3NJ00512G","","","0.71073","MoKα","","0.0309","0.0249","","","0.0659","0.0695","","","","","","1.074","","","","has coordinates","283383","2023-05-05","02:53:44",""
"7062378","30.947","0.005","8.1219","0.001","20.211","0.002","90","","101.999","0.007","90","","4969","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Cu3 N12 O10 -","- C44 H34 Cu3 N12 O10 -","- C176 H136 Cu12 N48 O40 -","4","0.5","","Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol","New Journal of Chemistry","2023","47","17","7965","7974","10.1039/D3NJ00512G","","","0.71073","MoKα","","0.1192","0.0522","","","0.1304","0.159","","","","","","0.986","","","","has coordinates","283383","2023-05-05","02:53:44",""
"7062379","6.5206","0.0004","6.5408","0.0004","11.4026","0.0007","79.29","0.002","83.151","0.002","61.048","0.002","417.89","0.05","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- B6 O12 Sr Zn2 -","- B6 O12 Sr Zn2 -","- B12 O24 Sr2 Zn4 -","2","1","","Long, Xiangyu; Lv, Yan; Wu, Xueyan","Discovery of SrZn2B6O12 with an unprecedented quadruple-layered configuration","New Journal of Chemistry","2023","47","13","6041","6044","10.1039/D3NJ00611E","","x-ray","0.71073","MoKα","","0.0439","0.0359","","","0.0778","0.0828","","","","","","1.104","","","","has coordinates","283397","2023-05-05","02:58:46",""
"7062380","14.6176","0.0003","16.7506","0.0003","19.9647","0.0004","93.386","0.002","97.165","0.002","98.588","0.002","4780.81","0.17","101","1","101.15","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H80 Cl22 K2 N12 O12 Sn -","- C80 H80 Cl22 K2 N12 O12 Sn -","- C160 H160 Cl44 K4 N24 O24 Sn2 -","2","1","","Romanenko, Nikita R.; Faraonov, Maxim A.; Osipov, Nikita G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Heterotrimetallic paramagnetic complex of ring reduced tin(ii) hexadecachlorophthalocyanine","New Journal of Chemistry","2023","47","14","6924","6931","10.1039/D3NJ00506B","","","0.71073","MoKα","","0.045","0.0308","","","0.065","0.0711","","","","","","1.032","","","","has coordinates","283404","2023-05-05","03:02:09",""
"7062381","18.8458","0.0006","29.6617","0.0011","27.42","0.0011","90","","90","","90","","15327.7","1","150","0.14","150.15","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C71 H43 Cl20 Cr Fe N8 O2 Sn -","- C59 H35 Cl16 Cr Fe N8 O2 Sn -","- C472 H280 Cl128 Cr8 Fe8 N64 O16 Sn8 -","8","1","","Romanenko, Nikita R.; Faraonov, Maxim A.; Osipov, Nikita G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Heterotrimetallic paramagnetic complex of ring reduced tin(ii) hexadecachlorophthalocyanine","New Journal of Chemistry","2023","47","14","6924","6931","10.1039/D3NJ00506B","","","0.71073","MoKα","","0.1562","0.097","","","0.2385","0.2776","","","","","","1.029","","","","has coordinates","283404","2023-05-05","03:02:09",""
"7062382","9.0766","0.0003","9.3193","0.0003","11.4115","0.0004","73.245","0.003","83.671","0.003","84.492","0.002","916.57","0.06","294.67","0.12","294.67","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Zhang, Xiuqi; Zhang, Jie; Li, Lin; Zhang, Fukuan; Luo, Xuzhong; Luo, Haiqing","Rh(iii)-catalyzed direct ortho-C–H diarylation of arylsulfoximines with arylsilanes","New Journal of Chemistry","2023","47","14","6536","6539","10.1039/D2NJ06303D","","x-ray","1.54184","CuKα","","0.0498","0.0454","","","0.1231","0.1266","","","","","","1.061","","","","has coordinates","283408","2023-05-05","03:03:03",""
"7062383","8.9663","0.0002","9.2196","0.0003","10.1384","0.0003","109.529","0.003","106.432","0.002","96.016","0.002","738.97","0.04","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Guo, Hao; Wang, Huahao; Zhao, Hongyi; Zhang, Dongfeng","Visible light-promoted synthesis of 4,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-diones via [3+2] cycloaddition reaction of 2H-azirines with maleimides","New Journal of Chemistry","2023","47","12","5634","5638","10.1039/D2NJ06257G","","x-ray","0.71073","MoKα","","0.0421","0.0402","","","0.1147","0.1161","","","","","","1.049","","","","has coordinates","281951","2023-03-21","01:18:46",""
"7062384","17.6247","0.0004","7.6878","0.0002","22.1932","0.0006","90","","90","","90","","3007.07","0.13","170","0.1","170","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C152 H128 N16 O16 -","8","1","","Guo, Hao; Wang, Huahao; Zhao, Hongyi; Zhang, Dongfeng","Visible light-promoted synthesis of 4,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-diones via [3+2] cycloaddition reaction of 2H-azirines with maleimides","New Journal of Chemistry","2023","47","12","5634","5638","10.1039/D2NJ06257G","","x-ray","0.71073","MoKα","","0.0438","0.0393","","","0.1117","0.1147","","","","","","1.067","","","","has coordinates","281951","2023-03-21","01:18:52",""
"7062385","43.493","0.003","8.4563","0.0006","18.8102","0.0015","90","","93.291","0.002","90","","6906.8","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Br Cl2 N5 O10 Sm -","- C30 H31 Br Cl2 N5 O10 Sm -","- C240 H248 Br8 Cl16 N40 O80 Sm8 -","8","1","","Zhang, Chengjian; Zheng, Ruijie; Li, Sichen; Yang, Kang; Tai, Shengdi; Tao, Yinsong; Zhang, Shishen; Zhang, Kun","Using a dual-emission Sm(iii)-macrocycle as the perceptive lab-on-a-molecule chemosensor toward selective and discriminative detection of nitroaromatic explosives","New Journal of Chemistry","2023","47","16","7840","7848","10.1039/D3NJ00627A","","","0.71073","MoKα","","0.073","0.0406","","","0.0803","0.0906","","","","","","1.002","","","","has coordinates","283391","2023-05-05","02:55:07",""
"7062386","8.751","0.004","9.112","0.004","5.291","0.004","90","","90","","90","","421.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- H4 Li2 N O8 Rb S2 -","- H4 Li2 N O8 Rb S2 -","- H8 Li4 N2 O16 Rb2 S4 -","2","0.5","","Xu, Junxin; Sha, Hongyuan; Shang, Yanran; Wang, Zujian; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe2BO3F2-like structure and disordered cations","New Journal of Chemistry","2023","47","16","7521","7526","10.1039/D3NJ01114C","","","0.71073","MoKα","","0.0345","0.032","","","0.0713","0.0725","","","","","","0.981","","","","has coordinates,has disorder","283388","2023-05-05","02:54:36",""
"7062387","7.2003","0.0009","10.1086","0.0013","11.0066","0.0014","94.52","0.009","94.515","0.008","103.41","0.008","772.95","0.17","197","","197","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cl2 N2 O4 -","- C42 H26 Cl2 N2 O4 -","- C42 H26 Cl2 N2 O4 -","1","0.5","","Zheng, Zihang; Ju, Zhengkun; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Chen, Jinqiu; Yang, Bo; Mu, Zifeng; Zhang, Jing; Li, Pan; Sheng, Peng","Napthalene diimide derivative based organic cocrystal frameworks as cathode electrodes for stable lithium batteries","New Journal of Chemistry","2023","47","16","7476","7480","10.1039/D3NJ00698K","","","1.54178","CuKα","","0.0718","0.0613","","","0.1674","0.1788","","","","","","1.062","","","","has coordinates","283389","2023-05-05","02:54:43",""
"7062388","7.5507","0.0009","10.0972","0.0013","10.5074","0.0013","86.191","0.005","76.039","0.005","79.92","0.005","765.18","0.17","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O4 -","- C44 H30 N2 O4 -","- C44 H30 N2 O4 -","1","0.5","","Zheng, Zihang; Ju, Zhengkun; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Chen, Jinqiu; Yang, Bo; Mu, Zifeng; Zhang, Jing; Li, Pan; Sheng, Peng","Napthalene diimide derivative based organic cocrystal frameworks as cathode electrodes for stable lithium batteries","New Journal of Chemistry","2023","47","16","7476","7480","10.1039/D3NJ00698K","","","0.71073","MoKα","","0.1226","0.07","","","0.1546","0.1862","","","","","","1.019","","","","has coordinates","283389","2023-05-05","02:54:52",""
"7062389","18.564","0.01","5.046","0.002","11.181","0.005","90","","90","","90","","1047.4","0.8","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","R., Thrilokraj; Hegde, Rajeev V.; Ghosh, Arnab; Limaye, Akshay S.; Rode, Haridas B.; Sridhar, Balasubramanian; Dateer, Ramesh B.","A sustainable approach for nickel nanoparticles synthesis: expeditious access to N-heterocycles under heterogeneous condition and photophysical studies","New Journal of Chemistry","2023","47","17","8268","8276","10.1039/D3NJ00988B","","","0.71073","MoKα","","0.1132","0.0608","","","0.1332","0.1598","","","","","","1.036","","","","has coordinates","283382","2023-05-05","02:53:19",""
"7062390","20.469","0.004","8.7255","0.0014","13.948","0.002","90","","95.129","0.005","90","","2481.2","0.7","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Br2 Cl6 N2 Pd2 -","- C12 H30 Br2 Cl6 N2 Pd2 -","- C48 H120 Br8 Cl24 N8 Pd8 -","4","1","","Dakhlaoui, Imen; Karoui, Karim; Hajlaoui, Fadhel; Zaghrioui, Mustapha; Audebrand, Nathalie; Dallon, Marie; Jomni, Fathi","A new supramolecular semiconductor palladium(ii) complex [(CH3)3N(CH2)3Br]2Pd2Cl6: structural study, optical and electrical properties","New Journal of Chemistry","2023","47","17","8042","8049","10.1039/D3NJ00851G","","x-ray","0.71073","MoKα","","0.1209","0.1114","","","0.2528","0.2571","","","","","","1.295","","","","has coordinates,has disorder","283381","2023-05-05","02:53:05",""
"7062391","16.613","0.003","16.613","","14.28","0.002","90","","90","","120","","3413.1","0.8","296.15","","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","tris(N,N'-Diphenylquanidinum) hexabromoindium(iii)","","- C39 H42 Br6 In N9 -","- C39 H42 Br6 In N9 -","- C117 H126 Br18 In3 N27 -","3","0.166667","","Jin, Shuya; Wei, Qilin; Peng, Hui; Ke, Bao; Lin, Wenchao; He, Bin; Zhong, Xianci; Zou, Bingsuo","Boosting the broadband orange emission in organic–inorganic hybrid (DPG)3InBr6via antimony doping","New Journal of Chemistry","2023","47","17","8249","8257","10.1039/D3NJ01019H","","x-ray","0.71073","MoKα","","0.0468","0.0288","","","0.0667","0.075","","","","","","1.013","","","","has coordinates,has disorder","283385","2023-05-05","02:54:13",""
"7062392","13.8926","0.0004","18.2905","0.001","7.7364","0.0007","90","","99.426","0.002","90","","1939.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 B F2 N3 -","- C23 H18 B F2 N3 -","- C92 H72 B4 F8 N12 -","4","1","","Mathew, Diana; Sasidharan, Santanu; Saudagar, Prakash; Sujatha, Subramaniam; Parameswaran, Pattiyil","meso-Carbazole decorated BODIPYs – an electron donor–acceptor system with excellent fluorosolvato/vapochromic behavior, aggregation-induced emission, and antileishmanial activity","New Journal of Chemistry","2023","47","17","8277","8290","10.1039/D3NJ00747B","","","0.71073","MoKα","","0.1193","0.0487","","","0.1089","0.1479","","","","","","1.004","","","","has coordinates","283379","2023-05-05","02:52:39",""
"7062393","7.8494","0.0005","9.0853","0.0005","14.9436","0.0009","81.364","0.005","89.73","0.005","70.383","0.005","991.26","0.11","298","0.2","298","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cl2 F3 N O Ru -","- C17 H20 Cl2 F3 N O Ru -","- C34 H40 Cl4 F6 N2 O2 Ru2 -","2","1","","Patel, Bhavya; Ranjan, Rishi; Chauhan, Nimesh R.; Mukhopadhyay, Suman; Choudhury, Angshuman Roy; Vyas, Komal M.","N-coordinated Ru(ii) catalyzed solvent free N-alkylation of primary amines with alcohols through borrowing hydrogen strategy","New Journal of Chemistry","2023","47","17","8305","8317","10.1039/D3NJ00210A","","x-ray","0.71073","MoKα","","0.0929","0.0683","","","0.1852","0.2261","","","","","","1.07","","","","has coordinates,has disorder","283384","2023-05-05","02:53:59",""
"7062394","10.8285","0.0005","17.5067","0.0005","10.596","0.0005","90","","117.668","0.006","90","","1779.01","0.16","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl N O2 Ru -","- C20 H20 Cl N O2 Ru -","- C80 H80 Cl4 N4 O8 Ru4 -","4","1","","Patel, Bhavya; Ranjan, Rishi; Chauhan, Nimesh R.; Mukhopadhyay, Suman; Choudhury, Angshuman Roy; Vyas, Komal M.","N-coordinated Ru(ii) catalyzed solvent free N-alkylation of primary amines with alcohols through borrowing hydrogen strategy","New Journal of Chemistry","2023","47","17","8305","8317","10.1039/D3NJ00210A","","x-ray","0.71073","MoKα","","0.0618","0.04","","","0.0929","0.1091","","","","","","1.096","","","","has coordinates","283384","2023-05-05","02:53:59",""
"7062395","9.03801","0.00013","6.438","0.00009","13.5879","0.00018","90","","90.0399","0.0012","90","","790.635","0.019","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C42 H28 N4 O2 -","2","1","","Holakovský, Roman; Just, David; Eigner, Václav; Jakubec, Martin; Cuřínová, Petra","Binaphthalene-based cyclic homochiral ureas and their structure-related properties","New Journal of Chemistry","2023","47","18","8515","8523","10.1039/D2NJ06147C","","","1.54184","CuKα","","0.0294","0.028","","0.0782","0.0733","0.0782","","","","","","0.9855","","","","has coordinates","284306","2023-06-05","04:47:21",""
"7062396","9.8861","0.0006","15.6415","0.001","10.3461","0.0007","90","","105.983","0.0019","90","","1538.01","0.17","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H28 N4 O2 -","- C42 H28 N4 O2 -","- C84 H56 N8 O4 -","2","1","","Holakovský, Roman; Just, David; Eigner, Václav; Jakubec, Martin; Cuřínová, Petra","Binaphthalene-based cyclic homochiral ureas and their structure-related properties","New Journal of Chemistry","2023","47","18","8515","8523","10.1039/D2NJ06147C","","","1.54178","CuKα","","0.0311","0.0307","","0.0854","0.0849","0.0854","","","","","","1.0004","","","","has coordinates","284306","2023-06-05","04:47:22",""
"7062397","8.828","0.003","16.662","0.005","17.222","0.005","90","","93.13","0.02","90","","2529.4","1.4","273","2","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Niipa","","- C23 H18 N6 Ni O5.74 -","- C23 H18 N6 Ni O5.74 -","- C92 H72 N24 Ni4 O22.96 -","4","1","","Mondal, Tuhina; Hota, Poulami; Sarkar, Koushik; Debnath, Anup; Shaw, Bikash Kumar; Saha, Shyamal K.","A post synthetically modified metal–organic framework as an efficient hydrogen evolution reaction catalyst in all pH conditions","New Journal of Chemistry","2023","47","17","8102","8110","10.1039/D3NJ00791J","","","0.71073","MoKα","","0.0988","0.0509","","","0.1541","0.1841","","","","","","1.009","","","","has coordinates,has disorder","283376","2023-05-05","02:52:16",""
"7062398","11.6584","0.0003","8.0294","0.0003","36.9894","0.0011","90","","90","","90","","3462.58","0.19","150","0.2","150","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H14 B F7 N2 S -","- C17 H14 B F7 N2 S -","- C136 H112 B8 F56 N16 S8 -","8","1","","James, Richard D.; Cucinotta, Fabio; Waddell, Paul G.; Benniston, Andrew C.","Synthesis, structure and spectroscopic properties of BODIPY dyes incorporating the pentafluorosulfanylphenyl group","New Journal of Chemistry","2023","47","17","8451","8459","10.1039/D3NJ00633F","","x-ray","1.54184","CuKα","","0.0518","0.0387","","","0.0947","0.1032","","","","","","1.032","","","","has coordinates","283377","2023-05-05","02:52:24",""
"7062399","8.3305","0.0003","9.7633","0.0005","14.4959","0.0005","97.069","0.003","94.791","0.003","102.348","0.003","1135.61","0.08","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 B F7 N2 S -","- C25 H18 B F7 N2 S -","- C50 H36 B2 F14 N4 S2 -","2","1","","James, Richard D.; Cucinotta, Fabio; Waddell, Paul G.; Benniston, Andrew C.","Synthesis, structure and spectroscopic properties of BODIPY dyes incorporating the pentafluorosulfanylphenyl group","New Journal of Chemistry","2023","47","17","8451","8459","10.1039/D3NJ00633F","","x-ray","1.54184","CuKα","","0.0474","0.0348","","","0.0835","0.0916","","","","","","1.031","","","","has coordinates","283377","2023-05-05","02:52:24",""
"7062400","9.7817","0.0004","16.5352","0.0005","18.3684","0.0006","70.249","0.002","76.527","0.003","82.934","0.004","2716.03","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H70 F2 N13 P3 -","- C57 H70 F2 N13 P3 -","- C114 H140 F4 N26 P6 -","2","1","","Okumuş, Aytuğ; Elmas, Gamze; Binici, Arzu; Tunca, Ekrem; Hökelek, Tuncer; Kılıç, Zeynel","Phosphorus–nitrogen compounds: part 70. Syntheses of tetraaminomono/bis(4-fluorobenzyl)spiro(N/N)cyclotriphosphazenes: structural characterization, Hirshfeld surface analysis and comparative evaluation of esterase activities of hCA I and hCA II isoenzymes","New Journal of Chemistry","2023","47","18","8578","8588","10.1039/D3NJ00721A","","","0.71073","MoKα","","0.0941","0.0497","","","0.1066","0.127","","","","","","1.015","","","","has coordinates","284303","2023-06-05","04:46:26",""
"7062401","13.4145","0.0005","10.6112","0.0004","11.6042","0.0003","90","","109.399","0.001","90","","1558.01","0.09","296","0.2","296","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Mayank,; Singh, Ashutosh; Saumya, Kumar Udit; Joshi, Mayank; Kaur, Navneet; Garg, Neha; Singh, Narinder","Anticancer SAR establishment and α/β-tubulin isoform specific targeting: a detailed insight of the anticancer potential of 4H-chromene derivatives","New Journal of Chemistry","2023","47","18","8589","8601","10.1039/D2NJ04822A","","","0.71073","MoKα","","0.0767","0.0472","","","0.109","0.1232","","","","","","1.051","","","","has coordinates","284304","2023-06-05","04:46:44",""
"7062402","9.127","0.0003","9.5751","0.0003","9.8287","0.0003","65.837","0.001","70.687","0.001","89.621","0.001","731.27","0.04","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl4 Co2 N6 O2 -","- C26 H28 Cl4 Co2 N6 O2 -","- C26 H28 Cl4 Co2 N6 O2 -","1","0.5","","Singh, Anshu; Boro, Bishal; Maji, Ankur; Singh, Ovender; Singh, Sain; Singh, Udai P.; Ghosh, Kaushik","Design and synthesis of dinuclear cobalt(ii) complexes derived from strong π-acidic ligands: crystal structure and studies on the oxidation of sp3 C–H bonds","New Journal of Chemistry","2023","47","18","8951","8959","10.1039/D3NJ00128H","","","0.71073","MoKα","","0.0262","0.0245","","","0.063","0.0644","","","","","","1.065","","","","has coordinates","284307","2023-06-05","04:47:27",""
"7062403","18.768","","36.406","","9.542","","90","","95.27","","90","","6492.18","","100","0.3","100","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C75 H54 N6 -","- C75 H54 N6 -","- C300 H216 N24 -","4","1","","Zhou, Yunzhe; Deng, Zhonghua; Ji, Zhenyu; Zhang, Ziqing; Chen, Cheng; Wu, Mingyan","A π-stacked pure organic material with room temperature phosphorescence","New Journal of Chemistry","2023","47","16","7486","7490","10.1039/D3NJ01012K","","","1.3405","GaKα","","0.1195","0.0852","","","0.304","0.3321","","","","","","1.076","","","","has coordinates","283390","2023-05-05","02:55:00",""
"7062404","5.5829","0.0002","8.3646","0.0004","16.4765","0.0008","80.436","0.001","87.527","0.001","85.727","0.001","756.26","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","1-((1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-1H-pyrrolo[2,3-b]pyridine","","- C17 H14 Br N5 -","- C17 H14 Br N5 -","- C34 H28 Br2 N10 -","2","1","","Sharma, Kanika; Tittal, Ram Kumar; Lal, Kashmiri; Mathpati, Ramling S.; D., Ghule Vikas","Fluorescent 7-azaindole N-linked 1,2,3-triazole: synthesis and study of antimicrobial, molecular docking, ADME and DFT properties","New Journal of Chemistry","2023","47","19","9077","9086","10.1039/D3NJ00223C","","","0.71073","MoKα","","0.0294","0.0263","","","0.0636","0.0655","","","","","","1.041","","","","has coordinates","284293","2023-06-05","04:43:08",""
"7062405","7.0461","0.0009","11.5109","0.0014","23.868","0.003","91.44","0.01","92.78","0.01","102.417","0.01","1887.1","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I8 N8 S4 -","- C16 H22 I8 N8 S4 -","- C32 H44 I16 N16 S8 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Pivetta, Tiziana","A unique case of polymorphism in polyiodide networks resulting from the reaction of the drug methimazole and I2","New Journal of Chemistry","2023","47","17","8122","8130","10.1039/D3NJ00855J","","","0.71073","MoKα","","0.0667","0.0388","","","0.0886","0.0955","","","","","","0.902","","","","has coordinates","283386","2023-05-05","02:54:19",""
"7062406","10.2601","0.0002","11.4484","0.0002","12.6143","0.0003","66.03","0.001","73.559","0.001","77.067","0.001","1288.5","0.05","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 Cl4 N4 O10 S2 Zn3 -","- C42 H54 Cl4 N4 O10 S2 Zn3 -","- C42 H54 Cl4 N4 O10 S2 Zn3 -","1","0.5","","Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands","New Journal of Chemistry","2023","47","19","9346","9363","10.1039/D2NJ05490F","","","0.71073","MoKα","","0.0422","0.0315","","","0.0779","0.088","","","","","","1.0728","","","","has coordinates,has disorder","284292","2023-06-05","04:43:01",""
"7062407","18.9651","0.0004","10.1066","0.0003","11.3647","0.0002","90","","90","","90","","2178.3","0.09","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H24 Cl2 N2 O4 Zn2 -","- C19 H24 Cl2 N2 O4 Zn2 -","- C76 H96 Cl8 N8 O16 Zn8 -","4","1","","Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands","New Journal of Chemistry","2023","47","19","9346","9363","10.1039/D2NJ05490F","","","0.71073","MoKα","","0.0325","0.026","","","0.0616","0.0653","","","","","","1.03","","","","has coordinates","284292","2023-06-05","04:43:01",""
"7062408","12.6975","0.0007","16.8418","0.001","22.4492","0.0013","90","","90","","90","","4800.7","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Cl2 N2 O6 Zn2 -","- C21 H24 Cl2 N2 O6 Zn2 -","- C168 H192 Cl16 N16 O48 Zn16 -","8","1","","Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands","New Journal of Chemistry","2023","47","19","9346","9363","10.1039/D2NJ05490F","","","0.71073","MoKα","","0.0953","0.0414","","","0.108","0.138","","","","","","1.011","","","","has coordinates","284292","2023-06-05","04:43:01",""
"7062409","11.1806","0.0012","22.442","0.002","20.274","0.002","90","","100.96","0.003","90","","4994.3","0.9","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Cl4 N8 O8 S0.64 Zn3 -","- C41 H52 Cl4 N8 O8 S0.641 Zn3 -","- C164 H208 Cl16 N32 O32 S2.564 Zn12 -","4","1","","Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands","New Journal of Chemistry","2023","47","19","9346","9363","10.1039/D2NJ05490F","","","0.71073","MoKα","","0.0563","0.0401","","","0.1061","0.1218","","","","","","1.052","","","","has coordinates,has disorder","284292","2023-06-05","04:43:01",""
"7062410","19.2795","0.0006","11.2918","0.0004","19.3179","0.0006","90","","108.953","0.001","90","","3977.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 N4 O3 -","- C48 H54 N4 O3 -","- C192 H216 N16 O12 -","4","1","","Balashova, Tatyana V.; Arsenyev, Maxim V.; Polyakova, Svetlana K.; Ilichev, Vasily A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Bochkarev, Mikhail N.","New NIR-luminescent lanthanide complexes with tridentate oxybenzophenanthroline ligands","New Journal of Chemistry","2023","47","19","9164","9173","10.1039/D3NJ00625E","","","0.71073","MoKα","","0.0825","0.0632","","","0.143","0.1528","","","","","","1.053","","","","has coordinates,has disorder","284295","2023-06-05","04:43:44",""
"7062411","13.6724","0.0009","19.0215","0.0012","28.6433","0.0018","89.019","0.002","78.465","0.002","78.817","0.002","7158.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80.86 H97.15 N6 O7.42 Yb -","- C72 H75 N6 O3 Yb -","- C288 H300 N24 O12 Yb4 -","4","2","","Balashova, Tatyana V.; Arsenyev, Maxim V.; Polyakova, Svetlana K.; Ilichev, Vasily A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Bochkarev, Mikhail N.","New NIR-luminescent lanthanide complexes with tridentate oxybenzophenanthroline ligands","New Journal of Chemistry","2023","47","19","9164","9173","10.1039/D3NJ00625E","","","0.71073","MoKα","","0.0822","0.0515","","","0.1027","0.1104","","","","","","1.036","","","","has coordinates,has disorder","284295","2023-06-05","04:43:45",""
"7062412","13.8345","0.0008","19.0764","0.001","28.7125","0.0016","88.894","0.002","79.094","0.002","78.431","0.002","7288.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81.85 H99.62 N6 O5.46 Sm -","- C72 H75 N6 O3 Sm -","- C288 H300 N24 O12 Sm4 -","4","2","","Balashova, Tatyana V.; Arsenyev, Maxim V.; Polyakova, Svetlana K.; Ilichev, Vasily A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Bochkarev, Mikhail N.","New NIR-luminescent lanthanide complexes with tridentate oxybenzophenanthroline ligands","New Journal of Chemistry","2023","47","19","9164","9173","10.1039/D3NJ00625E","","","0.71073","MoKα","","0.0862","0.0595","","","0.1143","0.1248","","","","","","1.053","","","","has coordinates","284295","2023-06-05","04:43:48",""
"7062413","17.9742","0.0003","20.4799","0.0003","20.6115","0.0003","87.746","0.001","84.166","0.001","74.752","0.001","7281.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.88 H102.72 Er N6 O3 -","- C72 H75 Er N6 O3 -","- C288 H300 Er4 N24 O12 -","4","2","","Balashova, Tatyana V.; Arsenyev, Maxim V.; Polyakova, Svetlana K.; Ilichev, Vasily A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Bochkarev, Mikhail N.","New NIR-luminescent lanthanide complexes with tridentate oxybenzophenanthroline ligands","New Journal of Chemistry","2023","47","19","9164","9173","10.1039/D3NJ00625E","","","0.71073","MoKα","","0.0557","0.0385","","","0.0865","0.0938","","","","","","1.053","","","","has coordinates,has disorder","284295","2023-06-05","04:43:57",""
"7062414","11.949","0.004","11.507","0.004","13.75","0.004","90","","109.32","0.02","90","","1784.1","1","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C46 H38 P2 Pd -","- C46 H38 P2 Pd -","- C92 H76 P4 Pd2 -","2","1","","Fehn, Natalie; Strauss, Melanie; Jandl, Christian; Drees, Markus; Heiz, Ueli; Köhler, Klaus; Kartouzian, Aras","On the nature of optical activity in chiral transition metal complexes: [Pd(Me)2(BINAP)]","New Journal of Chemistry","2023","47","17","7961","7964","10.1039/D3NJ00945A","","x-ray","0.71073","MoKα","","0.0485","0.0361","","","0.0651","0.0693","","","","","","0.991","","","","has coordinates","283380","2023-05-05","02:52:48",""
"7062415","11.8884","0.0006","11.4981","0.0005","13.7715","0.0007","90","","109.11","0.002","90","","1778.74","0.15","103","","103","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C46 H38 P2 Pd -","- C46 H38 P2 Pd -","- C92 H76 P4 Pd2 -","2","1","","Fehn, Natalie; Strauss, Melanie; Jandl, Christian; Drees, Markus; Heiz, Ueli; Köhler, Klaus; Kartouzian, Aras","On the nature of optical activity in chiral transition metal complexes: [Pd(Me)2(BINAP)]","New Journal of Chemistry","2023","47","17","7961","7964","10.1039/D3NJ00945A","","x-ray","0.71073","MoKα","","0.0327","0.0267","","","0.0515","0.0531","","","","","","1.045","","","","has coordinates","283380","2023-05-05","02:52:51",""
"7062416","5.9615","0.0002","14.5594","0.0007","23.8714","0.0011","90","","90","","90","","2071.94","0.15","297.4","0.5","297.4","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.1321","0.0952","","","0.2346","0.2916","","","","","","1.001","","","","has coordinates","284296","2023-06-05","04:44:19",""
"7062417","20.3465","0.0007","10.9821","0.0003","23.9221","0.0009","90","","112.054","0.004","90","","4954.2","0.3","297.6","","297.6","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H25 N5 O4 S -","- C25 H25 N5 O4 S -","- C200 H200 N40 O32 S8 -","8","2","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.1436","0.1008","","","0.3121","0.3473","","","","","","1.072","","","","has coordinates","284296","2023-06-05","04:44:28",""
"7062418","25.8268","0.0011","16.275","0.0007","10.0472","0.0005","90","","90","","90","","4223.2","0.3","284","","284","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H36 Cl2 N4 O11 S2 -","- C38 H34 N4 O11 S2 -","- C152 H136 N16 O44 S8 -","4","0.5","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.0934","0.0579","","","0.1543","0.1784","","","","","","1.067","","","","has coordinates","284296","2023-06-05","04:44:32",""
"7062419","10.4254","0.0003","11.9858","0.0004","12.4011","0.0003","69.515","0.003","75.7","0.003","88.454","0.003","1403.61","0.08","299","","299","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H24.5 Cl2.5 N5 O5 S -","- C25 H24 Cl N5 O5 S -","- C50 H48 Cl2 N10 O10 S2 -","2","1","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.0851","0.053","","","0.142","0.1622","","","","","","1.108","","","","has coordinates","284296","2023-06-05","04:44:45",""
"7062420","7.7998","0.0005","16.6494","0.001","21.171","0.0014","76.121","0.005","83.698","0.005","89.177","0.005","2652.7","0.3","111.88","","111.88","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C124 H108 N4 O16 S4 -","4","2","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.2074","0.0954","","","0.2297","0.3113","","","","","","0.946","","","","has coordinates","284296","2023-06-05","04:44:49",""
"7062421","12.9092","0.0017","6.0215","0.0007","29.195","0.004","90","","98.799","0.005","90","","2242.7","0.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O4 S -","- C24 H19 Cl2 N O4 S -","- C96 H76 Cl8 N4 O16 S4 -","4","1","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","","0.71073","MoKα","","0.0707","0.049","","","0.1358","0.1441","","","","","","1.0091","","","","has coordinates","284296","2023-06-05","04:44:59",""
"7062422","7.2081","0.0014","13.4249","0.0019","19.416","0.005","90","","94.88","0.02","90","","1872","0.7","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl Mn N2 O8 -","- C16 H18 Cl Mn N2 O8 -","- C64 H72 Cl4 Mn4 N8 O32 -","4","1","","Bandopadhyay, Nilaj; Paramanik, Krishnendu; Sarkar, Gayetri; Chatterjee, Souvik; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Catalytic fate of structurally characterized manganese(iii)–salen complexes towards efficient transformation of primary amides to amines or nitriles using hydrosilane","New Journal of Chemistry","2023","47","19","9414","9420","10.1039/D3NJ01183F","","x-ray","0.71073","MoKα","","0.1166","0.0883","","","0.2304","0.2708","","","","","","1.055","","","","has coordinates","284294","2023-06-05","04:43:15",""
"7062423","13.6561","0.0001","21.2356","0.0002","14.0327","0.0001","90","","96.341","0.001","90","","4044.52","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H72 F12 Mn4 N8 O28 S4 -","- C68 H72 F12 Mn4 N8 O28 S4 -","- C136 H144 F24 Mn8 N16 O56 S8 -","2","0.5","","Bandopadhyay, Nilaj; Paramanik, Krishnendu; Sarkar, Gayetri; Chatterjee, Souvik; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Catalytic fate of structurally characterized manganese(iii)–salen complexes towards efficient transformation of primary amides to amines or nitriles using hydrosilane","New Journal of Chemistry","2023","47","19","9414","9420","10.1039/D3NJ01183F","","x-ray","1.54184","CuKα","","0.0394","0.0369","","","0.0921","0.0934","","","","","","1.04","","","","has coordinates","284294","2023-06-05","04:43:16",""
"7062424","10.981","0.005","11.954","0.005","17.826","0.005","100.945","0.005","90.352","0.005","108.241","0.005","2176.5","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 Br2 Mn3 N2 O19 -","- C30 H50 Br2 Mn3 N2 O19 -","- C60 H100 Br4 Mn6 N4 O38 -","2","1","","Dasgupta, Sanchari; Karim, Suhana; Khatua, Somanjana; Adhikary, Amit; Acharya, Krishnendu; Zangrando, Ennio; Maity, Suvendu; Das, Debasis","Unprecedented pseudo-zeroth-order kinetics of the catecholase-like activity of mixed-valence MnIIMn2III complexes","New Journal of Chemistry","2023","47","20","9681","9691","10.1039/D2NJ06357C","","","0.71073","MoKα","","0.1026","0.0484","","","0.1046","0.1297","","","","","","1.035","","","","has coordinates","284300","2023-06-05","04:45:47",""
"7062425","8.231","0.0016","12.816","0.003","13.335","0.003","61.78","0.03","85.43","0.03","73.33","0.03","1184.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H54 Br4 Mn3 N2 O17 -","- C35 H54 Br4 Mn3 N2 O17 -","- C35 H54 Br4 Mn3 N2 O17 -","1","0.5","","Dasgupta, Sanchari; Karim, Suhana; Khatua, Somanjana; Adhikary, Amit; Acharya, Krishnendu; Zangrando, Ennio; Maity, Suvendu; Das, Debasis","Unprecedented pseudo-zeroth-order kinetics of the catecholase-like activity of mixed-valence MnIIMn2III complexes","New Journal of Chemistry","2023","47","20","9681","9691","10.1039/D2NJ06357C","","","0.7","synchrotron","","0.0279","0.0271","","","0.0657","0.0661","","","","","","1.159","","","","has coordinates","284300","2023-06-05","04:45:47",""
"7062426","10.3942","0.0004","8.7315","0.0004","24.6346","0.001","90","","101.023","0.004","90","","2194.51","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C120 H96 N8 O4 -","4","1","","Ma, Chixiao; Zhang, Junyong; Xu, Hao; Zeng, Xianghua; Gong, Chunhua; Xie, Jingli","Two novel metal–organic frameworks constructed by pyridinyl-derived and carboxylate mixed ligands for photocatalytic dye degradation","New Journal of Chemistry","2023","47","24","11408","11413","10.1039/D2NJ05751D","","x-ray","1.54184","CuKα","","0.0742","0.0467","","","0.1141","0.1296","","","","","","1.021","","","","has coordinates","284931","2023-07-05","10:30:20",""
"7062427","9.2944","0.0006","10.2181","0.0004","17.8346","0.0008","74.259","0.004","87.391","0.004","73.98","0.005","1566.15","0.15","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Cd N2 O5 -","- C39 H30 Cd N2 O5 -","- C78 H60 Cd2 N4 O10 -","2","1","","Ma, Chixiao; Zhang, Junyong; Xu, Hao; Zeng, Xianghua; Gong, Chunhua; Xie, Jingli","Two novel metal–organic frameworks constructed by pyridinyl-derived and carboxylate mixed ligands for photocatalytic dye degradation","New Journal of Chemistry","2023","47","24","11408","11413","10.1039/D2NJ05751D","","","0.71073","MoKα","","0.1048","0.0489","","","0.054","0.0617","","","","","","0.854","","","","has coordinates","284931","2023-07-05","10:30:31",""
"7062428","9.1906","0.0008","9.993","0.0008","17.5968","0.0015","100.867","0.007","91.85","0.007","105.456","0.007","1523.9","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 N2 O5 Zn -","- C39 H30 N2 O5 Zn -","- C78 H60 N4 O10 Zn2 -","2","1","","Ma, Chixiao; Zhang, Junyong; Xu, Hao; Zeng, Xianghua; Gong, Chunhua; Xie, Jingli","Two novel metal–organic frameworks constructed by pyridinyl-derived and carboxylate mixed ligands for photocatalytic dye degradation","New Journal of Chemistry","2023","47","24","11408","11413","10.1039/D2NJ05751D","","","0.71073","MoKα","","0.175","0.0585","","","0.0693","0.1091","","","","","","0.827","","","","has coordinates","284931","2023-07-05","10:30:36",""
"7062429","7.786","0.004","11.835","0.005","12.18","0.006","69.541","0.014","85.096","0.016","88.432","0.015","1047.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu2 N8 O10 -","- C16 H16 Cu2 N8 O10 -","- C32 H32 Cu4 N16 O20 -","2","1","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.1293","0.0722","","","0.1835","0.204","","","","","","1.149","","","","has coordinates","284297","2023-06-05","04:45:17",""
"7062430","5.3873","0.0007","6.9457","0.0008","15.7187","0.0019","90.039","0.004","90.275","0.004","108.287","0.004","558.46","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu3 N8 O12 -","- C16 H18 Cu3 N8 O12 -","- C16 H18 Cu3 N8 O12 -","1","0.5","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.0479","0.0282","","","0.0602","0.0656","","","","","","1.031","","","","has coordinates,has disorder","284297","2023-06-05","04:45:17",""
"7062431","7.1285","0.0002","8.7861","0.0003","9.739","0.0004","114.032","0.001","94.776","0.001","101.957","0.001","535.33","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","{diaqua-bis(ethylenediamine)-bis(mu-pyrazole-3,5-dicarbarboxylato)tricopper(II)}","","","- C14 H22 Cu3 N8 O10 -","- C14 H22 Cu3 N8 O10 -","- C14 H22 Cu3 N8 O10 -","1","0.5","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.0413","0.0313","","","0.0731","0.077","","","","","","1.043","","","","has coordinates","284297","2023-06-05","04:45:17",""
"7062432","11.9032","0.0001","11.9032","0.0001","41.3061","0.0007","90","","90","","90","","5852.5","0.12","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H20 Cu4 N16 Na4 O18 -","- C32 H20 Cu4 N16 Na4 O18 -","- C128 H80 Cu16 N64 Na16 O72 -","4","0.25","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.0725","0.0588","","","0.1846","0.1926","","","","","","1.08","","","","has coordinates,has disorder","284297","2023-06-05","04:45:17",""
"7062433","5.1649","0.0002","6.8991","0.0003","12.568","0.0005","96.615","0.002","94.583","0.002","102.134","0.002","432.41","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cu3 N4 O14 -","- C10 H14 Cu3 N4 O14 -","- C10 H14 Cu3 N4 O14 -","1","0.5","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.0599","0.0393","","","0.0895","0.0974","","","","","","1.047","","","","has coordinates","284297","2023-06-05","04:45:17",""
"7062434","6.338","0.003","7.373","0.003","13.513","0.006","76.802","0.013","82.568","0.014","72.681","0.014","585.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cu2 N8 O10 -","- C20 H20 Cu2 N8 O10 -","- C20 H20 Cu2 N8 O10 -","1","0.5","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.0485","0.0307","","","0.0585","0.0636","","","","","","1.041","","","","has coordinates","284297","2023-06-05","04:45:17",""
"7062435","11.829","0.0003","8.581","0.0003","24.314","0.0007","90","","90.273","0.001","90","","2467.96","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Cu4 N12 O20 -","- C46 H44 Cu4 N12 O20 -","- C92 H88 Cu8 N24 O40 -","2","0.5","","Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands","New Journal of Chemistry","2023","47","20","9669","9680","10.1039/D3NJ00821E","","","0.71073","MoKα","","0.0436","0.0293","","","0.0667","0.0722","","","","","","1.052","","","","has coordinates","284297","2023-06-05","04:45:17",""
"7062436","6.0236","0.0004","9.6327","0.0007","17.0316","0.0012","79.749","0.003","89.873","0.003","74.604","0.003","936.5","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C48 H42 N2 O6 -","2","1","","Hao, Liqiang; Wu, Gaorong; Wang, Yangyang; Xu, Xiaobo; Ji, Yafei","Synthesis of 1,4-benzoxazine derivatives from α-aminocarbonyls under transition-metal-free conditions","New Journal of Chemistry","2023","47","20","9527","9531","10.1039/D3NJ00957B","","","1.54178","CuKα","","0.0708","0.0639","","","0.1732","0.1761","","","","","","1.064","","","","has coordinates","284299","2023-06-05","04:45:32",""
"7062437","22.4873","0.0012","10.3091","0.0005","23.5539","0.0013","90","","97.174","0.002","90","","5417.6","0.5","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H84 N6 Zn -","- C64 H84 N6 Zn -","- C256 H336 N24 Zn4 -","4","1","","Lu, Yanhua; Li, Yafei; She, Yeye; Jia, Chaohong; Li, Yahong","Syntheses, characterizations and catalytic properties of three zinc complexes and one lithium compound chelated by β-diketiminate ligands","New Journal of Chemistry","2023","47","18","8933","8941","10.1039/D3NJ00713H","","","1.34138","GaKα","","0.0527","0.04","","","0.0983","0.1052","","","","","","1.036","","","","has coordinates","284305","2023-06-05","04:47:02",""
"7062438","9.7865","0.0005","10.9488","0.0006","14.572","0.0007","87.784","0.002","74.01","0.002","88.444","0.002","1499.64","0.13","120.01","","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H47 N3 Zn -","- C34 H47 N3 Zn -","- C68 H94 N6 Zn2 -","2","1","","Lu, Yanhua; Li, Yafei; She, Yeye; Jia, Chaohong; Li, Yahong","Syntheses, characterizations and catalytic properties of three zinc complexes and one lithium compound chelated by β-diketiminate ligands","New Journal of Chemistry","2023","47","18","8933","8941","10.1039/D3NJ00713H","","","0.71073","MoKα","","0.0759","0.0447","","","0.0913","0.102","","","","","","1.074","","","","has coordinates","284305","2023-06-05","04:47:14",""
"7062439","32.1803","0.0015","12.7041","0.0005","23.3535","0.0009","90","","110.407","0.003","90","","8948.2","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H61 Cl3 N4 Zn2 -","- C43 H61 Cl3 N4 Zn2 -","- C344 H488 Cl24 N32 Zn16 -","8","1","","Lu, Yanhua; Li, Yafei; She, Yeye; Jia, Chaohong; Li, Yahong","Syntheses, characterizations and catalytic properties of three zinc complexes and one lithium compound chelated by β-diketiminate ligands","New Journal of Chemistry","2023","47","18","8933","8941","10.1039/D3NJ00713H","","","1.34139","GaKα","","0.112","0.0617","","","0.1646","0.1956","","","","","","1.07","","","","has coordinates,has disorder","284305","2023-06-05","04:47:14",""
"7062440","7.0488","0.0018","7.5849","0.0018","13.336","0.003","99.682","0.003","92.062","0.004","90.229","0.003","702.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Fe N12 O2 Pt -","- C28 H16 Fe N12 O2 Pt -","- C28 H16 Fe N12 O2 Pt -","1","0.5","","Feng, Zhe; Ling, Jie-Jie; Song, Huijie; Zhu, Dunru","Modulation of the spin transition in 2D Hofmann frameworks via π⋯π stacking between the axial 2,5-dipyridyl-1,3,4-oxadiazoles","New Journal of Chemistry","2023","47","21","10162","10168","10.1039/D3NJ01390A","","","0.71073","MoKα","","0.0299","0.0283","","","0.0582","0.0586","","","","","","1.043","","","","has coordinates","284950","2023-07-05","10:41:16",""
"7062441","6.898","0.003","7.436","0.004","13.424","0.007","98.963","0.005","92.418","0.006","90.299","0.006","679.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Fe N12 Ni O2 -","- C28 H16 Fe N12 Ni O2 -","- C28 H16 Fe N12 Ni O2 -","1","0.5","","Feng, Zhe; Ling, Jie-Jie; Song, Huijie; Zhu, Dunru","Modulation of the spin transition in 2D Hofmann frameworks via π⋯π stacking between the axial 2,5-dipyridyl-1,3,4-oxadiazoles","New Journal of Chemistry","2023","47","21","10162","10168","10.1039/D3NJ01390A","","","0.71073","MoKα","","0.0541","0.036","","","0.0893","0.0951","","","","","","1.02","","","","has coordinates","284950","2023-07-05","10:41:17",""
"7062442","7.036","0.005","7.641","0.005","13.358","0.009","100.392","0.008","91.265","0.008","90.145","0.008","706.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Fe N12 O2 Pd -","- C28 H16 Fe N12 O2 Pd -","- C28 H16 Fe N12 O2 Pd -","1","0.5","","Feng, Zhe; Ling, Jie-Jie; Song, Huijie; Zhu, Dunru","Modulation of the spin transition in 2D Hofmann frameworks via π⋯π stacking between the axial 2,5-dipyridyl-1,3,4-oxadiazoles","New Journal of Chemistry","2023","47","21","10162","10168","10.1039/D3NJ01390A","","","0.71073","MoKα","","0.0726","0.0595","","","0.1601","0.1694","","","","","","1.039","","","","has coordinates","284950","2023-07-05","10:41:17",""
"7062443","19.568","0.0016","9.9901","0.0006","19.1861","0.0014","90","","111.054","0.006","90","","3500.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl2 N5 O3 Ru -","- C31 H43 Cl2 N5 O3 Ru -","- C124 H172 Cl8 N20 O12 Ru4 -","4","1","","Dayan, Serkan; Özdemir, Namık; Erdener, Diğdem; Dayan, Osman; Çetinkaya, Bekir","Synthesis of a cationic ruthenium(ii) complex and its non-enzymatic glucose-sensing properties","New Journal of Chemistry","2023","47","21","10187","10194","10.1039/D2NJ05470A","","","0.71073","MoKα","","0.1707","0.0676","","","0.1403","0.179","","","","","","0.931","","","","has coordinates,has disorder","284952","2023-07-05","10:42:12",""
"7062444","14.641","0.002","17.787","0.003","8.0993","0.0012","90","","114.446","0.005","90","","1920.1","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Na Ni2 O12 -","- C12 H19 Na Ni2 O12 -","- C48 H76 Na4 Ni8 O48 -","4","0.5","","Trivedi, Manoj; Singh, Gurmeet; Sharma, Raj Kishore; Rath, Nigam P.; Husain, Ahmad","Synthetic, spectral, structural and catalytic activities of 3-D metal format/acetate framework materials for CO2 conversion","New Journal of Chemistry","2023","47","22","10585","10592","10.1039/D3NJ01463K","","","0.71073","MoKα","","0.0864","0.0686","","","0.174","0.1952","","","","","","1.349","","","","has coordinates","284939","2023-07-05","10:33:51",""
"7062445","8.4955","0.0015","7.0739","0.0014","9.4178","0.0018","90","","97.021","0.005","90","","561.73","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cu O6 -","- C2 H6 Cu O6 -","- C8 H24 Cu4 O24 -","4","1","","Trivedi, Manoj; Singh, Gurmeet; Sharma, Raj Kishore; Rath, Nigam P.; Husain, Ahmad","Synthetic, spectral, structural and catalytic activities of 3-D metal format/acetate framework materials for CO2 conversion","New Journal of Chemistry","2023","47","22","10585","10592","10.1039/D3NJ01463K","","","0.71073","MoKα","","0.0271","0.0218","","","0.0565","0.0592","","","","","","1.07","","","","has coordinates","284939","2023-07-05","10:34:05",""
"7062446","6.849","0.0002","9.0017","0.0002","14.0341","0.0003","92.744","0.002","98.751","0.002","112.305","0.002","785.89","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 N7 O5 S -","- C10 H19 N7 O5 S -","- C20 H38 N14 O10 S2 -","2","1","","Karthick, Kettalu Ananthan; Shankar, Bhaskaran; Gayathri, Santhalingam; Aravind, Manikka Kubendran; Ashokkumar, Balasubramaniem; Tamilselvi, Arunachalam","Dual responsive pyridoxal-AHMT based fluorescent sensor towards zinc(ii) and mercury(ii) ions and its bioimaging application","New Journal of Chemistry","2023","47","19","9427","9439","10.1039/D3NJ00890H","","","0.71073","MoKα","","0.0403","0.0357","","","0.094","0.098","","","","","","1.077","","","","has coordinates","284290","2023-06-05","04:42:16",""
"7062447","9.1842","0.0002","17.3175","0.0005","20.4838","0.0007","90","","96.101","0.001","90","","3239.44","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu N6 O4.5 -","- C15 H15 Cu N6 O4.5 -","- C120 H120 Cu8 N48 O36 -","8","2","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.0747","0.0475","","","0.099","0.1119","","","","","","1.035","","","","has coordinates","284291","2023-06-05","04:42:30",""
"7062448","12.9458","0.0004","19.8921","0.0006","17.8258","0.0005","90","","96.84","0.001","90","","4557.8","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu3 N20 O15 -","- C36 H23.78 Cu3 N20 O15 -","- C144 H95.12 Cu12 N80 O60 -","4","0.5","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.0733","0.0471","","","0.1151","0.1287","","","","","","1.056","","","","has coordinates,has disorder","284291","2023-06-05","04:42:32",""
"7062449","11.1628","0.0006","18.0968","0.001","7.7861","0.0004","90","","106.21","0.002","90","","1510.35","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","1","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.0524","0.0411","","","0.0847","0.089","","","","","","1.041","","","","has coordinates","284291","2023-06-05","04:42:33",""
"7062450","7.3702","0.0002","10.2412","0.0002","10.3398","0.0003","71.39","0.001","70.13","0.001","73.883","0.001","682.97","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cu N6 O3 -","- C13 H12 Cu N6 O3 -","- C26 H24 Cu2 N12 O6 -","2","1","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.0405","0.0341","","","0.0786","0.0825","","","","","","1.032","","","","has coordinates","284291","2023-06-05","04:42:33",""
"7062451","11.5059","0.0005","21.8114","0.0009","8.6454","0.0004","90","","110.549","0.001","90","","2031.6","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N10 O4 -","- C18 H18 Cu N10 O4 -","- C72 H72 Cu4 N40 O16 -","4","1","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.0978","0.0604","","","0.1285","0.1435","","","","","","1.04","","","","has coordinates","284291","2023-06-05","04:42:33",""
"7062452","8.6431","0.0002","16.2056","0.0003","18.2899","0.0004","90","","90","","90","","2561.8","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cu N6 O2 -","- C13 H10 Cu N6 O2 -","- C104 H80 Cu8 N48 O16 -","8","1","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.1067","0.0929","","","0.1869","0.1932","","","","","","1.161","","","","has coordinates","284291","2023-06-05","04:42:33",""
"7062453","13.6079","0.0004","9.0225","0.0002","19.8301","0.0005","90","","93.872","0.001","90","","2429.13","0.11","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H50 Cu3 N20 O12 -","- C40 H48 Cu3 N20 O12 -","- C80 H96 Cu6 N40 O24 -","2","0.5","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.0763","0.0542","","","0.1469","0.1642","","","","","","1.049","","","","has coordinates,has disorder","284291","2023-06-05","04:42:33",""
"7062454","19.0581","0.0007","9.1854","0.0004","21.4525","0.0009","90","","101.231","0.001","90","","3683.5","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 Cu2 N12 O8 S -","- C32 H30 Cl2 Cu2 N12 O8 S -","- C128 H120 Cl8 Cu8 N48 O32 S4 -","4","1","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.1192","0.0899","","","0.1948","0.2079","","","","","","1.156","","","","has coordinates","284291","2023-06-05","04:42:33",""
"7062455","14.0602","0.0002","19.7131","0.0003","17.4249","0.0003","90","","103.678","0.0018","90","","4692.69","0.13","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H25 Eu F18 N2 O8 P2 -","- C43 H25 Eu F18 N2 O8 P2 -","- C172 H100 Eu4 F72 N8 O32 P8 -","4","1","","Bryleva, Yuliya A.; Komarov, Vladislav Yu.; Glinskaya, Ludmila A.; Artem'ev, Alexander V.; Davydova, Maria P.; Rakhmanova, Mariana I.; Samsonenko, Denis G.","Highly photo- and triboluminescent lanthanide(iii) coordination polymers based on diphosphine dioxides containing azaheterocyclic linkers","New Journal of Chemistry","2023","47","21","10446","10454","10.1039/D3NJ01119D","","x-ray","0.71073","MoKα","","0.0329","0.0281","","","0.0642","0.0659","","","","","","1.041","","","","has coordinates,has disorder","284951","2023-07-05","10:41:44",""
"7062456","13.954","0.0003","21.2348","0.0004","16.3514","0.0003","90","","101.604","0.002","90","","4746.06","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H25 F18 N2 O8 P2 Tb -","- C43 H25 F18 N2 O8 P2 Tb -","- C172 H100 F72 N8 O32 P8 Tb4 -","4","1","","Bryleva, Yuliya A.; Komarov, Vladislav Yu.; Glinskaya, Ludmila A.; Artem'ev, Alexander V.; Davydova, Maria P.; Rakhmanova, Mariana I.; Samsonenko, Denis G.","Highly photo- and triboluminescent lanthanide(iii) coordination polymers based on diphosphine dioxides containing azaheterocyclic linkers","New Journal of Chemistry","2023","47","21","10446","10454","10.1039/D3NJ01119D","","x-ray","0.71073","MoKα","","0.0516","0.0392","","","0.1002","0.1065","","","","","","1.048","","","","has coordinates,has disorder","284951","2023-07-05","10:41:45",""
"7062457","13.8954","0.0006","19.2681","0.0007","18.7132","0.0008","90","","107.503","0.002","90","","4778.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H25 F18 N2 O8 P2 Tb -","- C43 H25 F18 N2 O8 P2 Tb -","- C172 H100 F72 N8 O32 P8 Tb4 -","4","1","","Bryleva, Yuliya A.; Komarov, Vladislav Yu.; Glinskaya, Ludmila A.; Artem'ev, Alexander V.; Davydova, Maria P.; Rakhmanova, Mariana I.; Samsonenko, Denis G.","Highly photo- and triboluminescent lanthanide(iii) coordination polymers based on diphosphine dioxides containing azaheterocyclic linkers","New Journal of Chemistry","2023","47","21","10446","10454","10.1039/D3NJ01119D","","","0.71073","MoKα","","0.0672","0.0442","","","0.1132","0.1284","","","","","","1.061","","","","has coordinates,has disorder","284951","2023-07-05","10:41:45",""
"7062458","13.1593","0.001","18.8395","0.0015","30.99","0.002","103.866","0.003","97.437","0.003","96.554","0.003","7311.7","0.9","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H25 Eu F18 N2 O8 P2 -","- C43 H25 Eu F18 N2 O8 P2 -","- C258 H150 Eu6 F108 N12 O48 P12 -","6","6","","Bryleva, Yuliya A.; Komarov, Vladislav Yu.; Glinskaya, Ludmila A.; Artem'ev, Alexander V.; Davydova, Maria P.; Rakhmanova, Mariana I.; Samsonenko, Denis G.","Highly photo- and triboluminescent lanthanide(iii) coordination polymers based on diphosphine dioxides containing azaheterocyclic linkers","New Journal of Chemistry","2023","47","21","10446","10454","10.1039/D3NJ01119D","","","0.71073","MoKα","","0.0667","0.0494","","","0.1161","0.1256","","","","","","1.047","","","","has coordinates,has disorder","284951","2023-07-05","10:41:45",""
"7062459","10.3004","0.0002","11.6368","0.0003","47.0635","0.0014","90","","92.625","0.003","90","","5635.3","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 S2 -","- C36 H34 S2 -","- C288 H272 S16 -","8","2","","Higashino, Taiki; Hara, Yasuto; Imato, Keiichi; Akiyama, Seiji; Ishida, Mio; Ooyama, Yousuke","Synthesis of 1,1′-diaryl-4,4′-bibenzo[c]thiophene derivatives with aryl substituents on the thiophene rings by Stille or Suzuki coupling reaction","New Journal of Chemistry","2023","47","20","9555","9559","10.1039/D3NJ01299A","","x-ray","0.71073","MoKα","","0.0994","0.0664","","","0.1488","0.1642","","","","","","1.049","","","","has coordinates","284301","2023-06-05","04:45:56",""
"7062460","11.6718","0.0005","13.6174","0.0007","15.3876","0.0007","66.911","0.001","82.288","0.001","67.669","0.001","2080.75","0.17","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H36 Cu N4 -","- C60 H36 Cu N4 -","- C120 H72 Cu2 N8 -","2","1","","Arif, Waseem; Kumar, Ravi","Regioselective 2,3-disubstituted porphyrins: synthesis, spectral, structural and electrochemical properties","New Journal of Chemistry","2023","47","22","10541","10551","10.1039/D3NJ01288C","","","0.71073","MoKα","","0.0491","0.0439","","","0.1109","0.1143","","","","","","1.05","","","","has coordinates","284935","2023-07-05","10:31:43",""
"7062461","13.9752","0.0018","18.392","0.003","14.596","0.002","90","","116.631","0.004","90","","3353.6","0.8","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","1","","Arif, Waseem; Kumar, Ravi","Regioselective 2,3-disubstituted porphyrins: synthesis, spectral, structural and electrochemical properties","New Journal of Chemistry","2023","47","22","10541","10551","10.1039/D3NJ01288C","","","0.71073","MoKα","","0.0744","0.0507","","","0.1158","0.1309","","","","","","1.039","","","","has coordinates","284935","2023-07-05","10:31:59",""
"7062462","10.0472","0.0008","16.5358","0.0013","10.2478","0.0009","90","","114.133","0.002","90","","1553.7","0.2","296","2","296.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H27 N4 O10 Zn -","- C35 H27 N4 O10 Zn -","- C70 H54 N8 O20 Zn2 -","2","0.5","","Geng, Jun; Sun, Jiaxin; Lin, Hongyan; Wang, Xiuli","Metal-regulated d10 coordination polymers constructed from bis(pyridyl)-bis(amide) ligands with different spacers as high-efficiency fluorescence sensors for identifying chlortetracycline and furaltadone","New Journal of Chemistry","2023","47","20","9701","9707","10.1039/D3NJ01538F","","","0.71073","MoKα","","0.1044","0.0534","","","0.1091","0.1256","","","","","","1.032","","","","has coordinates","284298","2023-06-05","04:45:25",""
"7062463","10.1601","0.0006","10.4066","0.0006","11.9731","0.0007","90.139","0.001","104.772","0.001","117.623","0.001","1073.77","0.11","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cd3 N4 O20 -","- C44 H38 Cd3 N4 O20 -","- C44 H38 Cd3 N4 O20 -","1","0.5","","Geng, Jun; Sun, Jiaxin; Lin, Hongyan; Wang, Xiuli","Metal-regulated d10 coordination polymers constructed from bis(pyridyl)-bis(amide) ligands with different spacers as high-efficiency fluorescence sensors for identifying chlortetracycline and furaltadone","New Journal of Chemistry","2023","47","20","9701","9707","10.1039/D3NJ01538F","","","0.71073","MoKα","","0.0496","0.034","","","0.0678","0.0737","","","","","","1.012","","","","has coordinates","284298","2023-06-05","04:45:25",""
"7062464","10.125","0.0013","10.3341","0.0013","11.9716","0.0015","89.86","0.002","74.582","0.002","62.649","0.002","1062","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cd3 N6 O20 -","- C42 H36 Cd3 N6 O20 -","- C42 H36 Cd3 N6 O20 -","1","0.5","","Geng, Jun; Sun, Jiaxin; Lin, Hongyan; Wang, Xiuli","Metal-regulated d10 coordination polymers constructed from bis(pyridyl)-bis(amide) ligands with different spacers as high-efficiency fluorescence sensors for identifying chlortetracycline and furaltadone","New Journal of Chemistry","2023","47","20","9701","9707","10.1039/D3NJ01538F","","","0.71073","MoKα","","0.0398","0.029","","","0.0614","0.0656","","","","","","1.034","","","","has coordinates","284298","2023-06-05","04:45:25",""
"7062465","7.9826","0.0003","7.9826","0.0003","17.5851","0.0009","90","","90","","90","","1120.56","0.08","273.15","","273.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C48 H40 Co4 N8 O16 -","4","0.5","","Ladhi, Ritu; Rani, Deepika; Singh, Monika","Multifunctional cobalt metal–organic framework luminescent probe for the efficient sensing of Cr2O72−, MnO4− and nucleobases","New Journal of Chemistry","2023","47","20","9714","9720","10.1039/D3NJ00719G","","","0.71073","MoKα","","0.0151","0.0147","","","0.0381","0.0385","","","","","","1.0626","","","","has coordinates","284302","2023-06-05","04:46:02",""
"7062466","16.4531","0.0006","16.4531","0.0006","20.2962","0.0013","90","","90","","120","","4758.2","0.4","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H63 Cl9 Co8 N36 O22 -","- C36 H63 Cl9 Co8 N36 O22 -","- C72 H126 Cl18 Co16 N72 O44 -","2","0.166667","","Mahmudov, Ibadulla; Gurbanov, Atash V.; Martins, Luísa M. D. R. S.; Abdullayev, Yusif; Sujayev, Afsun; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Co(ii/iii), Ni(ii) and Cu(ii) complexes with a pyrazole-functionalized 1,3,5-triazopentadiene: synthesis, structure and application in the oxidation of styrene to benzaldehyde","New Journal of Chemistry","2023","47","22","10826","10833","10.1039/D3NJ01120H","","","0.71073","MoKα","","0.0904","0.0666","","","0.1677","0.1819","","","","","","1.103","","","","has coordinates,has disorder","284932","2023-07-05","10:30:56",""
"7062467","12.2955","0.0008","4.9045","0.0003","13.1699","0.0009","90","","116.167","0.002","90","","712.79","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N12 Ni -","- C10 H14 N12 Ni -","- C20 H28 N24 Ni2 -","2","0.5","","Mahmudov, Ibadulla; Gurbanov, Atash V.; Martins, Luísa M. D. R. S.; Abdullayev, Yusif; Sujayev, Afsun; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Co(ii/iii), Ni(ii) and Cu(ii) complexes with a pyrazole-functionalized 1,3,5-triazopentadiene: synthesis, structure and application in the oxidation of styrene to benzaldehyde","New Journal of Chemistry","2023","47","22","10826","10833","10.1039/D3NJ01120H","","","0.71073","MoKα","","0.0239","0.0205","","","0.0473","0.05","","","","","","1.071","","","","has coordinates","284932","2023-07-05","10:30:57",""
"7062468","24.4255","0.0004","8.7187","0.0001","13.6691","0.0003","90","","123.798","0.001","90","","2419.01","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H11 Cl3 Cu N6 O -","- C5 H11 Cl3 Cu N6 O -","- C40 H88 Cl24 Cu8 N48 O8 -","8","1","","Mahmudov, Ibadulla; Gurbanov, Atash V.; Martins, Luísa M. D. R. S.; Abdullayev, Yusif; Sujayev, Afsun; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Co(ii/iii), Ni(ii) and Cu(ii) complexes with a pyrazole-functionalized 1,3,5-triazopentadiene: synthesis, structure and application in the oxidation of styrene to benzaldehyde","New Journal of Chemistry","2023","47","22","10826","10833","10.1039/D3NJ01120H","","","0.71073","MoKα","","0.0174","0.0167","","","0.0461","0.0466","","","","","","1.104","","","","has coordinates","284932","2023-07-05","10:30:57",""
"7062469","8.1733","0.0004","9.3238","0.0005","15.0254","0.0008","76.085","0.002","77.688","0.002","80.873","0.002","1078.89","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Cu N12 -","- C10 H14 Cu N12 -","- C30 H42 Cu3 N36 -","3","1.5","","Mahmudov, Ibadulla; Gurbanov, Atash V.; Martins, Luísa M. D. R. S.; Abdullayev, Yusif; Sujayev, Afsun; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Co(ii/iii), Ni(ii) and Cu(ii) complexes with a pyrazole-functionalized 1,3,5-triazopentadiene: synthesis, structure and application in the oxidation of styrene to benzaldehyde","New Journal of Chemistry","2023","47","22","10826","10833","10.1039/D3NJ01120H","","","0.71073","MoKα","","0.0286","0.0259","","","0.0684","0.0699","","","","","","1.056","","","","has coordinates","284932","2023-07-05","10:30:57",""
"7062470","15.713","0.0007","7.4629","0.0004","7.3933","0.0004","90","","99.33","0.02","90","","855.5","0.09","300","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","iron 3-Hydroxy pyridine tetracyanoplatinum(ii)","","- C14 Fe N6 O2 Pt -","- C14 Fe N6 O2 Pt -","- C28 Fe2 N12 O4 Pt2 -","2","0.25","","Avila, Y.; Pérez, O.; Sánchez, L.; Vázquez, M. C.; Mojica, R.; González, M.; Ávila, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin crossover in Hofmann-like coordination polymers. Effect of the axial ligand substituent and its position","New Journal of Chemistry","2023","47","22","10781","10795","10.1039/D3NJ01498C","","","","","","","","","","","","","","","","","","","","","has coordinates","284933","2023-07-05","10:31:08",""
"7062471","15.7521","0.0008","7.4646","0.0004","7.4189","0.0004","90","","99.64","0.02","90","","860.02","0.09","300","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","iron 3-Hydroxy pyridine tetracyanopalladate(ii)","","- C14 Fe N6 O2 Pd -","- C14 Fe N6 O2 Pd -","- C28 Fe2 N12 O4 Pd2 -","2","0.25","","Avila, Y.; Pérez, O.; Sánchez, L.; Vázquez, M. C.; Mojica, R.; González, M.; Ávila, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin crossover in Hofmann-like coordination polymers. Effect of the axial ligand substituent and its position","New Journal of Chemistry","2023","47","22","10781","10795","10.1039/D3NJ01498C","","","","","","","","","","","","","","","","","","","","","has coordinates","284933","2023-07-05","10:31:11",""
"7062472","15.7988","0.0002","7.2962","0.0005","7.2162","0.0005","90","","101.11","0.02","90","","816.23","0.1","300","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","iron 3-Hydroxy pyridine tetracyanonickelate (II)","","- C14 Fe N6 Ni O2 -","- C14 Fe N6 Ni O2 -","- C28 Fe2 N12 Ni2 O4 -","2","0.25","","Avila, Y.; Pérez, O.; Sánchez, L.; Vázquez, M. C.; Mojica, R.; González, M.; Ávila, M.; Rodríguez-Hernández, J.; Reguera, E.","Spin crossover in Hofmann-like coordination polymers. Effect of the axial ligand substituent and its position","New Journal of Chemistry","2023","47","22","10781","10795","10.1039/D3NJ01498C","","","","","","","","","","","","","","","","","","","","","has coordinates","284933","2023-07-05","10:31:14",""
"7062473","7.85","0.002","10.152","0.003","10.835","0.003","108.912","0.007","101.164","0.006","96.073","0.006","788.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 F2 N3 O2 -","- C17 H17 F2 N3 O2 -","- C34 H34 F4 N6 O4 -","2","1","","Zhao, Wei; Xuan, Liangming; Liu, Yang; Yin, Jiayi; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Huang, Jin; Chen, Fener","Photoinduced tandem radical cyclization/heteroarylation of N-allylbromodifluoroacetamides with quinoxalin-2(1H)-ones or coumarins under metal- and photocatalyst-free conditions","New Journal of Chemistry","2023","47","22","10744","10750","10.1039/D3NJ01329D","","","0.71073","MoKα","","0.1407","0.069","","","0.177","0.2173","","","","","","1.002","","","","has coordinates","284936","2023-07-05","10:32:12",""
"7062474","22.1519","0.0013","11.7439","0.0007","14.6586","0.0007","90","","90","","90","","3813.4","0.4","120","","120","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H30 Cl2 Fe N10 O8 -","- C42 H30 Cl2 Fe N10 O8 -","- C168 H120 Cl8 Fe4 N40 O32 -","4","0.5","","Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan","Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands","New Journal of Chemistry","2023","47","23","10967","10972","10.1039/D3NJ01431B","","","0.71073","MoKα","","0.0784","0.0508","","","0.1095","0.1235","","","","","","1.035","","","","has coordinates,has disorder","284949","2023-07-05","10:40:35",""
"7062475","22.6912","0.0018","11.9055","0.001","14.9444","0.0018","90","","90","","90","","4037.2","0.7","399.99","0.1","399.99","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H30 Cl2 Fe N10 O8 -","- C42 H30 Cl2 Fe N10 O8 -","- C168 H120 Cl8 Fe4 N40 O32 -","4","0.5","","Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan","Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands","New Journal of Chemistry","2023","47","23","10967","10972","10.1039/D3NJ01431B","","x-ray","0.71073","MoKα","","0.213","0.103","","","0.1437","0.1805","","","","","","1.086","","","","has coordinates,has disorder","284949","2023-07-05","10:40:54",""
"7062476","13.5982","0.0006","14.4074","0.0007","17.2229","0.0008","96.619","0.002","102.049","0.001","113.55","0.002","2949.8","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C60.62 H43.26 Cl7.26 Fe N10 O8 -","- C60.627 H43.254 Cl7.254 Fe N10 O8 -","- C121.254 H86.508 Cl14.508 Fe2 N20 O16 -","2","1","","Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan","Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands","New Journal of Chemistry","2023","47","23","10967","10972","10.1039/D3NJ01431B","","","0.71073","MoKα","","0.0594","0.0486","","","0.1275","0.1359","","","","","","1.031","","","","has coordinates,has disorder","284949","2023-07-05","10:41:00",""
"7062477","43.4528","0.0012","11.8801","0.0003","8.1619","0.0002","90","","90","","90","","4213.37","0.19","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H39 Cl N5 O5 Pt Re -","- C45 H39 Cl N5 O5 Pt Re -","- C180 H156 Cl4 N20 O20 Pt4 Re4 -","4","1","","Wang, Nan; Zhou, Qing-Dong; Jia, Zhiyu","Bimetallic Re(i)/Pt(ii)/Pd(ii) complexes: study of synthesis and properties","New Journal of Chemistry","2023","47","23","11210","11215","10.1039/D3NJ00965C","","","0.71073","MoKα","","0.1346","0.0747","","","0.1463","0.1713","","","","","","1.035","","","","has coordinates","284946","2023-07-05","10:37:35",""
"7062478","14.2355","0.0007","20.1323","0.0006","23.7245","0.0006","82.264","0.002","78.91","0.003","89.961","0.003","6609.4","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C336 H240 S24 -","- C336 H240 S24 -","- C336 H240 S24 -","1","1","","Li, Tianwei; Gan, Luqing; Li, Lin; Zhen, Shijie","Tuning multichannel conductance via through-space conjugated naphthalene","New Journal of Chemistry","2023","47","21","9998","10002","10.1039/D3NJ01074K","","","1.54178","CuKα","","0.2595","0.1945","","","0.5174","0.5525","","","","","","1.747","","","","has coordinates","284308","2023-06-05","04:48:28",""
"7062479","11.3702","0.0003","11.9984","0.0004","12.4292","0.0004","70.862","0.001","73.95","0.001","84.328","0.001","1539.42","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H80 N2 O24 P2 Ti6 -","- C42 H80 N2 O24 P2 Ti6 -","- C42 H80 N2 O24 P2 Ti6 -","1","0.5","","Meng, Min; Liao, Lingrong; Zheng, Qi; Xuan, Weimin","Ligand-directed structure evolution from a titanium-oxo cluster to coordination capsule and one-dimensional coordination polymer based on {Ti3O} units","New Journal of Chemistry","2023","47","23","11312","11317","10.1039/D3NJ01172K","","","0.71073","MoKα","","0.0236","0.0221","","","0.0631","0.0637","","","","","","1.062","","","","has coordinates,has disorder","284948","2023-07-05","10:38:37",""
"7062480","12.0582","0.0006","12.1208","0.0007","14.345","0.0009","112.778","0.002","94.618","0.002","110.303","0.002","1756.13","0.18","149.98","","149.98","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H45 N2 O12 P Ti3 -","- C28 H45 N2 O12 P Ti3 -","- C56 H90 N4 O24 P2 Ti6 -","2","1","","Meng, Min; Liao, Lingrong; Zheng, Qi; Xuan, Weimin","Ligand-directed structure evolution from a titanium-oxo cluster to coordination capsule and one-dimensional coordination polymer based on {Ti3O} units","New Journal of Chemistry","2023","47","23","11312","11317","10.1039/D3NJ01172K","","","0.71073","MoKα","","0.0376","0.0328","","","0.0893","0.0932","","","","","","1.048","","","","has coordinates,has disorder","284948","2023-07-05","10:38:50",""
"7062481","9.8651","0.0005","20.8697","0.0009","17.8564","0.0008","90","","105.759","0.002","90","","3538.1","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H90 N4 O24 P2 Ti6 -","- C56 H90 N4 O24 P2 Ti6 -","- C112 H180 N8 O48 P4 Ti12 -","2","0.5","","Meng, Min; Liao, Lingrong; Zheng, Qi; Xuan, Weimin","Ligand-directed structure evolution from a titanium-oxo cluster to coordination capsule and one-dimensional coordination polymer based on {Ti3O} units","New Journal of Chemistry","2023","47","23","11312","11317","10.1039/D3NJ01172K","","","0.71073","MoKα","","0.0442","0.0362","","","0.0938","0.1012","","","","","","1.039","","","","has coordinates,has disorder","284948","2023-07-05","10:39:10",""
"7062482","27.5953","0.0007","19.5028","0.0005","47.0477","0.0012","90","","92.516","0.001","90","","25296","1.1","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C168 H350.5 Cl3 Cu3 N6 O85.25 P6 Ti18 -","- C162 H324 Cl3 Cu3 N6 O78 P6 Ti18 -","- C648 H1296 Cl12 Cu12 N24 O312 P24 Ti72 -","4","0.5","","Meng, Min; Liao, Lingrong; Zheng, Qi; Xuan, Weimin","Ligand-directed structure evolution from a titanium-oxo cluster to coordination capsule and one-dimensional coordination polymer based on {Ti3O} units","New Journal of Chemistry","2023","47","23","11312","11317","10.1039/D3NJ01172K","","","1.54184","CuKα","","0.1103","0.0986","","","0.2821","0.294","","","","","","1.074","","","","has coordinates,has disorder","284948","2023-07-05","10:39:30",""
"7062483","14.6399","0.0008","13.9674","0.0005","17.194","0.0016","90","","114.285","0.005","90","","3204.7","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Co N8 O2 S4 -","- C28 H32 Co N8 O2 S4 -","- C112 H128 Co4 N32 O8 S16 -","4","0.5","","Tupolova, Yulia P.; Lebedev, Vladimir E.; Korchagin, Denis V.; Tkachev, Valery V.; Utenyshev, Andrey N.; Morgunov, Roman B.; Palii, Andrei V.; Shcherbakov, Igor N.; Aldoshin, Sergey M.","Hexacoordinated Co(ii) complex exhibiting strong magnetic anisotropy and field-induced slow magnetization relaxation: synthesis, magnetic characterization, and quantum-chemical modelling","New Journal of Chemistry","2023","47","22","10884","10891","10.1039/D3NJ01481A","","","0.71073","MoKα","","0.0486","0.0431","","","0.0885","0.0906","","","","","","1.191","","","","has coordinates,has disorder","284938","2023-07-05","10:33:32",""
"7062484","16.0798","0.0012","16.0798","0.0012","22.355","0.003","90","","90","","120","","5005.7","0.9","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C56 H34 I8 N10 Ni3 O6 -","- C56 H34 I8 N10 Ni3 O6 -","- C168 H102 I24 N30 Ni9 O18 -","3","0.5","","Kumar, Sunil; Choudhary, Mukesh","A phenoxy-bridged trinuclear Ni(ii) complex: synthesis, structural elucidation and molecular docking with viral proteins","New Journal of Chemistry","2023","47","21","10424","10445","10.1039/D3NJ01351K","","","1.54178","CuKα","","0.0668","0.0545","","","0.1106","0.1218","","","","","","1.12","","","","has coordinates","284289","2023-06-05","04:40:26",""
"7062485","5.65","0.003","12.577","0.006","20.32","0.01","87.21","0.01","83.78","0.01","89.06","0.01","1433.6","1.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N3 O2 -","- C33 H35 N3 O2 -","- C66 H70 N6 O4 -","2","1","","Manjunathan, Tamilvelan; Guru, Ajay; Haridevamuthu, B.; Dandela, Rambabu; Arokiaraj, Jesu; Gopinath, Pushparathinam","6-Gingerol-derived semisynthetic analogs mitigate oxidative stress, and reverse acrylamide induced neurotoxicity in zebrafish","New Journal of Chemistry","2023","47","22","10488","10492","10.1039/D3NJ01004J","","","0.71073","MoKα","","0.2169","0.0929","","","0.2202","0.2753","","","","","","1.178","","","","has coordinates","284934","2023-07-05","10:31:24",""
"7062486","16.0809","0.0002","9.8433","0.0001","31.2561","0.0003","90","","104.955","0.001","90","","4779.92","0.09","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 B N3 O2 -","- C30 H22 B N3 O2 -","- C240 H176 B8 N24 O16 -","8","1","","Dutta, Kartik; Agrawal, Richa; Wadawale, A. P.; Gamre, Sunita; Mula, Soumyaditya","Synthesis of dual state emissive β-carboline boron complexes","New Journal of Chemistry","2023","47","24","11371","11375","10.1039/D3NJ01607B","","x-ray","1.54184","CuKα","","0.0824","0.0645","","","0.2004","0.2299","","","","","","1.06","","","","has coordinates","284927","2023-07-05","10:28:55",""
"7062487","26.325","0.004","8.6403","0.0014","22.014","0.004","90","","117.94","0.002","90","","4423.6","1.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N7 O2 -","- C24 H21 N7 O2 -","- C192 H168 N56 O16 -","8","1","","Tapera, Michael; Kekeçmuhammed, Hüseyin; Tunc, Cansu Umran; Kutlu, Aybuke Ulku; Çelik, İsmail; Zorlu, Yunus; Aydin, Omer; Sarıpınar, Emin","Design, synthesis, molecular docking and biological evaluation of 1,2,4-triazole derivatives possessing a hydrazone moiety as anti-breast cancer agents","New Journal of Chemistry","2023","47","24","11602","11614","10.1039/D3NJ01320K","","","0.71073","MoKα","","0.0939","0.0528","","","0.1299","0.146","","","","","","1.06","","","","has coordinates","284929","2023-07-05","10:29:17",""
"7062488","13.5754","0.0008","12.9309","0.0007","19.9574","0.0011","90","","101.121","0.002","90","","3437.6","0.3","0","","0","","","","","","","","","5","P 1 21 1","P 2yb","4","ABPT-CH3","","","- C84 H64 N8 O4 S4 -","- C84 H64 N8 O4 S4 -","- C168 H128 N16 O8 S8 -","2","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","","0.71073","MoKα","","0.3047","0.0722","","","0.1004","0.1623","","","","","","0.919","","","","has coordinates","284937","2023-07-05","10:32:37",""
"7062489","10.779","0.004","12.613","0.004","13.596","0.004","90","","110.29","0.013","90","","1733.8","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 S -","- C21 H16 N2 O2 S -","- C84 H64 N8 O8 S4 -","4","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0503","0.0385","","","0.0953","0.1024","","","","","","1.049","","","","has coordinates","284937","2023-07-05","10:32:41",""
"7062490","10.5645","0.0013","17.13","0.003","10.1453","0.0014","90","","105.873","0.005","90","","1766","0.5","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13.25 Cl N2 O1.12 Pd S -","- C20 H13.25 Cl N2 O1.125 Pd S -","- C80 H53 Cl4 N8 O4.5 Pd4 S4 -","4","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0328","0.025","","","0.0555","0.0593","","","","","","1.059","","","","has coordinates","284937","2023-07-05","10:32:45",""
"7062491","13.096","0.001","10.9779","0.0009","25.673","0.002","90","","90","","90","","3690.9","0.5","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H30 Cl2 N4 O2 Pd2 S2 -","- C42 H30 Cl2 N4 O2 Pd2 S2 -","- C168 H120 Cl8 N16 O8 Pd8 S8 -","4","0.5","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0698","0.0654","","","0.1695","0.1721","","","","","","1.108","","","","has coordinates","284937","2023-07-05","10:33:02",""
"7062492","12.4974","0.0003","11.1274","0.0003","25.9429","0.0008","90","","90","","90","","3607.71","0.17","296","","296","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H11 Cl F2 N2 O Pd S -","- C20 H11 Cl F2 N2 O Pd S -","- C160 H88 Cl8 F16 N16 O8 Pd8 S8 -","8","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0357","0.0299","","","0.0619","0.0643","","","","","","1.154","","","","has coordinates","284937","2023-07-05","10:33:07",""
"7062493","12.996","0.002","10.9433","0.0015","26.809","0.004","90","","90","","90","","3812.8","1","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Cl N2 O2 Pd S -","- C21 H15 Cl N2 O2 Pd S -","- C168 H120 Cl8 N16 O16 Pd8 S8 -","8","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.037","","","0.0749","0.0771","","","","","","1.236","","","","has coordinates","284937","2023-07-05","10:33:19",""
"7062494","9.7662","0.0002","12.801","0.0001","28.8216","0.0003","90","","90","","90","","3603.19","0.09","94.97","0.11","94.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bis(flufenamato)neocuproinemanganese(II)","","- C42 H30 F6 Mn N4 O4 -","- C42 H30 F6 Mn N4 O4 -","- C168 H120 F24 Mn4 N16 O16 -","4","1","","Klepcová, Zuzana; Špaková, Ivana; Madreiter-Sokolowski, Corina T.; Graier, Wolfgang; Kalinová, Katarína; Samoľová, Erika; Smolková, Romana; Smolko, Lukáš; Rabajdová, Miroslava","Investigation of novel Mn(ii) fenamato complexes with neocuproine and their effects on endometrial cell lines","New Journal of Chemistry","2023","47","28","13088","13097","10.1039/D3NJ00412K","","x-ray","1.54184","CuKα","","0.0469","0.042","","","0.0913","0.0923","","","","2.46","2.46","2.38","","","","has coordinates","285482","2023-08-05","09:17:59",""
"7062495","9.6882","0.0002","13.2014","0.0002","25.3636","0.0004","90","","90","","90","","3243.95","0.1","95","0.1","95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Mn N4 O4 -","- C40 H32 Mn N4 O4 -","- C160 H128 Mn4 N16 O16 -","4","1","","Klepcová, Zuzana; Špaková, Ivana; Madreiter-Sokolowski, Corina T.; Graier, Wolfgang; Kalinová, Katarína; Samoľová, Erika; Smolková, Romana; Smolko, Lukáš; Rabajdová, Miroslava","Investigation of novel Mn(ii) fenamato complexes with neocuproine and their effects on endometrial cell lines","New Journal of Chemistry","2023","47","28","13088","13097","10.1039/D3NJ00412K","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0656","0.0686","","","","1.934","1.934","1.966","","","","has coordinates","285482","2023-08-05","09:18:09",""
"7062496","11.3563","0.0004","6.0912","0.0002","22.4406","0.001","90","","98.129","0.001","90","","1536.7","0.1","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Monoiodo_diarylcyanostilbene","","- C17 H15 I N2 -","- C17 H15 I N2 -","- C68 H60 I4 N8 -","4","1","","Dahiwadkar, Rahul; Dubey, Gurudutt; Shaik, Althaf; Jana, Palash; Thiruvenkatam, Vijay; Kanvah, Sriram","Halogen-bonded co-crystals with AIE-active α-cyanostilbenes","New Journal of Chemistry","2023","47","24","11685","11696","10.1039/D3NJ00333G","","","0.71073","MoKα","","0.039","0.0338","","","0.0914","0.0957","","","","","","1.031","","","","has coordinates","284930","2023-07-05","10:29:46",""
"7062497","11.82","0.003","6.132","0.0014","22.01","0.005","90","","104.353","0.004","90","","1545.5","0.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C35 H34 Cl2 I N5 -","- C35 H34 Cl2 I N5 -","- C70 H68 Cl4 I2 N10 -","2","1","","Dahiwadkar, Rahul; Dubey, Gurudutt; Shaik, Althaf; Jana, Palash; Thiruvenkatam, Vijay; Kanvah, Sriram","Halogen-bonded co-crystals with AIE-active α-cyanostilbenes","New Journal of Chemistry","2023","47","24","11685","11696","10.1039/D3NJ00333G","","","0.71073","MoKα","","0.0936","0.0932","","","0.2167","0.2175","","","","","","1.731","","","","has coordinates","284930","2023-07-05","10:29:46",""
"7062498","26.328","0.002","26.825","0.003","8.2403","0.0007","90","","93.478","0.002","90","","5809","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diiodo cyanostilbene","","- C15 H9 I2 N -","- C15 H9 I2 N -","- C240 H144 I32 N16 -","16","4","","Dahiwadkar, Rahul; Dubey, Gurudutt; Shaik, Althaf; Jana, Palash; Thiruvenkatam, Vijay; Kanvah, Sriram","Halogen-bonded co-crystals with AIE-active α-cyanostilbenes","New Journal of Chemistry","2023","47","24","11685","11696","10.1039/D3NJ00333G","","","0.71073","MoKα","","0.1579","0.0869","","","0.1965","0.2379","","","","","","1.012","","","","has coordinates,has disorder","284930","2023-07-05","10:29:46",""
"7062499","22.2059","0.0005","10.1482","0.0002","8.5616","0.0002","90","","90","","90","","1929.36","0.07","150.15","","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H21 Cl N4 Ni -","- C22 H21 Cl N4 Ni -","- C88 H84 Cl4 N16 Ni4 -","4","1","","Cao, Shaobo; Xie, Shangqing; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis of [CNN] pincer nickel(ii) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions","New Journal of Chemistry","2023","47","26","12229","12238","10.1039/D3NJ01375H","","x-ray","1.34143","GaKα","","0.0271","0.0263","","","0.0713","0.0718","","","","","","1.043","","","","has coordinates","284942","2023-07-05","10:35:03",""
"7062500","8.3434","0.0002","14.2256","0.0004","17.7157","0.0004","90","","90","","90","","2102.67","0.09","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Br0.11 Cl0.89 N4 Ni -","- C23 H27 Br0.106 Cl0.894 N4 Ni -","- C92 H108 Br0.424 Cl3.576 N16 Ni4 -","4","1","","Cao, Shaobo; Xie, Shangqing; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis of [CNN] pincer nickel(ii) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions","New Journal of Chemistry","2023","47","26","12229","12238","10.1039/D3NJ01375H","","","1.54184","CuKα","","0.0486","0.0401","","","0.0928","0.0971","","","","","","0.987","","","","has coordinates,has disorder","284942","2023-07-05","10:35:07",""
"7062501","7.8582","0.0003","24.1174","0.0012","17.5914","0.0006","90","","95.976","0.003","90","","3315.8","0.2","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br0.08 Cl0.95 N4 Ni0.96 -","- C19 H15 Br0.075 Cl0.9465 N4 Ni0.9615 -","- C152 H120 Br0.6 Cl7.572 N32 Ni7.692 -","8","2","","Cao, Shaobo; Xie, Shangqing; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis of [CNN] pincer nickel(ii) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions","New Journal of Chemistry","2023","47","26","12229","12238","10.1039/D3NJ01375H","","","1.34143","GaKα","","0.063","0.0546","","","0.1474","0.1545","","","","","","1.062","","","","has coordinates,has disorder","284942","2023-07-05","10:35:17",""
"7062502","10.9001","0.0008","10.8846","0.0008","13.6953","0.001","90","","108.552","0.001","90","","1540.4","0.2","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H22.5 Cu2 N4 O8.25 -","- C34 H22 Cu2 N4 O8 -","- C68 H44 Cu4 N8 O16 -","2","0.5","","Yan, Mei-Hua; Wang, Jun; Su, Xiao-Yong; Sakiyama, Hiroshi; Qi, Na; Afzal, Mohd; Alarifi, Abdullah; Srivastava, Devyani; Kumar, Abhinav","A 3D paddle-wheel type Cu(ii)-based MOF with pcu topology as an efficient photocatalyst for antibiotics photodegradation","New Journal of Chemistry","2023","47","23","11134","11142","10.1039/D3NJ01644G","","","0.71073","MoKα","","0.0398","0.0293","","","0.0702","0.0753","","","","","","1.0332","","","","has coordinates,has disorder","284947","2023-07-05","10:37:46",""
"7062503","10.5118","0.0004","11.5157","0.0004","13.0702","0.0005","107.097","0.001","110.452","0.001","94.15","0.001","1389.57","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17.58 N3 O2.29 Sn -","- C12 H17.579 N3 O2.2895 Sn -","- C48 H70.316 N12 O9.158 Sn4 -","4","2","","Krylova, Irina V.; Labutskaya, Liliya D.; Markova, Mariya O.; Balycheva, Victoriya A.; Shangin, Pavel G.; Akyeva, Anna Ya.; Golovina, Victoriya V.; Minyaev, Mikhail E.; Lalov, Andrey V.; Pechennikov, Valery M.; Novikov, Vasiliy T.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Derivatives of penta-, hexa-, and hepta-coordinated tin with Schiff bases and 1,10-phenanthroline: structure, redox and optoelectronic properties","New Journal of Chemistry","2023","47","25","11890","11902","10.1039/D3NJ01993D","","","0.71073","MoKα","","0.0425","0.0406","","","0.0978","0.0988","","","","","","1.233","","","","has coordinates,has disorder","284945","2023-07-05","10:36:28",""
"7062504","8.9435","0.0003","15.3162","0.0006","14.8791","0.0006","90","","97.794","0.004","90","","2019.32","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N3 O2 Sn -","- C23 H23 N3 O2 Sn -","- C92 H92 N12 O8 Sn4 -","4","1","","Krylova, Irina V.; Labutskaya, Liliya D.; Markova, Mariya O.; Balycheva, Victoriya A.; Shangin, Pavel G.; Akyeva, Anna Ya.; Golovina, Victoriya V.; Minyaev, Mikhail E.; Lalov, Andrey V.; Pechennikov, Valery M.; Novikov, Vasiliy T.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Derivatives of penta-, hexa-, and hepta-coordinated tin with Schiff bases and 1,10-phenanthroline: structure, redox and optoelectronic properties","New Journal of Chemistry","2023","47","25","11890","11902","10.1039/D3NJ01993D","","x-ray","1.54184","CuKα","","0.0359","0.0326","","","0.0888","0.0911","","","","","","1.066","","","","has coordinates","284945","2023-07-05","10:36:38",""
"7062505","10.45872","0.00009","10.81132","0.00008","18.91626","0.00017","78.4367","0.0007","76.9185","0.0007","88.6387","0.0006","2040.59","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 O2 Sn -","- C24 H24 N2 O2 Sn -","- C96 H96 N8 O8 Sn4 -","4","2","","Krylova, Irina V.; Labutskaya, Liliya D.; Markova, Mariya O.; Balycheva, Victoriya A.; Shangin, Pavel G.; Akyeva, Anna Ya.; Golovina, Victoriya V.; Minyaev, Mikhail E.; Lalov, Andrey V.; Pechennikov, Valery M.; Novikov, Vasiliy T.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Derivatives of penta-, hexa-, and hepta-coordinated tin with Schiff bases and 1,10-phenanthroline: structure, redox and optoelectronic properties","New Journal of Chemistry","2023","47","25","11890","11902","10.1039/D3NJ01993D","","x-ray","0.71073","MoKα","","0.0303","0.027","","","0.0901","0.0937","","","","","","1.105","","","","has coordinates","284945","2023-07-05","10:36:42",""
"7062506","10.43938","0.00008","10.61993","0.00006","15.96529","0.0001","107.106","0.0005","90.6022","0.0006","91.1542","0.0005","1691.1","0.02","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H37 N7 O2 S Sn -","- C37 H37 N7 O2 S Sn -","- C74 H74 N14 O4 S2 Sn2 -","2","1","","Krylova, Irina V.; Labutskaya, Liliya D.; Markova, Mariya O.; Balycheva, Victoriya A.; Shangin, Pavel G.; Akyeva, Anna Ya.; Golovina, Victoriya V.; Minyaev, Mikhail E.; Lalov, Andrey V.; Pechennikov, Valery M.; Novikov, Vasiliy T.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Derivatives of penta-, hexa-, and hepta-coordinated tin with Schiff bases and 1,10-phenanthroline: structure, redox and optoelectronic properties","New Journal of Chemistry","2023","47","25","11890","11902","10.1039/D3NJ01993D","","x-ray","1.54184","CuKα","","0.0421","0.0421","","","0.1129","0.113","","","","","","1.079","","","","has coordinates,has disorder","284945","2023-07-05","10:36:44",""
"7062507","9.5849","0.0002","11.1754","0.0002","12.8127","0.0003","106.398","0.001","91.301","0.001","112.718","0.001","1200.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N5 O3 Sn -","- C25 H29 N5 O3 Sn -","- C50 H58 N10 O6 Sn2 -","2","1","","Krylova, Irina V.; Labutskaya, Liliya D.; Markova, Mariya O.; Balycheva, Victoriya A.; Shangin, Pavel G.; Akyeva, Anna Ya.; Golovina, Victoriya V.; Minyaev, Mikhail E.; Lalov, Andrey V.; Pechennikov, Valery M.; Novikov, Vasiliy T.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Derivatives of penta-, hexa-, and hepta-coordinated tin with Schiff bases and 1,10-phenanthroline: structure, redox and optoelectronic properties","New Journal of Chemistry","2023","47","25","11890","11902","10.1039/D3NJ01993D","","","0.71073","MoKα","","0.0159","0.0151","","","0.0412","0.0416","","","","","","1.135","","","","has coordinates","284945","2023-07-05","10:36:56",""
"7062508","7.6681","0.0005","12.2337","0.0008","13.8648","0.0008","90","","100.657","0.002","90","","1278.21","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methyl-3-phenyl-5H-[1,2,3]triazolo[1,5-a][3,1]benzoxazin-5-imine","","- C16 H12 N4 O -","- C16 H12 N4 O -","- C64 H48 N16 O4 -","4","1","","Kotovshchikov, Yury N.; Tatevosyan, Stepan S.; Latyshev, Gennadij V.; Kugusheva, Zoya R.; Lukashev, Nikolay V.; Beletskaya, Irina P.","Divergent cyclization of 2-(5-iodo-1,2,3-triazolyl)benzamides toward triazole-fused lactams and cyclic imidates","New Journal of Chemistry","2023","47","26","12239","12247","10.1039/D3NJ01264F","","x-ray","0.71073","MoKα","","0.072","0.0472","","","0.1076","0.1194","","","","","","1.031","","","","has coordinates","284943","2023-07-05","10:35:47",""
"7062509","9.6765","0.0005","13.7501","0.0006","10.5137","0.0005","90","","105.149","0.005","90","","1350.27","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Zhang, Mingshuai; Chen, Longkun; Liu, Donghan; Liu, Zhuoyuan; Huang, Jiuzhong; Li, Xiang; Yu, Fuchao","Rh(iii)-catalyzed cascade annulation reaction of N,N-dimethyl enaminones with iodonium ylides to give substituted isocoumarins","New Journal of Chemistry","2023","47","26","12274","12278","10.1039/D3NJ02073H","","","1.54184","CuKα","","0.0554","0.0456","","","0.1194","0.1286","","","","","","1.022","","","","has coordinates","284940","2023-07-05","10:34:26",""
"7062510","10.19","0.007","5.157","0.004","23.422","0.016","90","","102.01","0.02","90","","1203.9","1.5","124","2","124","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex 1","","- C24 H32 Cu N2 O8 -","- C24 H32 Cu N2 O8 -","- C48 H64 Cu2 N4 O16 -","2","0.5","","Roy, Bilash Chandra; Dutta, Biswarup; Basak, Dipmalya; Debnath, Surajit; Ray, Debashis; Mahapatra, Tufan Singha","Investigations on a mononuclear Cu(ii) Schiff base complex: theoretical calculations, catechol oxidase activity, and protein binding interaction analysis","New Journal of Chemistry","2023","47","25","11928","11944","10.1039/D3NJ01515G","","","0.71073","MoKα","","0.0808","0.0603","","","0.1379","0.1479","","","","","","1.056","","","","has coordinates,has disorder","284944","2023-07-05","10:36:12",""
"7062511","11.594","0.0005","12.6166","0.0005","22.3958","0.0009","90","","95.492","0.004","90","","3260.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl2 N2 Ru -","- C31 H40 Cl2 N2 Ru -","- C124 H160 Cl8 N8 Ru4 -","4","1","","Slimani, I.; Amri, Nasser; Mukhrish, Yousef E.; Gurbuz, Nevin; Özdemir, Ismail; Ghalla, Houcine; Özdemir, Namık; Mansour, Lamjed; Hamdi, Naceur","Synthesis, crystallographic structure, theoretical analysis, molecular docking studies, electronic properties and biological activity evaluation of ruthenium-complex bearing N-heterocyclic carbene ligand","New Journal of Chemistry","2023","47","24","11708","11722","10.1039/D3NJ01598J","","","0.71073","MoKα","","0.1846","0.0782","","","0.1369","0.1723","","","","","","0.962","","","","has coordinates,has disorder","284928","2023-07-05","10:29:07",""
"7062512","19.5807","0.0014","4.7294","0.0003","14.8063","0.001","90","","106.738","0.007","90","","1313.04","0.16","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl F N3 -","- C17 H11 Cl F N3 -","- C68 H44 Cl4 F4 N12 -","4","1","","Liu, Fu-Xiaomin; Chen, Weijie; Ma, Lei; Cheng, Kui; Zhou, Zhi; Yi, Wei","Assembly of fluorinated benzodiazepines via Rh(iii)-catalysed [5+2] annulation of N-benzo[d]imidazole indolines with 2,2-difluorovinyl tosylate","New Journal of Chemistry","2023","47","27","12589","12594","10.1039/D3NJ01544K","","x-ray","0.71073","MoKα","","0.0445","0.0361","","","0.0837","0.0897","","","","","","1.036","","","","has coordinates","285483","2023-08-05","09:18:26",""
"7062513","11.6045","0.001","8.9631","0.0008","13.1233","0.001","90","","99.803","0.007","90","","1345.1","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F2 N3 -","- C17 H13 F2 N3 -","- C68 H52 F8 N12 -","4","1","","Liu, Fu-Xiaomin; Chen, Weijie; Ma, Lei; Cheng, Kui; Zhou, Zhi; Yi, Wei","Assembly of fluorinated benzodiazepines via Rh(iii)-catalysed [5+2] annulation of N-benzo[d]imidazole indolines with 2,2-difluorovinyl tosylate","New Journal of Chemistry","2023","47","27","12589","12594","10.1039/D3NJ01544K","","x-ray","0.71073","MoKα","","0.0455","0.0387","","","0.0886","0.0936","","","","","","1.07","","","","has coordinates","285483","2023-08-05","09:18:26",""
"7062514","4.151","0.0003","32.66","0.002","15.7551","0.0013","90","","93.71","0.003","90","","2131.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C116 H80 N8 O4 -","4","1","","Wu, Dong-En; Guo, Qing-Hui","Evaluating the isomeric effects of donors on the structures and photophysical properties of donor–acceptor–π bridge–donor (D1–A–π–D2) prototype fluorophores","New Journal of Chemistry","2023","47","28","13409","13421","10.1039/D3NJ01845H","","","0.71073","MoKα","","0.1127","0.0574","","","0.1219","0.145","","","","","","1.005","","","","has coordinates","285476","2023-08-05","09:15:24",""
"7062515","11.021","0.006","7.962","0.004","15.851","0.008","90","","103.442","0.017","90","","1352.8","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Wu, Dong-En; Guo, Qing-Hui","Evaluating the isomeric effects of donors on the structures and photophysical properties of donor–acceptor–π bridge–donor (D1–A–π–D2) prototype fluorophores","New Journal of Chemistry","2023","47","28","13409","13421","10.1039/D3NJ01845H","","","0.71073","MoKα","","0.095","0.0536","","","0.1379","0.1586","","","","","","1.027","","","","has coordinates","285476","2023-08-05","09:15:24",""
"7062516","25.2179","0.0013","11.4889","0.0006","7.5967","0.0004","90","","95.619","0.002","90","","2190.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C116 H80 N8 O4 -","4","1","","Wu, Dong-En; Guo, Qing-Hui","Evaluating the isomeric effects of donors on the structures and photophysical properties of donor–acceptor–π bridge–donor (D1–A–π–D2) prototype fluorophores","New Journal of Chemistry","2023","47","28","13409","13421","10.1039/D3NJ01845H","","","0.71073","MoKα","","0.1549","0.0612","","","0.1099","0.1352","","","","","","1.005","","","","has coordinates","285476","2023-08-05","09:15:24",""
"7062517","9.6109","0.0005","10.007","0.0004","23.2959","0.0011","90","","91.533","0.002","90","","2239.71","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C116 H80 N8 O4 -","4","1","","Wu, Dong-En; Guo, Qing-Hui","Evaluating the isomeric effects of donors on the structures and photophysical properties of donor–acceptor–π bridge–donor (D1–A–π–D2) prototype fluorophores","New Journal of Chemistry","2023","47","28","13409","13421","10.1039/D3NJ01845H","","","0.71073","MoKα","","0.1455","0.0598","","","0.127","0.1531","","","","","","1.019","","","","has coordinates","285476","2023-08-05","09:15:24",""
"7062518","9.2178","0.0002","10.5693","0.0004","18.1416","0.0005","90","","94.955","0.002","90","","1760.85","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Huang, Junwei; Yue, Xuelin; Gao, Yijie; Feng, Yadong; Cui, Xiuling","Efficient synthesis of spirooxazine-pyrans via rhodium-catalyzed [3+3] cascade spiroannulation of benzoxazines with 1-diazonaphthalen-2(1H)-ones","New Journal of Chemistry","2023","47","30","14430","14435","10.1039/D3NJ01894F","","x-ray","1.54184","CuKα","","0.064","0.0479","","","0.1289","0.1473","","","","","","1.024","","","","has coordinates","285494","2023-08-05","09:21:05",""
"7062519","9.354","0.0011","14.3606","0.0018","37.141","0.005","90","","90","","90","","4989.1","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cyclohexa-amylose hydrate methane complex","","- C36.85 H67.95 O34.84 -","- C36.853 H67.959 O34.836 -","- C147.412 H271.836 O139.344 -","4","1","","Jessen, Cecilie Høgfeldt; Bendix, Jesper; Nannestad, Theis Brock; Bordallo, Heloisa N.; Pedersen, Martin Jæger; Pedersen, Christian Marcus; Bols, Mikael","Methane capture with α-cyclodextrins","New Journal of Chemistry","2023","47","31","14624","14629","10.1039/D3NJ01843A","","","0.71073","MoKα","","0.0644","0.0511","","","0.1326","0.1408","","","","","","1.043","","","","has coordinates,has disorder","286170","2023-09-05","20:09:54",""
"7062520","4.065","0.0001","11.0283","0.0002","32.1854","0.0006","90","","91.484","0.002","90","","1442.39","0.05","299.36","0.13","299.36","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-bis(4-pyridyl)ethene and 1,2,4,5-tetrachloro-3-iodobenzene cocrystal","","- C24 H12 Cl8 I2 N2 -","- C24 H12 Cl8 I2 N2 -","- C48 H24 Cl16 I4 N4 -","2","0.5","","Powell, Conrad J.; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Preference of halogen bonds over hydrogen bonds within a discrete three-component co-crystal that undergo a [2+2] cycloaddition reaction","New Journal of Chemistry","2023","47","28","13084","13087","10.1039/D3NJ02449K","","x-ray","1.54184","CuKα","","0.0467","0.0433","","","0.1167","0.12","","","","","","1.0334","","","","has coordinates,has disorder","285481","2023-08-05","09:17:49",""
"7062521","4.0163","0.0001","11.2938","0.0001","31.5449","0.0004","90","","91.831","0.001","90","","1430.12","0.04","298.06","0.1","298.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 Cl8 I2 N2 -","- C24 H10 Cl8 I2 N2 -","- C48 H20 Cl16 I4 N4 -","2","0.5","","Powell, Conrad J.; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Preference of halogen bonds over hydrogen bonds within a discrete three-component co-crystal that undergo a [2+2] cycloaddition reaction","New Journal of Chemistry","2023","47","28","13084","13087","10.1039/D3NJ02449K","","x-ray","1.54184","CuKα","","0.035","0.033","","","0.0874","0.0893","","","","","","1.0274","","","","has coordinates","285481","2023-08-05","09:17:49",""
"7062522","4.0199","0.0001","10.8882","0.0003","32.3284","0.001","90","","91.49","0.003","90","","1414.52","0.07","298.36","0.16","298.36","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl8 I2 N4 -","- C22 H10 Cl8 I2 N4 -","- C44 H20 Cl16 I4 N8 -","2","0.5","","Powell, Conrad J.; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Preference of halogen bonds over hydrogen bonds within a discrete three-component co-crystal that undergo a [2+2] cycloaddition reaction","New Journal of Chemistry","2023","47","28","13084","13087","10.1039/D3NJ02449K","","x-ray","1.54184","CuKα","","0.0725","0.0673","","","0.1769","0.18","","","","","","1.0388","","","","has coordinates,has disorder","285481","2023-08-05","09:17:49",""
"7062523","13.2629","0.001","12.0772","0.0009","22.1882","0.0016","90","","90","","90","","3554.1","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C160 H152 N24 O8 S8 -","8","1","","Durga Priyadharshini, R.; Sathishkumar, P. N.; Bensingh, M.; Bhuvanesh, N.; Vennila, K. N.; Karvembu, R.; Elango, Kuppanagounder P.","N,N′,N′′-Trisubstituted guanidine derivatives as DNA-intercalators: synthesis, crystal structures and biophysical investigations","New Journal of Chemistry","2023","47","30","14185","14194","10.1039/D3NJ01327H","","","0.71073","MoKα","","0.0412","0.0328","","","0.0773","0.083","","","","","","1.036","","","","has coordinates","285490","2023-08-05","09:20:12",""
"7062524","15.0645","0.0007","11.7756","0.0005","20.4088","0.0009","90","","90","","90","","3620.4","0.3","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Durga Priyadharshini, R.; Sathishkumar, P. N.; Bensingh, M.; Bhuvanesh, N.; Vennila, K. N.; Karvembu, R.; Elango, Kuppanagounder P.","N,N′,N′′-Trisubstituted guanidine derivatives as DNA-intercalators: synthesis, crystal structures and biophysical investigations","New Journal of Chemistry","2023","47","30","14185","14194","10.1039/D3NJ01327H","","","0.71073","MoKα","","0.0542","0.0399","","","0.0914","0.0987","","","","","","1.035","","","","has coordinates","285490","2023-08-05","09:20:13",""
"7062525","9.3435","0.0005","12.5993","0.0007","15.2448","0.0009","84.54","0.002","72.858","0.002","81.087","0.002","1691.88","0.17","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","2","","Durga Priyadharshini, R.; Sathishkumar, P. N.; Bensingh, M.; Bhuvanesh, N.; Vennila, K. N.; Karvembu, R.; Elango, Kuppanagounder P.","N,N′,N′′-Trisubstituted guanidine derivatives as DNA-intercalators: synthesis, crystal structures and biophysical investigations","New Journal of Chemistry","2023","47","30","14185","14194","10.1039/D3NJ01327H","","","0.71073","MoKα","","0.0486","0.0362","","","0.0818","0.0921","","","","","","1.064","","","","has coordinates","285490","2023-08-05","09:20:13",""
"7062526","4.232","0.0009","8.199","0.0016","10.649","0.002","87.4","0.03","78.53","0.03","75.01","0.03","349.79","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- Ba O17 U4 -","- Ba O17 U4 -","- Ba O17 U4 -","1","0.5","","Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Plášil, Jakub; Karatchevtseva, Inna; Zheng, Rongkun","Investigation of uranium oxide hydrates with barium(ii) ions: structural diversity, uranium valences and implications","New Journal of Chemistry","2023","47","28","13286","13296","10.1039/D3NJ01334K","","","0.71093","silicondoublecrystalmonochromatedsynchrotron","","0.1128","0.0812","","","0.2197","0.2902","","","","","","1.143","","","","has coordinates","285479","2023-08-05","09:16:51",""
"7062527","13.251","0.003","10.389","0.002","25.13","0.005","90","","90.33","0.03","90","","3459.5","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O40.5 U11 -","- Ba2 O40.5 U11 -","- Ba8 O162 U44 -","4","0.5","","Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Plášil, Jakub; Karatchevtseva, Inna; Zheng, Rongkun","Investigation of uranium oxide hydrates with barium(ii) ions: structural diversity, uranium valences and implications","New Journal of Chemistry","2023","47","28","13286","13296","10.1039/D3NJ01334K","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0303","0.0295","","","0.0751","0.0757","","","","","","1.092","","","","has coordinates","285479","2023-08-05","09:16:54",""
"7062528","8.0049","0.0007","10.5291","0.0008","9.2006","0.0008","90","","106.405","0.01","90","","743.9","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 O2 -","- C14 H20 N6 O2 -","- C28 H40 N12 O4 -","2","0.5","","Murugaperumal, Parvathavarthini; Rajendran, Praveena; Nallathambi, Sengottuvelan; Ayyanar, Siva; Perdih, Franc; Balasubramaniem, Ashokkumar; Alagarsamy, Arun","An oxalamide-bridged imidazole based ‘turn off’ fluorescent receptor for copper(ii) and iron(iii) ions","New Journal of Chemistry","2023","47","28","13342","13352","10.1039/D3NJ02444J","","x-ray","0.71073","MoKα","","0.0553","0.0383","","","0.0875","0.1011","","","","","","1.076","","","","has coordinates","285478","2023-08-05","09:16:41",""
"7062529","11.6865","0.0005","20.4883","0.0007","6.3886","0.0003","90","","90","","90","","1529.66","0.11","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H5 Cu N O5 -","- C7 H5 Cu N O5 -","- C56 H40 Cu8 N8 O40 -","8","1","","Karmakar, Gourab; Tyagi, Adish; Wadawale, A. P.; Chauhan, Rohit Singh; Vats, Bal Govind","A 2D Cu(ii) coordination polymer constructed with 2,5-pyridinedicarboxylic acid linker: synthesis, structural analysis and its selective transformation into Cu and CuO nanoparticles","New Journal of Chemistry","2023","47","30","14297","14305","10.1039/D3NJ01906C","","x-ray","0.71073","MoKα","","0.0461","0.0332","","","0.081","0.0859","","","","","","1.063","","","","has coordinates","285485","2023-08-05","09:19:12",""
"7062530","9.5263","0.0004","10.9713","0.0006","11.9081","0.0006","67.572","0.002","76.947","0.003","83.014","0.003","1119.85","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N4 O2 S -","- C27 H22 N4 O2 S -","- C54 H44 N8 O4 S2 -","2","1","","Doddagaddavalli, Manasa A.; Kalalbandi, Veerendra Kumar A.; Naik, T. R. Ravi; Joshi, Shrinivas D.; Seetharamappa, Jaldappagari","Fluorenone–thiazolidine-4-one scaffolds as antidiabetic and antioxidant agents: design, synthesis, X-ray crystal structures, and binding and computational studies","New Journal of Chemistry","2023","47","28","13581","13599","10.1039/D3NJ01922E","","","0.71073","MoKα","","0.0669","0.0491","","","0.1127","0.1233","","","","","","1.038","","","","has coordinates","285475","2023-08-05","09:15:13",""
"7062531","19.3688","0.0018","12.3133","0.0011","16.747","0.0016","90","","115.162","0.003","90","","3615.1","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 N5 O P2 -","- C38 H31 N5 P2 -","- C152 H124 N20 P8 -","4","1","","Sheokand, Sonu; Mohite, Manali A.; Mondal, Dipanjan; Rangarajan, Shalini; Balakrishna, Maravanji S.","1,2,3-Triazolyl bisphosphine with pyridyl functionality: synthesis, copper(i) chemistry and application in click catalysis","New Journal of Chemistry","2023","47","28","13538","13546","10.1039/D3NJ01445B","","","0.71073","MoKα","","0.0789","0.0652","","","0.1573","0.1672","","","","","","1.0637","","","","has coordinates","285477","2023-08-05","09:16:34",""
"7062532","10.2611","0.0003","25.5075","0.0007","13.8777","0.0004","90","","92.168","0.003","90","","3629.68","0.18","150","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Br Cl2 Cu N5 P2 -","- C39 H33 Br Cl2 Cu N5 P2 -","- C156 H132 Br4 Cl8 Cu4 N20 P8 -","4","1","","Sheokand, Sonu; Mohite, Manali A.; Mondal, Dipanjan; Rangarajan, Shalini; Balakrishna, Maravanji S.","1,2,3-Triazolyl bisphosphine with pyridyl functionality: synthesis, copper(i) chemistry and application in click catalysis","New Journal of Chemistry","2023","47","28","13538","13546","10.1039/D3NJ01445B","","","0.71073","MoKα","","0.0506","0.0393","","","0.0895","0.0961","","","","","","1.042","","","","has coordinates","285477","2023-08-05","09:16:34",""
"7062533","10.2428","0.001","26.91","0.002","14.2499","0.0013","90","","95.008","0.003","90","","3912.8","0.6","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 Br0.179 Cu I0.821 N7 P2 -","- C42 H37 Br0.179 Cu I0.821 N7 P2 -","- C168 H148 Br0.716 Cu4 I3.284 N28 P8 -","4","1","","Sheokand, Sonu; Mohite, Manali A.; Mondal, Dipanjan; Rangarajan, Shalini; Balakrishna, Maravanji S.","1,2,3-Triazolyl bisphosphine with pyridyl functionality: synthesis, copper(i) chemistry and application in click catalysis","New Journal of Chemistry","2023","47","28","13538","13546","10.1039/D3NJ01445B","","","0.71073","MoKα","","0.042","0.0294","","","0.0633","0.0697","","","","","","1.0848","","","","has coordinates,has disorder","285477","2023-08-05","09:16:34",""
"7062534","12.7136","0.0005","32.3882","0.0011","20.7077","0.0008","90","","106.411","0.002","90","","8179.4","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Co4 Mo10 N12 O44 -","- C60 H60 Co4 Mo10 N12 O44 -","- C240 H240 Co16 Mo40 N48 O176 -","4","0.5","","An, Haiyan; Huang, Yaohui; Chen, Yanhong; Zhu, Qingshan; Wei, Yuting","Two novel supramolecular structures of Evans–Showell type polyoxometalate for heterogeneous and efficient catalytic conversion of different sulfides","New Journal of Chemistry","2023","47","28","13528","13537","10.1039/D3NJ01441J","","","0.71073","MoKα","","0.0401","0.0281","","","0.0627","0.073","","","","","","1.087","","","","has coordinates,has disorder","285480","2023-08-05","09:17:18",""
"7062535","16.0443","0.0006","20.4432","0.001","20.5811","0.0009","90","","106.925","0.0013","90","","6458.1","0.5","302","2","302","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co2 Cu3 Mo10 N6 O48 -","- C30 H24 Co2 Cu3 Mo10 N6 O49 -","- C120 H96 Co8 Cu12 Mo40 N24 O196 -","4","1","","An, Haiyan; Huang, Yaohui; Chen, Yanhong; Zhu, Qingshan; Wei, Yuting","Two novel supramolecular structures of Evans–Showell type polyoxometalate for heterogeneous and efficient catalytic conversion of different sulfides","New Journal of Chemistry","2023","47","28","13528","13537","10.1039/D3NJ01441J","","","0.71073","MoKα","","0.0591","0.036","","","0.0827","0.0952","","","","","","0.931","","","","has coordinates","285480","2023-08-05","09:17:27",""
"7062536","12.3859","0.0005","6.7939","0.0002","25.8663","0.0009","90","","103.032","0.001","90","","2120.55","0.13","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,4,5-trihydroxybenzoato-N-methyl(pyridine-2-yl)cyanoguanidinecopper(II)chloride trihydrate","","- C32 H46 Cl2 Cu2 N10 O17 -","- C32 H46 Cl2 Cu2 N10 O17 -","- C64 H92 Cl4 Cu4 N20 O34 -","2","0.5","","Nonkuntod, Prangtip; Boonmak, Jaursup; Senawong, Thanaset; Soikum, Chaiyaporn; Chaveerach, Prapansak; Watwiangkham, Athis; Suthirakun, Suwit; Chaveerach, Unchulee","The effect of gallic acid on the copper(ii) complex of N-(methylpyridin-2-yl)-amidino-O-methylurea: crystal structure, DNA interactions, in vitro cytotoxicity and antibacterial activity","New Journal of Chemistry","2023","47","26","12259","12273","10.1039/D3NJ00446E","","","0.71073","MoKα","","0.0623","0.0391","","","0.0907","0.1008","","","","","","1.022","","","","has coordinates,has disorder","284764","2023-07-04","00:14:39",""
"7062537","9.4305","0.0007","11.9858","0.0009","20.8802","0.0017","90","","100.87","0.002","90","","2317.8","0.3","101","","101","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl Ir N2 O2 -","- C26 H28 Cl Ir N2 O2 -","- C104 H112 Cl4 Ir4 N8 O8 -","4","1","","Bakibillah, Md.; Reja, Sahin; Sarkar, Kaushik; Mukherjee, Deboshmita; Kumar Das, Rajesh","Selective catalytic synthesis of α-alkylated ketones and β-alkylated secondary alcohols via hydrogen-borrowing","New Journal of Chemistry","2023","47","29","13655","13660","10.1039/D3NJ02295A","","","1.54178","CuKα","","0.0306","0.0303","","","0.0837","0.0839","","","","","","1.198","","","","has coordinates","285469","2023-08-05","09:13:58",""
"7062538","15.724","0.004","5.3548","0.0015","20.921","0.006","90","","102.572","0.011","90","","1719.3","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs2 O15 V4 Zn4 -","- Cs2 O15 V4 Zn4 -","- Cs8 O60 V16 Zn16 -","4","0.5","","Feng, Qiuyuan; Zuo, Jianyi; Du, Hong","Synthesis and characterization of Cs2Zn4V4O15—a new vanadate in the Cs–Zn–V–O quaternary system","New Journal of Chemistry","2023","47","29","13697","13702","10.1039/D3NJ01020A","","","0.71073","MoKα","","0.0355","0.0281","","","0.0641","0.0732","","","","","","1.092","","","","has coordinates","285468","2023-08-05","09:13:48",""
"7062539","7.3839","0.0002","11.7705","0.0003","22.5226","0.0006","79.201","0.002","82.931","0.002","73.379","0.002","1837.46","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 N2 S4 -","- C46 H32 N2 S4 -","- C92 H64 N4 S8 -","2","1","","Yoshimura, Aya; Yoshinouchi, Moeko; Hemmi, Keisuke; Aso, Yuto; Utsumi, Ryosuke; Shirahata, Takashi; Yao, Masaru; Misaki, Yohji","Synthesis of Bz-TTFs with polymerization sites and the properties of Li-ion batteries comprising them as active materials","New Journal of Chemistry","2023","47","25","11760","11764","10.1039/D3NJ00289F","","","0.71073","MoKα","","0.077","0.0521","","","0.1102","0.1217","","","","","","1.046","","","","has coordinates","284772","2023-07-04","19:23:36",""
"7062540","12.8261","0.0004","17.1559","0.0005","13.9852","0.0004","90","","105.543","0.003","90","","2964.81","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 S4 -","- C36 H28 N2 S4 -","- C144 H112 N8 S16 -","4","1","","Yoshimura, Aya; Yoshinouchi, Moeko; Hemmi, Keisuke; Aso, Yuto; Utsumi, Ryosuke; Shirahata, Takashi; Yao, Masaru; Misaki, Yohji","Synthesis of Bz-TTFs with polymerization sites and the properties of Li-ion batteries comprising them as active materials","New Journal of Chemistry","2023","47","25","11760","11764","10.1039/D3NJ00289F","","","0.71073","MoKα","","0.0825","0.0528","","","0.1054","0.1181","","","","","","1.026","","","","has coordinates","284772","2023-07-04","19:23:37",""
"7062541","13.17","","13.176","","13.207","","60.41","","60.41","","60.46","","1636.17","","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","FETNESAL","","- C H Fe N O -","- C33 H39 Fe N4 O6 -","- C66 H78 Fe2 N8 O12 -","2","1","","Das, Jayanta; Maji, Sangita; Mandal, Prasenjit; Ghosh, Subhasis; Das, Debasis","A tripodal imine-derived Fe(iii) complex for the fluorescence recognition of Mg(ii) via green emission: crystal structure, photophysical interactions and DFT studies","New Journal of Chemistry","2023","47","29","13776","13782","10.1039/D3NJ01934A","","","0.71073","MoKα","","0.0725","0.0455","","","0.1382","0.1613","","","","","","1.106","","","","has coordinates","285471","2023-08-05","09:14:12",""
"7062542","6.3607","0.0003","7.3751","0.0003","24.3886","0.0013","83.237","0.002","89.608","0.002","82.976","0.002","1127.57","0.09","296","2","296","2","","","","","","","NA","4","P -1","-P 1","2","","(2Z,2'Z)-3,3'-(anthracene-9,10-diylbis(4,1-phenylene))bis(2-(4-(hexyloxy)phenyl)acrylonitrile)","","- C56 H52 N2 O2 -","- C56 H52 N2 O2 -","- C56 H52 N2 O2 -","1","0.5","","Femina, Cherumannil; Shanthil, M.; Sajith, Pookkottu K.; Thomas, Reji","Anthracene-incorporated cyanostilbene based donor–acceptor systems: intramolecular charge transfer and aggregation induced emission","New Journal of Chemistry","2023","47","29","13810","13819","10.1039/D3NJ00478C","","","0.71073","MoKα","","0.069","0.0586","","","0.1649","0.1801","","","","","","1.065","","","","has coordinates","285472","2023-08-05","09:14:24",""
"7062543","13.278","0.0013","15.0938","0.0015","20.7588","0.0018","110.446","0.003","99.274","0.002","97.571","0.002","3766.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","complex1","","","- C76 H64 Cl4 Mn4 N8 O20 Se2 -","- C76 H64 Cl4 Mn4 N8 O20 Se2 -","- C152 H128 Cl8 Mn8 N16 O40 Se4 -","2","1","","Zhang, Shao-Liang; Liu, Yu-Wen; Yue, Cai-Ran; Zhao, Xin-Hua; Wang, Yan-Lan; Li, Shan-Shan","Single chain magnetic behaviour in a selenite-bridged out-of-plane Mn2O2 dimer motif","New Journal of Chemistry","2023","47","30","14528","14533","10.1039/D3NJ02304D","","","0.71073","MoKα","","0.1582","0.0724","","","0.1464","0.17","","","","","","0.886","","","","has coordinates","285484","2023-08-05","09:18:57",""
"7062544","11.5584","0.0004","12.9493","0.0005","13.6334","0.0005","100.768","0.003","97.117","0.003","113.238","0.003","1797.32","0.13","277","20","277","20","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 B Cl3 F2 N3 O3 -","- C38 H29 B Cl3 F2 N3 O3 -","- C76 H58 B2 Cl6 F4 N6 O6 -","2","1","","Chinta, Ramu V. Ranga Naidu; Sulava, Sushree; Aradhyula, Basava Punna Rao; Jandhyam, Harithalakshmi; Alone, Debasmita Pankaj; Venkatasubbaiah, Krishnan","Synthesis, photophysical properties, bioimaging potential and in vitro toxicity studies of naphthalimide imidazole boron complexes","New Journal of Chemistry","2023","47","30","14508","14514","10.1039/D3NJ02622A","","","1.54178","CuKα","","0.0721","0.0648","","","0.2024","0.2099","","","","","","1.057","","","","has coordinates,has disorder","285486","2023-08-05","09:19:25",""
"7062545","10.7782","0.0002","11.7248","0.0002","20.6634","0.0002","84.141","0.001","86.947","0.001","65.911","0.002","2371.22","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H40 B Cl6 N3 O3 -","- C51 H40 B Cl6 N3 O3 -","- C102 H80 B2 Cl12 N6 O6 -","2","1","","Chinta, Ramu V. Ranga Naidu; Sulava, Sushree; Aradhyula, Basava Punna Rao; Jandhyam, Harithalakshmi; Alone, Debasmita Pankaj; Venkatasubbaiah, Krishnan","Synthesis, photophysical properties, bioimaging potential and in vitro toxicity studies of naphthalimide imidazole boron complexes","New Journal of Chemistry","2023","47","30","14508","14514","10.1039/D3NJ02622A","","","1.54178","CuKα","","0.0661","0.0609","","","0.1852","0.1902","","","","","","1.09","","","","has coordinates,has disorder","285486","2023-08-05","09:19:25",""
"7062546","10.8114","0.0003","12.1669","0.0003","20.583","0.0004","84.284","0.002","86.457","0.002","63.952","0.003","2419.91","0.12","130","20","130","20","","","","","","","","7","P -1","-P 1","2","","","","- C51 H30 B Cl6 F10 N3 O3 -","- C51 H30 B Cl6 F10 N3 O3 -","- C102 H60 B2 Cl12 F20 N6 O6 -","2","1","","Chinta, Ramu V. Ranga Naidu; Sulava, Sushree; Aradhyula, Basava Punna Rao; Jandhyam, Harithalakshmi; Alone, Debasmita Pankaj; Venkatasubbaiah, Krishnan","Synthesis, photophysical properties, bioimaging potential and in vitro toxicity studies of naphthalimide imidazole boron complexes","New Journal of Chemistry","2023","47","30","14508","14514","10.1039/D3NJ02622A","","","1.54178","CuKα","","0.1653","0.142","","","0.3507","0.3699","","","","","","1.519","","","","has coordinates,has disorder","285486","2023-08-05","09:19:25",""
"7062547","8.0264","0.0006","5.4616","0.0004","27.769","0.002","90","","95.697","0.002","90","","1211.3","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium bismuth oxophosphate","potassium pentabismuth pentaoxo-diphosphate","","- Bi2.5 K0.5 O6.5 P -","- Bi2.5 K0.5 O6.5 P -","- Bi20 K4 O52 P8 -","8","2","","Shvanskaya, Larisa; Krikunova, Polina; Nikolaeva, Irina; Lyssenko, Konstantin; Pokryshkin, Nikolay; Timoshenko, Victor","Novel bismuth oxosalts, β-Bi3O3(VO4) and KBi5O5(PO4)2: synthesis and effect of hydrothermal pressure on the crystal structure","New Journal of Chemistry","2023","47","29","13911","13917","10.1039/D3NJ02060F","","","0.71073","MoKα","","0.0485","0.033","","","0.0695","0.0765","","","","","","1.037","","","","has coordinates","285470","2023-08-05","09:14:05",""
"7062548","5.7337","0.0006","7.1029","0.0008","9.298","0.001","80.334","0.003","78.576","0.003","68.557","0.003","343.58","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","bismuth oxovanadate","tribismuth oxovanadate","","- Bi0.75 O1.75 V0.25 -","- Bi0.75 O1.75 V0.25 -","- Bi6 O14 V2 -","8","4","","Shvanskaya, Larisa; Krikunova, Polina; Nikolaeva, Irina; Lyssenko, Konstantin; Pokryshkin, Nikolay; Timoshenko, Victor","Novel bismuth oxosalts, β-Bi3O3(VO4) and KBi5O5(PO4)2: synthesis and effect of hydrothermal pressure on the crystal structure","New Journal of Chemistry","2023","47","29","13911","13917","10.1039/D3NJ02060F","","","0.71073","MoKα","","0.0355","0.0308","","","0.0742","0.0765","","","","","","1.072","","","","has coordinates","285470","2023-08-05","09:14:05",""
"7062549","9.291","0.003","13.506","0.005","15.467","0.005","90","","90","","90","","1940.9","1.1","298.96","","298.96","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","2","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","Designing inorganic–organic hybrid molecules based on carbazole/indole-appended cyclotriphosphazenes and the investigation of their photophysical properties","New Journal of Chemistry","2023","47","29","13866","13879","10.1039/D3NJ01956J","","","0.71073","MoKα","","0.0636","0.0437","","","0.0984","0.1101","","","","","","1.031","","","","has coordinates","285473","2023-08-05","09:14:41",""
"7062550","21.743","0.004","11.673","0.002","16.814","0.003","90","","107.289","0.004","90","","4074.7","1.3","172.99","","172.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl3 N6 O3 P3 -","- C42 H36 Cl3 N6 O3 P3 -","- C168 H144 Cl12 N24 O12 P12 -","4","1","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","Designing inorganic–organic hybrid molecules based on carbazole/indole-appended cyclotriphosphazenes and the investigation of their photophysical properties","New Journal of Chemistry","2023","47","29","13866","13879","10.1039/D3NJ01956J","","","0.71073","MoKα","","0.1859","0.0699","","","0.1537","0.1984","","","","","","0.97","","","","has coordinates","285473","2023-08-05","09:14:51",""
"7062551","6.4414","0.0014","11.785","0.003","13.959","0.003","92.212","0.007","96.911","0.008","94.926","0.008","1046.8","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","2","","Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins","New Journal of Chemistry","2023","47","29","13626","13637","10.1039/D3NJ02515B","","","0.71073","MoKα","","0.1156","0.0749","","","0.1258","0.1391","","","","","","1.11","","","","has coordinates","285474","2023-08-05","09:15:01",""
"7062552","6.5963","0.0005","12.8953","0.0009","9.5356","0.0007","90","","97.461","0.002","90","","804.24","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl3 N2 O4 -","- C15 H11 Cl3 N2 O4 -","- C30 H22 Cl6 N4 O8 -","2","1","","Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins","New Journal of Chemistry","2023","47","29","13626","13637","10.1039/D3NJ02515B","","","0.71073","MoKα","","0.0405","0.0357","","","0.0772","0.0796","","","","","","1.039","","","","has coordinates","285474","2023-08-05","09:15:02",""
"7062553","6.6066","0.0002","12.8897","0.0005","9.5387","0.0004","90","","97.422","0.001","90","","805.48","0.05","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl3 N2 O4 -","- C15 H11 Cl3 N2 O4 -","- C30 H22 Cl6 N4 O8 -","2","1","","Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins","New Journal of Chemistry","2023","47","29","13626","13637","10.1039/D3NJ02515B","","","0.71073","MoKα","","0.0286","0.0254","","","0.055","0.0566","","","","","","1.028","","","","has coordinates","285474","2023-08-05","09:15:02",""
"7062554","11.2578","0.0002","6.8693","0.0002","14.7437","0.0003","90","","98.441","0.001","90","","1127.83","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z-15","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Nguyen Tran, Anh Thu; Wu, Zhiyuan; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of model southern rim structures of photosynthetic tetrapyrroles and phyllobilins","New Journal of Chemistry","2023","47","29","13626","13637","10.1039/D3NJ02515B","","","1.54178","CuKα","","0.0342","0.0338","","","0.0822","0.0825","","","","","","1.04","","","","has coordinates","285474","2023-08-05","09:15:02",""
"7062555","28.019","0.003","10.188","0.0009","14.1144","0.0012","90","","115.37","0.003","90","","3640.5","0.6","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cl Cu N4 S2 -","- C42 H40 Cl Cu N4 S2 -","- C168 H160 Cl4 Cu4 N16 S8 -","4","0.5","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.0961","0.0406","","","0.0838","0.1041","","","","","","1.017","","","","has coordinates","286158","2023-09-05","20:07:22",""
"7062556","28.1069","0.0007","10.3068","0.0003","14.1975","0.0003","90","","116.16","0.001","90","","3691.61","0.16","299","2","299","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cl Cu N4 Se2 -","- C42 H40 Cl Cu N4 Se2 -","- C168 H160 Cl4 Cu4 N16 Se8 -","4","0.5","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.0585","0.0332","","","0.0692","0.0775","","","","","","1.033","","","","has coordinates","286158","2023-09-05","20:07:23",""
"7062557","28.1758","0.0015","10.3689","0.0004","14.2314","0.0006","90","","115.236","0.003","90","","3760.9","0.3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu I N4 Se2 -","- C42 H40 Cu I N4 Se2 -","- C168 H160 Cu4 I4 N16 Se8 -","4","0.5","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.0339","0.0241","","","0.0518","0.0551","","","","","","1.025","","","","has coordinates","286158","2023-09-05","20:07:23",""
"7062558","28.154","0.006","10.252","0.002","14.169","0.003","90","","114.508","0.012","90","","3721.2","1.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu I N4 S2 -","- C42 H40 Cu I N4 S2 -","- C168 H160 Cu4 I4 N16 S8 -","4","0.5","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.0303","0.0273","","","0.0708","0.0729","","","","","","1.037","","","","has coordinates","286158","2023-09-05","20:07:23",""
"7062559","11.7935","0.0007","12.0809","0.0007","12.2924","0.0007","102","0.002","110.065","0.002","111.341","0.002","1417.11","0.15","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","Cat 7","","- C22 H26 Cu F6 N6 P S2 -","- C22 H26 Cu F6 N6 P S2 -","- C44 H52 Cu2 F12 N12 P2 S4 -","2","1","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.083","0.0497","","","0.123","0.1421","","","","","","1.018","","","","has coordinates","286158","2023-09-05","20:07:23",""
"7062560","28.07","0.016","10.219","0.005","14.185","0.008","90","","114.84","0.03","90","","3692","4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Br Cu N6 S2 -","- C42 H40 Br Cu N4 S2 -","- C168 H160 Br4 Cu4 N16 S8 -","4","0.5","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.0983","0.046","","","0.1111","0.1365","","","","","","1.014","","","","has coordinates","286158","2023-09-05","20:07:23",""
"7062561","28.0903","0.0019","10.3326","0.0006","14.2021","0.0009","90","","115.758","0.004","90","","3712.5","0.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Br Cu N4 Se2 -","- C42 H40 Br Cu N4 Se2 -","- C168 H160 Br4 Cu4 N16 Se8 -","4","0.5","","Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan","Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry","New Journal of Chemistry","2023","47","32","15027","15035","10.1039/D3NJ01875J","","","0.71073","MoKα","","0.0663","0.0342","","","0.0767","0.0899","","","","","","1.03","","","","has coordinates","286158","2023-09-05","20:07:23",""
"7062562","23.772","0.0014","14.0221","0.0008","13.8462","0.0009","90","","90","","90","","4615.4","0.5","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","[Bis(di(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidino)pyridine]Nickel(II) hexafluorophosphate","","- C40 H57 F12 N15 Ni P2 -","- C40 H57 F12 N15 Ni P2 -","- C160 H228 F48 N60 Ni4 P8 -","4","1","","Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.","Ni(ii)-polypyridyl complexes as potential DNA binders","New Journal of Chemistry","2023","47","31","14717","14725","10.1039/D3NJ00961K","","","0.71073","MoKα","","0.0499","0.0479","","","0.1241","0.1257","","","","","","1.055","","","","has coordinates,has disorder","286172","2023-09-05","20:10:15",""
"7062563","23.253","0.004","14.073","0.003","13.729","0.003","90","","90","","90","","4492.7","1.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","[Bis(di(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidino)pyrazine]Nickel(II) hexafluorophosphate","","- C38 H55 F12 N17 Ni P2 -","- C38 H55 F12 N17 Ni P2 -","- C152 H220 F48 N68 Ni4 P8 -","4","1","","Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.","Ni(ii)-polypyridyl complexes as potential DNA binders","New Journal of Chemistry","2023","47","31","14717","14725","10.1039/D3NJ00961K","","","0.71073","MoKα","","0.0302","0.0288","","","0.0756","0.0761","","","","","","1.032","","","","has coordinates","286172","2023-09-05","20:10:16",""
"7062564","12.757","0.005","15.419","0.006","46.854","0.016","90","","90","","90","","9216","6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Bis(di(8-quinoline)pyridine)]Nickel(II) hexafluorophosphate acetonitrile","","- C50 H36 F12 N8 Ni P2 -","- C50 H36 F12 N8 Ni P2 -","- C400 H288 F96 N64 Ni8 P16 -","8","1","","Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.","Ni(ii)-polypyridyl complexes as potential DNA binders","New Journal of Chemistry","2023","47","31","14717","14725","10.1039/D3NJ00961K","","","0.71073","MoKα","","0.0555","0.0447","","","0.1139","0.1204","","","","","","1.033","","","","has coordinates","286172","2023-09-05","20:10:16",""
"7062565","10.378","0.002","13.432","0.003","18.562","0.004","90","","90","","90","","2587.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-4-((4-oxo-6-tosyl-1,2,3,4,6,11c-hexahydrobenzo[4,5]thieno[2,3-c]isoquinolin-5-yl)methyl)benzonitrile","","- C30 H24 N2 O3 S2 -","- C30 H24 N2 O3 S2 -","- C120 H96 N8 O12 S8 -","4","1","","Niu, Cheng; Zheng, Yao; Du, Da-Ming","Organocatalytic stereoselective construction of polycyclic benzo[b]thiophenes from 2-aminobenzo[b]thiophenes and alkynyl-substituted enones","New Journal of Chemistry","2023","47","30","14515","14519","10.1039/D3NJ02798H","","","0.71073","MoKα","","0.1125","0.054","","","0.0992","0.1197","","","","","","1.035","","","","has coordinates,has disorder","285487","2023-08-05","09:19:33",""
"7062566","9.6474","0.0014","13.1696","0.0019","22.923","0.003","90","","90","","90","","2912.4","0.7","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5bS,12cS,Z)-6-benzylidene-7-tosyl-5b,6,7,12c,13,14-hexahydro-5H-benzo[4',5']thieno- [3',2':5,6]pyrido[3,4-a]carbazole","","- C35 H28 N2 O2 S2 -","- C35 H28 N2 O2 S2 -","- C140 H112 N8 O8 S8 -","4","1","","Niu, Cheng; Zheng, Yao; Du, Da-Ming","Organocatalytic stereoselective construction of polycyclic benzo[b]thiophenes from 2-aminobenzo[b]thiophenes and alkynyl-substituted enones","New Journal of Chemistry","2023","47","30","14515","14519","10.1039/D3NJ02798H","","","1.54178","CuKα","","0.0904","0.0706","","","0.1865","0.2164","","","","","","1.072","","","","has coordinates","285487","2023-08-05","09:19:33",""
"7062567","7.1067","0.0008","9.6899","0.001","14.5223","0.0012","84.346","0.008","77.804","0.008","73.771","0.01","937.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C44 H42 N6 O4 -","2","1","","Mamta,; Mir, Nisar A.; Yadav, Jyothi; Pawar, Amol Prakash; Sharma, Ratika; Kant, Rajni; Rangan, Krishnan; Iype, Eldhose; Khungar, Bharti; Kumar, Indresh","Two-pot sequential multicomponent metal-free synthesis of pyrrolo[2,3-d]pyridazin-7-ones and pyrrolo[2,3-d]pyrizidines","New Journal of Chemistry","2023","47","31","14637","14645","10.1039/D3NJ02249H","","","0.71073","MoKα","","0.1416","0.0589","","","0.0961","0.1258","","","","","","0.958","","","","has coordinates","286171","2023-09-05","20:10:04",""
"7062568","17.6435","0.0006","9.6496","0.0004","15.5396","0.0004","90","","91.29","0.003","90","","2644.99","0.16","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C144 H104 N24 -","8","2","","Mamta,; Mir, Nisar A.; Yadav, Jyothi; Pawar, Amol Prakash; Sharma, Ratika; Kant, Rajni; Rangan, Krishnan; Iype, Eldhose; Khungar, Bharti; Kumar, Indresh","Two-pot sequential multicomponent metal-free synthesis of pyrrolo[2,3-d]pyridazin-7-ones and pyrrolo[2,3-d]pyrizidines","New Journal of Chemistry","2023","47","31","14637","14645","10.1039/D3NJ02249H","","x-ray","1.54184","CuKα","","0.0558","0.0471","","","0.1244","0.1343","","","","","","1.091","","","","has coordinates","286171","2023-09-05","20:10:04",""
"7062569","15.241","0.01","8.971","0.006","19.952","0.013","90","","98.341","0.009","90","","2699","3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 N8 O4 -","- C62 H60 N8 O4 -","- C124 H120 N16 O8 -","2","0.5","","Zeng, Fei; Tang, Lin-Li; Ding, Man-Hua","Recognition of naphthoflavones by calix[4]pyrrole[2]phenanthrene","New Journal of Chemistry","2023","47","30","14118","14122","10.1039/D3NJ02483K","","","0.71073","MoKα","","0.2012","0.0895","","","0.1833","0.2389","","","","","","0.968","","","","has coordinates","285493","2023-08-05","09:20:55",""
"7062570","16.299","0.004","16.315","0.004","18.435","0.005","102.339","0.003","102.319","0.003","109.884","0.003","4279.6","1.9","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C111 H86 N4 O11 -","- C111 H86 N4 O11 -","- C222 H172 N8 O22 -","2","1","","Zeng, Fei; Tang, Lin-Li; Ding, Man-Hua","Recognition of naphthoflavones by calix[4]pyrrole[2]phenanthrene","New Journal of Chemistry","2023","47","30","14118","14122","10.1039/D3NJ02483K","","x-ray","0.71073","MoKα","","0.1978","0.0916","","","0.2419","0.3106","","","","","","1.022","","","","has coordinates,has disorder","285493","2023-08-05","09:20:58",""
"7062571","6.95","0.0013","32.855","0.006","7.9566","0.0014","90","","96.405","0.004","90","","1805.5","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N4 O -","- C20 H16 Br N4 O -","- C80 H64 Br4 N16 O4 -","4","2","","Mandal, Naba Kr; Arya, Priyanka; Raghav, Neera; Chowdhury, Shubhamoy; Naskar, Jnan Prakash","Design, synthesis, crystal structure, photophysical behavior and aggregation-induced emission of a novel pyrene scaffold multifunctional Schiff base ligand: inhibition of digestive enzymes and docking studies","New Journal of Chemistry","2023","47","30","14551","14568","10.1039/D3NJ02148C","","","0.71073","MoKα","","0.1368","0.1079","","","0.2695","0.2876","","","","","","1.109","","","","has coordinates","285489","2023-08-05","09:19:55",""
"7062572","8.2006","0.0005","13.3581","0.0008","12.178","0.0008","90","","90.311","0.006","90","","1334.01","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F5 N2 O2 -","- C13 H11 F5 N2 O2 -","- C52 H44 F20 N8 O8 -","4","1","","Tai, Lang; Sun, Sheng-Xin; Yue, Kai; Chai, Jian-Qi; Hou, Shuai-Tao; Dai, Guang-Yu; Yang, Chun-Long; Chen, Min","Novel fungicidal phenylethanol derivatives linking a trifluoromethyl pyrazole pharmacophore: design, synthesis, crystal structure, and biology evaluation","New Journal of Chemistry","2023","47","27","12850","12860","10.1039/D3NJ02234J","","x-ray","0.71073","MoKα","","0.0511","0.0443","","","0.1053","0.1103","","","","","","1.043","","","","has coordinates","285130","2023-07-11","00:19:20",""
"7062573","11.19","0.0006","17.2006","0.0006","14.9006","0.0005","90","","97.231","0.004","90","","2845.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cu N2 S4 -","- C30 H28 Cu N2 S4 -","- C120 H112 Cu4 N8 S16 -","4","1","","Sarker, Jagodish C.; Xu, Xiang; Alam, Firoz; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Cockcroft, Jeremy K.; Lewis, David J.; Hogarth, Graeme","Copper diaryl-dithiocarbamate complexes and their application as single source precursors (SSPs) for copper sulfide nanomaterials","New Journal of Chemistry","2023","47","27","12718","12727","10.1039/D3NJ01918G","","x-ray","1.54178","CuKα","","0.1","0.0667","","","0.1519","0.1698","","","","","","1.041","","","","has coordinates","285131","2023-07-11","00:20:14",""
"7062574","18.9452","0.0004","12.0938","0.0002","19.1076","0.0005","90","","105.406","0.003","90","","4220.61","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 Cu N P2 S2 -","- C51 H44 Cu N P2 S2 -","- C204 H176 Cu4 N4 P8 S8 -","4","1","","Sarker, Jagodish C.; Xu, Xiang; Alam, Firoz; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Cockcroft, Jeremy K.; Lewis, David J.; Hogarth, Graeme","Copper diaryl-dithiocarbamate complexes and their application as single source precursors (SSPs) for copper sulfide nanomaterials","New Journal of Chemistry","2023","47","27","12718","12727","10.1039/D3NJ01918G","","x-ray","0.71075","MoKα","K-L~3~","0.137","0.0835","","","0.187","0.2147","","","","","","1.026","","","","has coordinates","285131","2023-07-11","00:20:14",""
"7062575","9.7567","0.0002","19.5651","0.0002","16.546","0.0002","90","","99.443","0.001","90","","3115.68","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cu N2 O4 S4 -","- C30 H28 Cu N2 O4 S4 -","- C120 H112 Cu4 N8 O16 S16 -","4","1","","Sarker, Jagodish C.; Xu, Xiang; Alam, Firoz; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Cockcroft, Jeremy K.; Lewis, David J.; Hogarth, Graeme","Copper diaryl-dithiocarbamate complexes and their application as single source precursors (SSPs) for copper sulfide nanomaterials","New Journal of Chemistry","2023","47","27","12718","12727","10.1039/D3NJ01918G","","x-ray","1.54184","CuKα","","0.0338","0.03","","","0.0761","0.0786","","","","","","1.076","","","","has coordinates","285131","2023-07-11","00:20:14",""
"7062576","17.5736","0.0014","13.056","0.0009","24.5284","0.0018","90","","103.023","0.008","90","","5483.1","0.7","301.2","0.3","301.2","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30.1 H26 N1.55 O6 S -","- C30.1 H26 N1.55 O6 S -","- C240.8 H208 N12.4 O48 S8 -","8","1","","Chen, Zhong; Wang, Zexin; Liu, Wei; Wei, Yongbo; Ye, Yuqiu; Ke, Yanbing; Wu, Tong; Chen, Nannan; Zhou, Jingming; Zhang, Xiaopo; Tan, Yingfeng; Jiang, Hong; Zhai, Xin; Xie, Lijun","One-step facile transformation from rofecoxib to reversible mechanofluorochromic materials with dual-state emission","New Journal of Chemistry","2023","47","27","12839","12849","10.1039/D3NJ02402D","","x-ray","0.71073","MoKα","","0.1143","0.07","","","0.1636","0.1919","","","","","","1.043","","","","has coordinates,has disorder","285132","2023-07-11","00:20:52",""
"7062577","9.115","0.0018","9.147","0.0018","29.34","0.006","90","","90","","90","","2446.2","0.8","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 N4 -","- C33 H24 N4 -","- C132 H96 N16 -","4","1","","Sivadas, Deepanjaly K.; Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Distinct fluorescence state, mechanofluorochromism of terpyridine conjugated fluorophores and the reusable sensing of nitroaromatics in aqueous medium","New Journal of Chemistry","2023","47","27","12770","12778","10.1039/D3NJ01235B","","","0.63","synchrotron","","0.1215","0.0507","","","0.0912","0.1085","","","","","","0.827","","","","has coordinates","285133","2023-07-11","00:21:42",""
"7062578","10.174","0.002","12.366","0.003","12.944","0.003","100.57","0.03","108.39","0.03","92.6","0.03","1509.8","0.7","220","2","220","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H29 N3 -","- C41 H29 N3 -","- C82 H58 N6 -","2","1","","Sivadas, Deepanjaly K.; Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Distinct fluorescence state, mechanofluorochromism of terpyridine conjugated fluorophores and the reusable sensing of nitroaromatics in aqueous medium","New Journal of Chemistry","2023","47","27","12770","12778","10.1039/D3NJ01235B","","","0.63","synchrotron","","0.0541","0.0495","","","0.1485","0.1526","","","","","","1.078","","","","has coordinates","285133","2023-07-11","00:21:43",""
"7062579","25.421","0.005","7.015","0.0014","19.406","0.004","90","","96.02","0.03","90","","3441.6","1.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H26 N7 Na O7 -","- C39 H26 N7 Na O7 -","- C156 H104 N28 Na4 O28 -","4","1","","Sivadas, Deepanjaly K.; Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Distinct fluorescence state, mechanofluorochromism of terpyridine conjugated fluorophores and the reusable sensing of nitroaromatics in aqueous medium","New Journal of Chemistry","2023","47","27","12770","12778","10.1039/D3NJ01235B","","","0.7","synchrotron","","0.1532","0.1155","","","0.3327","0.362","","","","","","1.36","","","","has coordinates,has disorder","285133","2023-07-11","00:21:43",""
"7062580","10.5852","0.0003","11.5076","0.0003","11.7328","0.0003","96.255","0.002","107.865","0.002","103.806","0.002","1295.06","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Bi Br3 N6 S4 -","- C16 H22 Bi Br3 N6 S4 -","- C32 H44 Bi2 Br6 N12 S8 -","2","1","","Ozturk, Ibrahim I.; Turk, Kadriye; Grześkiewicz, Anita M.; Kubicki, Maciej; Banti, Christina N.; Hadjikakou, Sotiris K.","Heteroleptic six-coordinate bismuth(iii) complexes with 2-acetylthiophene thiosemicarbazones: synthesis, characterization, and biological properties","New Journal of Chemistry","2023","47","27","12779","12789","10.1039/D3NJ01411H","","x-ray","0.71073","MoKα","","0.0218","0.0182","","","0.0404","0.0419","","","","","","1.066","","","","has coordinates,has disorder","285134","2023-07-11","00:22:54",""
"7062581","7.8136","0.0003","12.756","0.0007","17.6388","0.0011","70.31","0.005","84.83","0.004","88.196","0.004","1648.53","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Bi Cl3 N9 S6 -","- C21 H27 Bi Cl3 N9 S6 -","- C42 H54 Bi2 Cl6 N18 S12 -","2","1","","Ozturk, Ibrahim I.; Turk, Kadriye; Grześkiewicz, Anita M.; Kubicki, Maciej; Banti, Christina N.; Hadjikakou, Sotiris K.","Heteroleptic six-coordinate bismuth(iii) complexes with 2-acetylthiophene thiosemicarbazones: synthesis, characterization, and biological properties","New Journal of Chemistry","2023","47","27","12779","12789","10.1039/D3NJ01411H","","x-ray","0.71073","MoKα","","0.022","0.0198","","","0.0434","0.0442","","","","","","1.062","","","","has coordinates","285134","2023-07-11","00:22:55",""
"7062582","10.6012","0.0004","11.3117","0.0004","11.8373","0.0004","97.356","0.003","113.144","0.003","100.017","0.003","1254.76","0.09","100.01","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Bi2 I6 N12 S8 -","- C28 H36 Bi2 I6 N12 S8 -","- C28 H36 Bi2 I6 N12 S8 -","1","0.5","","Ozturk, Ibrahim I.; Turk, Kadriye; Grześkiewicz, Anita M.; Kubicki, Maciej; Banti, Christina N.; Hadjikakou, Sotiris K.","Heteroleptic six-coordinate bismuth(iii) complexes with 2-acetylthiophene thiosemicarbazones: synthesis, characterization, and biological properties","New Journal of Chemistry","2023","47","27","12779","12789","10.1039/D3NJ01411H","","","0.71073","MoKα","","0.0246","0.0222","","","0.0482","0.0493","","","","","","1.114","","","","has coordinates,has disorder","285134","2023-07-11","00:22:55",""
"7062583","10.3573","0.0007","11.2631","0.0008","11.6777","0.0008","96.698","0.006","114.671","0.007","100.972","0.006","1185.57","0.17","100.01","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Bi2 Br6 N12 S8 -","- C28 H36 Bi2 Br6 N12 S8 -","- C28 H36 Bi2 Br6 N12 S8 -","1","0.5","","Ozturk, Ibrahim I.; Turk, Kadriye; Grześkiewicz, Anita M.; Kubicki, Maciej; Banti, Christina N.; Hadjikakou, Sotiris K.","Heteroleptic six-coordinate bismuth(iii) complexes with 2-acetylthiophene thiosemicarbazones: synthesis, characterization, and biological properties","New Journal of Chemistry","2023","47","27","12779","12789","10.1039/D3NJ01411H","","","0.71073","MoKα","","0.0265","0.0245","","","0.0567","0.0576","","","","","","1.12","","","","has coordinates,has disorder","285134","2023-07-11","00:22:55",""
"7062584","14.0476","0.0004","14.9502","0.0004","18.4873","0.0006","96.771","0.002","96.425","0.002","95.962","0.002","3804.2","0.2","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H68 Bi2 Cl6 N18 O0.5 S12 -","- C48.5 H68 Bi2 Cl6 N18 O0.5 S12 -","- C97 H136 Bi4 Cl12 N36 O S24 -","2","1","","Ozturk, Ibrahim I.; Turk, Kadriye; Grześkiewicz, Anita M.; Kubicki, Maciej; Banti, Christina N.; Hadjikakou, Sotiris K.","Heteroleptic six-coordinate bismuth(iii) complexes with 2-acetylthiophene thiosemicarbazones: synthesis, characterization, and biological properties","New Journal of Chemistry","2023","47","27","12779","12789","10.1039/D3NJ01411H","","","0.71073","MoKα","","0.03","0.0228","","","0.0453","0.0479","","","","","","1.031","","","","has coordinates,has disorder","285134","2023-07-11","00:22:55",""
"7062585","33.324","0.003","17.1944","0.0014","26.901","0.003","90","","115.272","0.003","90","","13939","2","273","2","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H74 Cl4 N4 O6 P2 Ru2 -","- C68 H62 Cl3 N4 O4 P2 Ru2 -","- C544 H496 Cl24 N32 O32 P16 Ru16 -","8","1","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Di-ruthenium complexes of 1,4-diazabutadiene ligands: synthesis, characterization and utilization as catalyst precursors for the oxidative coupling of amines to imines in air","New Journal of Chemistry","2023","47","27","12709","12717","10.1039/D3NJ01030A","","","0.71073","MoKα","","0.1093","0.0657","","","0.1358","0.1637","","","","","","1.0895","","","","has coordinates","285135","2023-07-11","00:26:11",""
"7062586","32.926","0.005","17.173","0.002","26.459","0.003","90","","113.647","0.004","90","","13705","3","273","2","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H59.4 Cl8 N4 O0.7 P2 Ru2 -","- C64 H50 Cl7 N4 P2 Ru2 -","- C512 H400 Cl56 N32 P16 Ru16 -","8","1","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Di-ruthenium complexes of 1,4-diazabutadiene ligands: synthesis, characterization and utilization as catalyst precursors for the oxidative coupling of amines to imines in air","New Journal of Chemistry","2023","47","27","12709","12717","10.1039/D3NJ01030A","","","0.71073","MoKα","","0.1813","0.1066","","","0.29","0.3686","","","","","","1.1102","","","","has coordinates","285135","2023-07-11","00:26:11",""
"7062587","32.5574","0.0015","17.2458","0.0006","26.4277","0.001","90","","112.892","0.003","90","","13669.9","1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Cl4 N4 O P2 Ru2 -","- C68 H62 Cl3 N4 P2 Ru2 -","- C544 H496 Cl24 N32 P16 Ru16 -","8","1","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Di-ruthenium complexes of 1,4-diazabutadiene ligands: synthesis, characterization and utilization as catalyst precursors for the oxidative coupling of amines to imines in air","New Journal of Chemistry","2023","47","27","12709","12717","10.1039/D3NJ01030A","","","0.71073","MoKα","","0.0617","0.0397","","","0.0909","0.1103","","","","","","1.1085","","","","has coordinates","285135","2023-07-11","00:26:11",""
"7062588","10.0205","0.0009","10.3299","0.0009","13.3685","0.0011","84.973","0.003","76.844","0.003","83.308","0.003","1335.6","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H65.333 Co3 N4 O14.667 -","- C46 H65.3332 Co3 N4 O14.6666 -","- C46 H65.3332 Co3 N4 O14.6666 -","1","0.5","","Bhunia, Sudip; Das, Pubali; Banerjee, Snehasis; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(iii/ii/iii) complexes of tetradentate N2O2 donor reduced Schiff base ligands","New Journal of Chemistry","2023","47","30","14202","14216","10.1039/D3NJ01829F","","","0.71073","MoKα","","0.0467","0.0363","","","0.101","0.1122","","","","","","1.098","","","","has coordinates,has disorder","285488","2023-08-05","09:19:47",""
"7062589","10.9231","0.0019","11.509","0.002","14.553","0.003","108.557","0.004","108.745","0.004","95.445","0.004","1602.3","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.04 H69.59 Cl1.59 Co3 N4 O16.78 S1.59 -","- C58.03 H69.594 Cl1.594 Co3 N4 O16.782 S1.594 -","- C58.03 H69.594 Cl1.594 Co3 N4 O16.782 S1.594 -","1","0.5","","Bhunia, Sudip; Das, Pubali; Banerjee, Snehasis; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(iii/ii/iii) complexes of tetradentate N2O2 donor reduced Schiff base ligands","New Journal of Chemistry","2023","47","30","14202","14216","10.1039/D3NJ01829F","","","0.71073","MoKα","","0.1024","0.0611","","","0.1527","0.1893","","","","","","1.074","","","","has coordinates,has disorder","285488","2023-08-05","09:19:47",""
"7062590","11.3402","0.0009","21.4904","0.0016","27.832","0.002","90","","93.975","0.003","90","","6766.5","0.9","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H77.5 Cl1.5 Co3 N4 O16.5 S1.5 -","- C62.5 H77.5 Cl1.5 Co3 N4 O16.5 S1.5 -","- C250 H310 Cl6 Co12 N16 O66 S6 -","4","1","","Bhunia, Sudip; Das, Pubali; Banerjee, Snehasis; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(iii/ii/iii) complexes of tetradentate N2O2 donor reduced Schiff base ligands","New Journal of Chemistry","2023","47","30","14202","14216","10.1039/D3NJ01829F","","","0.71073","MoKα","","0.1323","0.0734","","","0.1783","0.2145","","","","","","1.017","","","","has coordinates,has disorder","285488","2023-08-05","09:19:47",""
"7062591","20.009","0.004","20.009","0.004","15.363","0.003","90","","90","","120","","5326.7","1.8","296","2","296.15","","","","","","","","","6","P -3","-P 3","147","","","","- C78 H123 Dy4 N3 Ni3 O42 -","- C78 H99 Dy4 N3 Ni3 O31 -","- C156 H198 Dy8 N6 Ni6 O62 -","2","0.333333","","Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis","Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties","New Journal of Chemistry","2023","47","31","14868","14875","10.1039/D3NJ01092A","","","0.71073","MoKα","","0.0284","0.0227","","","0.0519","0.0553","","","","","","1.038","","","","has coordinates,has disorder","286173","2023-09-05","20:10:32",""
"7062592","20.046","0.004","20.046","0.004","15.42","0.003","90","","90","","120","","5366.2","1.8","296.15","","296.15","","","","","","","","","6","P -3","-P 3","147","","","","- C78 H119 N3 Ni3 O40 Tb4 -","- C78 H99 N3 Ni3 O31 Tb4 -","- C156 H198 N6 Ni6 O62 Tb8 -","2","0.333333","","Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis","Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties","New Journal of Chemistry","2023","47","31","14868","14875","10.1039/D3NJ01092A","","","0.71073","MoKα","","0.0289","0.0236","","","0.051","0.0544","","","","","","1.07","","","","has coordinates,has disorder","286173","2023-09-05","20:10:36",""
"7062593","20.033","0.004","20.033","0.004","15.367","0.003","90","","90","","120","","5340.9","1.8","296.15","","296.15","","","","","","","","","6","P -3","-P 3","147","","","","- C78 H123 Ho4 N3 Ni3 O42 -","- C78 H99 Ho4 N3 Ni3 O31 -","- C156 H198 Ho8 N6 Ni6 O62 -","2","0.333333","","Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis","Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties","New Journal of Chemistry","2023","47","31","14868","14875","10.1039/D3NJ01092A","","","0.71073","MoKα","","0.0262","0.0219","","","0.0492","0.0525","","","","","","1.061","","","","has coordinates,has disorder","286173","2023-09-05","20:10:49",""
"7062594","9.602","0.007","9.726","0.008","13.486","0.012","68.55","0.03","73.114","0.019","68.923","0.018","1075.3","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O -","- C25 H30 N2 O -","- C50 H60 N4 O2 -","2","1","","Shyam, Tandrim; Ghosh, Subhasis; Maji, Sangita; Mandal, Prosenjit; Das, Debasis","Solvent dependent ESIPT-based probe for optical recognition of Zr(iv) and Zn(ii)","New Journal of Chemistry","2023","47","30","14315","14322","10.1039/D3NJ01738A","","","0.71073","MoKα","","0.0647","0.0475","","","0.1523","0.1712","","","","","","1.222","","","","has coordinates","285492","2023-08-05","09:20:37",""
"7062595","13.601","0.003","12.138","0.002","13.945","0.003","90","","94.52","0.03","90","","2295","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 Cd I2 N2 -","- C7 H6 Cd I2 N2 -","- C56 H48 Cd8 I16 N16 -","8","1","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.0822","0.0526","","","0.1195","0.1275","","","","","","0.911","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062596","10.844","0.002","7.1695","0.0014","13.048","0.003","90","","93.9","0.03","90","","1012.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br2 Cd N2 -","- C7 H6 Br2 Cd N2 -","- C28 H24 Br8 Cd4 N8 -","4","1","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.1191","0.0605","","","0.1248","0.1398","","","","","","0.9","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062597","10.834","0.002","6.986","0.0014","12.941","0.003","90","","102.9","0.03","90","","954.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C36 H36 Cd2 N8 O8 -","2","0.5","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.0453","0.0331","","","0.0703","0.0724","","","","","","0.96","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062598","8.0625","0.0016","11.849","0.002","17.831","0.004","90","","90","","90","","1703.4","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cd N6 O6 -","- C14 H12 Cd N6 O6 -","- C56 H48 Cd4 N24 O24 -","4","0.5","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.0933","0.0498","","","0.1203","0.1392","","","","","","0.948","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062599","7.931","0.0016","8.7815","0.0018","9.6095","0.0019","102.03","0.03","108.05","0.03","112.01","0.03","548.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cd Cl2 N4 O10 -","- C14 H16 Cd Cl2 N4 O10 -","- C14 H16 Cd Cl2 N4 O10 -","1","0.5","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.0461","0.0428","","","0.1042","0.1055","","","","","","1.036","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062600","15.1687","0.0011","15.6842","0.001","6.438","0.0004","90","","101.468","0.002","90","","1501.08","0.17","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Kumar M, Naveen; Lyngkhoi, Deikrisha Lyngdoh; Gaikwad, Sudhakar; Samanta, Debabrata; Khatua, Snehadrinarayan; Pramanik, Susnata","The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones","New Journal of Chemistry","2023","47","32","15066","15075","10.1039/D3NJ02198J","","","0.71073","MoKα","","0.065","0.0511","","","0.1119","0.1188","","","","","","1.075","","","","has coordinates","286160","2023-09-05","20:07:40",""
"7062601","26.8526","0.0011","26.8526","0.0011","5.057","0.0003","90","","90","","90","","3646.4","0.3","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C22 H21 N3 O2 -","- C22 H19 N3 O -","- C176 H152 N24 O8 -","8","1","","Kumar M, Naveen; Lyngkhoi, Deikrisha Lyngdoh; Gaikwad, Sudhakar; Samanta, Debabrata; Khatua, Snehadrinarayan; Pramanik, Susnata","The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones","New Journal of Chemistry","2023","47","32","15066","15075","10.1039/D3NJ02198J","","","0.71073","MoKα","","0.0988","0.0681","","","0.1363","0.1502","","","","","","1.095","","","","has coordinates","286160","2023-09-05","20:07:40",""
"7062602","24.6783","0.0009","12.9905","0.0004","5.0465","0.0002","90","","90","","90","","1617.82","0.1","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Kumar M, Naveen; Lyngkhoi, Deikrisha Lyngdoh; Gaikwad, Sudhakar; Samanta, Debabrata; Khatua, Snehadrinarayan; Pramanik, Susnata","The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones","New Journal of Chemistry","2023","47","32","15066","15075","10.1039/D3NJ02198J","","","0.71073","MoKα","","0.062","0.0485","","","0.107","0.1128","","","","","","1.107","","","","has coordinates","286160","2023-09-05","20:07:40",""
"7062603","19.004","0.002","10.454","0.001","10.171","0.001","90","","92.91","0.01","90","","2018","0.3","80","0.5","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Eu F18 O9 S2 -","- C8 H2 Eu F18 O9 S2 -","- C32 H8 Eu4 F72 O36 S8 -","4","1","","Starynowicz, Przemysław","Europium(ii) bis[tetrafluoro-2-(pentafluoroethoxy)ethanesulfonate] – structure and spectroscopic properties of a new near-UV emitter","New Journal of Chemistry","2023","47","35","16368","16373","10.1039/D3NJ02429F","","x-ray","0.71073","MoKα","","0.0715","0.0554","","","0.1167","0.1281","","","","","","1.079","","","","has coordinates","286778","2023-10-06","00:33:46",""
"7062604","17.953","0.004","24.722","0.006","10.768","0.003","90","","103.58","0.03","90","","4646","2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Eu F36 Na O23 S4 -","- C16 Eu F36 Na O23 S4 -","- C64 Eu4 F144 Na4 O92 S16 -","4","1","","Starynowicz, Przemysław","Europium(ii) bis[tetrafluoro-2-(pentafluoroethoxy)ethanesulfonate] – structure and spectroscopic properties of a new near-UV emitter","New Journal of Chemistry","2023","47","35","16368","16373","10.1039/D3NJ02429F","","x-ray","0.71073","MoKα","","0.0853","0.0515","","","0.1242","0.1391","","","","","","1.018","","","","has coordinates","286778","2023-10-06","00:33:47",""
"7062605","16.934","0.006","12.916","0.004","32.216","0.016","90","","96.17","0.06","90","","7005","5","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Eu F27 O18 S3 -","- C12 Eu F27 O18 S3 -","- C96 Eu8 F216 O144 S24 -","8","2","","Starynowicz, Przemysław","Europium(ii) bis[tetrafluoro-2-(pentafluoroethoxy)ethanesulfonate] – structure and spectroscopic properties of a new near-UV emitter","New Journal of Chemistry","2023","47","35","16368","16373","10.1039/D3NJ02429F","","x-ray","0.71073","MoKα","","0.1538","0.0927","","","0.2194","0.2479","","","","","","1.062","","","","has coordinates,has disorder","286778","2023-10-06","00:33:47",""
"7062606","10.598","0.002","9.078","0.0018","23.574","0.005","90","","100.2","0.03","90","","2232.2","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cu N8 O5 -","- C23 H18 Cu N8 O5 -","- C92 H72 Cu4 N32 O20 -","4","1","","Tupolova, Yulia P.; Popov, Leonid D.; Vlasenko, Valery G.; Gishko, Konstantin B.; Kapustina, Anna A.; Berejnaya, Alexandra G.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Lider, Elizaveta V.; Lazarenko, Vladimir A.; Bachurin, Stanislav S.; Shcherbakov, Igor N.","Crystal structure and cytotoxic activity of Cu(ii) complexes with bis-benzoxazolylhydrazone of 2,6-diacetylpyridine","New Journal of Chemistry","2023","47","31","14972","14985","10.1039/D3NJ02445H","","","0.745","synchrotron","","0.0462","0.0392","","","0.1013","0.1063","","","","","","1.053","","","","has coordinates","286174","2023-09-05","20:11:01",""
"7062607","10.401","0.002","8.687","0.0017","24.368","0.005","90","","97.27","0.03","90","","2184","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br Cu N7 O2 -","- C23 H18 Br Cu N7 O2 -","- C92 H72 Br4 Cu4 N28 O8 -","4","1","","Tupolova, Yulia P.; Popov, Leonid D.; Vlasenko, Valery G.; Gishko, Konstantin B.; Kapustina, Anna A.; Berejnaya, Alexandra G.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Lider, Elizaveta V.; Lazarenko, Vladimir A.; Bachurin, Stanislav S.; Shcherbakov, Igor N.","Crystal structure and cytotoxic activity of Cu(ii) complexes with bis-benzoxazolylhydrazone of 2,6-diacetylpyridine","New Journal of Chemistry","2023","47","31","14972","14985","10.1039/D3NJ02445H","","","0.745","synchrotron","","0.1085","0.056","","","0.1238","0.1534","","","","","","1.025","","","","has coordinates","286174","2023-09-05","20:11:01",""
"7062608","7.28","0.0015","13.06","0.003","14.97","0.003","80.19","0.03","83.7","0.03","73.99","0.03","1345.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl Cu N7 O7 -","- C23 H20 Cl Cu N7 O7 -","- C46 H40 Cl2 Cu2 N14 O14 -","2","1","","Tupolova, Yulia P.; Popov, Leonid D.; Vlasenko, Valery G.; Gishko, Konstantin B.; Kapustina, Anna A.; Berejnaya, Alexandra G.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Lider, Elizaveta V.; Lazarenko, Vladimir A.; Bachurin, Stanislav S.; Shcherbakov, Igor N.","Crystal structure and cytotoxic activity of Cu(ii) complexes with bis-benzoxazolylhydrazone of 2,6-diacetylpyridine","New Journal of Chemistry","2023","47","31","14972","14985","10.1039/D3NJ02445H","","","0.745","synchrotron","","0.0703","0.0528","","","0.1326","0.1441","","","","","","0.989","","","","has coordinates","286174","2023-09-05","20:11:01",""
"7062609","7.343","0.003","14.561","0.006","12.347","0.005","90","","96.381","0.011","90","","1312","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl2 F N3 O Ru -","- C10 H10 Cl2 F N3 O Ru -","- C40 H40 Cl8 F4 N12 O4 Ru4 -","4","0.5","","Mikhailov, Artem A.; Brovko, Anastasiya O.; Kuratieva, Nataliya V.; Eltsov, Ilia V.; Schaniel, Dominik; Kostin, Gennadiy A.","The influence of hydroxide to fluoride substitution in the trans-position to NO on the photochemistry of ruthenium nitrosyl complexes in the solid state and in solution","New Journal of Chemistry","2023","47","33","15506","15513","10.1039/D3NJ02696E","","","0.71073","MoKα","","0.0668","0.0452","","","0.1271","0.1381","","","","","","1.108","","","","has coordinates,has disorder","286162","2023-09-05","20:07:57",""
"7062610","6.8473","0.0006","59.627","0.005","15.0537","0.0015","90","","93.948","0.003","90","","6131.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H74 Cl2 Cu2 N5 O12 -","- C61 H74 Cl2 Cu2 N5 O12 -","- C244 H296 Cl8 Cu8 N20 O48 -","4","1","","Mandal, Subrata; Naskar, Rahul; Mukherjee, Rimi; Mondal, Apurba Sau; Das, Akash; Murmu, Nabendu; Mondal, Tapan K.","Synthesis of a new benzoate bridged NNO tethered copper(ii) complex: exploration of its bio, catalytic and anticancer activities","New Journal of Chemistry","2023","47","32","15267","15282","10.1039/D3NJ01806G","","","0.71073","MoKα","","0.1008","0.0761","","","0.2074","0.2261","","","","","","1.077","","","","has coordinates","286156","2023-09-05","20:06:40",""
"7062611","11.818","0.004","17.795","0.007","18.503","0.007","76.931","0.014","72.258","0.013","73.416","0.013","3510","2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Er2 N12 O2 -","- C76 H86 Er2 N12 O2 -","- C152 H172 Er4 N24 O4 -","2","1","","She, Yeye; Lu, Yanhua; Jia, Chaohong; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Organolanthanide η1- and η5-pyrrolyl half-sandwich compounds: synthesis, structures, and magnetic properties","New Journal of Chemistry","2023","47","33","15650","15657","10.1039/D3NJ02225K","","","1.34138","GaKα","","0.087","0.0713","","","0.1985","0.215","","","","","","1.123","","","","has coordinates,has disorder","286168","2023-09-05","20:09:10",""
"7062612","11.5631","0.0004","12.6486","0.0004","19.3347","0.0006","95.829","0.001","102.281","0.001","95.05","0.001","2731.3","0.15","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Dy2 N12 O4 -","- C56 H70 Dy2 N12 O4 -","- C112 H140 Dy4 N24 O8 -","2","1","","She, Yeye; Lu, Yanhua; Jia, Chaohong; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Organolanthanide η1- and η5-pyrrolyl half-sandwich compounds: synthesis, structures, and magnetic properties","New Journal of Chemistry","2023","47","33","15650","15657","10.1039/D3NJ02225K","","","0.71073","MoKα","","0.0323","0.028","","","0.0699","0.0745","","","","","","1.061","","","","has coordinates,has disorder","286168","2023-09-05","20:09:10",""
"7062613","14.4788","0.0006","20.2131","0.0008","16.959","0.0007","90","","114.27","0.001","90","","4524.6","0.3","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Ho2 N12 O2 -","- C48 H54 Ho2 N12 O2 -","- C192 H216 Ho8 N48 O8 -","4","1","","She, Yeye; Lu, Yanhua; Jia, Chaohong; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Organolanthanide η1- and η5-pyrrolyl half-sandwich compounds: synthesis, structures, and magnetic properties","New Journal of Chemistry","2023","47","33","15650","15657","10.1039/D3NJ02225K","","","1.34139","GaKα","","0.0387","0.038","","","0.0989","0.0995","","","","","","1.078","","","","has coordinates","286168","2023-09-05","20:09:10",""
"7062614","11.7299","0.0004","15.2544","0.0005","14.7882","0.0005","90","","90.931","0.001","90","","2645.74","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Mo2 N4 O7 -","- C26 H26 Mo2 N4 O7 -","- C104 H104 Mo8 N16 O28 -","4","1","","Machado, Paula M. A.; Barreto, Juliana M.; Motta, Ramon da S.; Rodrigues, José Guilherme A.; de Souza, Wladmir F.; Maldonado, Igor A. V.; Allão Cassaro, Rafael A.; dos Santos, Gustavo R. C.; Carneiro, Gabriel R. A.; Pereira, Henrique M. G.; D’Elia, Eliane; Horn, Adolfo; Lachter, Elizabeth Roditi","Catalytic activity of a new dioxidomolybdenum(vi) complex with a bipodal N2O-donor ligand in sulfur compound oxidation","New Journal of Chemistry","2023","47","30","14123","14133","10.1039/D2NJ06227E","","","0.71073","MoKα","","0.0311","0.0261","","","0.0633","0.0683","","","","","","1.1","","","","has coordinates","285491","2023-08-05","09:20:24",""
"7062615","14.9766","0.0003","15.6463","0.0003","14.7578","0.0003","90","","107.475","0.002","90","","3298.57","0.12","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N3 O3 P Pd S -","- C36 H36 N3 O3 P Pd S -","- C144 H144 N12 O12 P4 Pd4 S4 -","4","1","","Haribabu, Jebiti; Balakrishnan, Nithya; Swaminathan, Srividya; Dorairaj, Dorothy Priyanka; Azam, Mohammad; Subarkhan, Mohamed Kasim Mohamed; Chang, Yu-Lun; Hsu, Sodio C. N.; Štarha, Pavel; Karvembu, Ramasamy","Michael addition-driven synthesis of cytotoxic palladium(ii) complexes from chromone thiosemicarbazones: investigation of anticancer activity through in vitro and in vivo studies","New Journal of Chemistry","2023","47","33","15748","15759","10.1039/D3NJ02067C","","x-ray","0.71073","MoKα","","0.0364","0.031","","","0.0657","0.0676","","","","","","1.086","","","","has coordinates","286163","2023-09-05","20:08:33",""
"7062616","3.7727","0.0007","12.743","0.003","11.4596","0.0019","90","","94.32","0.017","90","","549.36","0.19","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Cu2 N2 -","- C10 H8 Cl2 Cu2 N2 -","- C20 H16 Cl4 Cu4 N4 -","2","0.5","","Yang, Shaolong; Chen, Yuhuan; Li, Shixiong; Chen, Huijun","Efficient photocatalytic performance and the mechanism of copper(i) metal–organic framework nanosheets","New Journal of Chemistry","2023","47","32","15348","15356","10.1039/D3NJ02728G","","x-ray","1.54184","CuKα","","0.1028","0.0949","","","0.2351","0.2526","","","","","","1.6567","","","","has coordinates","286157","2023-09-05","20:06:47",""
"7062617","20.57","0.0018","10.3975","0.0011","16.1785","0.0018","90","","90","","90","","3460.2","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H41 Co N7 O11 -","- C30 H41 Co N7 O11 -","- C120 H164 Co4 N28 O44 -","4","1","","Kukovec, Boris-Marko; Rončević, Ivana Škugor; Vladislavić, Nives; Chatterjee, Nabanita; Sokol, Vesna; Oliver, Clive L.","A cobalt(ii) coordination polymer with 6-aminonicotinate and 1,2-bis(4-pyridyl)ethane as a new electrochemical sensor for determination of dopamine","New Journal of Chemistry","2023","47","33","15701","15710","10.1039/D3NJ02486E","","","0.71073","MoKα","","0.0396","0.037","","","0.0667","0.0674","","","","","","1.17","","","","has coordinates","286167","2023-09-05","20:09:00",""
"7062618","9.587","0.0001","16.5558","0.0001","10.7117","0.0001","90","","111.072","0.001","90","","1586.47","0.03","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Rahman, Noimur; Kushwah, Nisha; Priyadarsini, K. Indira","A redox active organodiselenide as an efficacious catalyst for the synthesis of oxygen-containing heterocyclic compounds","New Journal of Chemistry","2023","47","33","15686","15693","10.1039/D3NJ01423A","","x-ray","1.54184","CuKα","","0.0624","0.0395","","","0.1087","0.1347","","","","","","1.147","","","","has coordinates","286161","2023-09-05","20:07:52",""
"7062619","9.4113","0.0001","16.8257","0.0001","10.9139","0.0001","90","","112.124","0.001","90","","1600.99","0.03","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Rahman, Noimur; Kushwah, Nisha; Priyadarsini, K. Indira","A redox active organodiselenide as an efficacious catalyst for the synthesis of oxygen-containing heterocyclic compounds","New Journal of Chemistry","2023","47","33","15686","15693","10.1039/D3NJ01423A","","x-ray","1.54184","CuKα","","0.107","0.0655","","","0.1908","0.2959","","","","","","1.085","","","","has coordinates","286161","2023-09-05","20:07:52",""
"7062620","15.8444","0.0001","6.535","0.0001","16.2557","0.0001","90","","98.636","0.001","90","","1664.08","0.03","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Rahman, Noimur; Kushwah, Nisha; Priyadarsini, K. Indira","A redox active organodiselenide as an efficacious catalyst for the synthesis of oxygen-containing heterocyclic compounds","New Journal of Chemistry","2023","47","33","15686","15693","10.1039/D3NJ01423A","","x-ray","1.54184","CuKα","","0.0904","0.0658","","","0.2053","0.2688","","","","","","1.15","","","","has coordinates","286161","2023-09-05","20:07:52",""
"7062621","7.6026","0.0003","15.4311","0.0006","13.8687","0.0006","90","","96.588","0.002","90","","1616.28","0.11","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Co N5 O8 -","- C11 H15 Co N5 O8 -","- C44 H60 Co4 N20 O32 -","4","1","","Lv, Wei; Chen, Lei; Chen, Xue-Tai; Yan, Hong; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling","Structures and magnetic anisotropies of two seven-coordinate Co(ii)–nitrate complexes showing slow magnetic relaxation","New Journal of Chemistry","2023","47","33","15553","15560","10.1039/D3NJ02160B","","","0.71073","MoKα","","0.0326","0.028","","","0.0699","0.073","","","","","","1.044","","","","has coordinates","286164","2023-09-05","20:08:39",""
"7062622","9.7797","0.0009","10.374","0.0011","10.8769","0.0009","92.616","0.004","103.465","0.003","112.947","0.003","976.72","0.16","193.15","","193.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 Co N6 O6 S2 -","- C13 H18 Co N6 O6 S2 -","- C26 H36 Co2 N12 O12 S4 -","2","1","","Lv, Wei; Chen, Lei; Chen, Xue-Tai; Yan, Hong; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling","Structures and magnetic anisotropies of two seven-coordinate Co(ii)–nitrate complexes showing slow magnetic relaxation","New Journal of Chemistry","2023","47","33","15553","15560","10.1039/D3NJ02160B","","","0.71073","MoKα","","0.0373","0.0331","","","0.0877","0.0911","","","","","","1.048","","","","has coordinates","286164","2023-09-05","20:08:39",""
"7062623","10.7501","0.0016","11.77","0.0017","13.702","0.002","100.703","0.003","92.255","0.003","106.731","0.003","1623.5","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H31 Co Mo4 N6 O22.5 -","- C15 H24 Co Mo4 N6 O19 -","- C30 H48 Co2 Mo8 N12 O38 -","2","1","","Wang, Xiu-Li; Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Chen, Ke-Ke","Polyoxometalate-based metal–organic supramolecular architectures derived from two new pyrimidine-amide ligands as supercapacitors and multifunctional electrochemical sensors","New Journal of Chemistry","2023","47","36","17051","17059","10.1039/D3NJ02544F","","","0.71073","MoKα","","0.0893","0.0564","","","0.1214","0.1352","","","","","","1.0425","","","","has coordinates","286772","2023-10-06","00:31:26",""
"7062624","12.8989","0.0004","14.0884","0.0004","18.8508","0.0005","111.27","0.001","91.299","0.001","113.707","0.001","2865.34","0.15","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H31.4 Cl Cu Mo12 N8 O47.7 P -","- C22 H26 Cl Cu Mo12 N8 O45 P -","- C44 H52 Cl2 Cu2 Mo24 N16 O90 P2 -","2","1","","Wang, Xiu-Li; Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Chen, Ke-Ke","Polyoxometalate-based metal–organic supramolecular architectures derived from two new pyrimidine-amide ligands as supercapacitors and multifunctional electrochemical sensors","New Journal of Chemistry","2023","47","36","17051","17059","10.1039/D3NJ02544F","","x-ray","0.71073","MoKα","K-L~3~","0.0319","0.0252","","","0.0563","0.0605","","","","","","1.108","","","","has coordinates,has disorder","286772","2023-10-06","00:31:26",""
"7062625","12.961","0.004","9.431","0.003","13.904","0.004","90","","119.71","0.015","90","","1476.1","0.8","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Cl12 Cu N6 O2 -","- C14 H16 Cl12 Cu N6 O2 -","- C28 H32 Cl24 Cu2 N12 O4 -","2","0.25","","Garazade, Ismayil M.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Nunes, Ana V. M.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)","New Journal of Chemistry","2023","47","34","15856","15861","10.1039/D3NJ02994H","","","0.71073","MoKα","","0.0311","0.0232","","","0.0497","0.0526","","","","","","1.015","","","","has coordinates,has disorder","286175","2023-09-05","20:11:15",""
"7062626","19.7","0.0012","11.812","0.0006","17.6378","0.0018","90","","112.803","0.002","90","","3783.5","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl12 N10 O2 Zn -","- C24 H26 Cl12 N10 O2 Zn -","- C96 H104 Cl48 N40 O8 Zn4 -","4","0.5","","Garazade, Ismayil M.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Nunes, Ana V. M.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)","New Journal of Chemistry","2023","47","34","15856","15861","10.1039/D3NJ02994H","","","0.71073","MoKα","","0.0481","0.0339","","","0.074","0.0806","","","","","","1.051","","","","has coordinates","286175","2023-09-05","20:11:16",""
"7062627","5.8826","0.0007","11.8884","0.0014","12.3119","0.0014","112.979","0.004","96.81","0.004","102.216","0.004","755.14","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cl12 Cu N8 O2 -","- C14 H18 Cl12 Cu N8 O2 -","- C14 H18 Cl12 Cu N8 O2 -","1","0.5","","Garazade, Ismayil M.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Nunes, Ana V. M.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)","New Journal of Chemistry","2023","47","34","15856","15861","10.1039/D3NJ02994H","","","0.71073","MoKα","","0.0924","0.043","","","0.062","0.0737","","","","","","0.946","","","","has coordinates","286175","2023-09-05","20:11:16",""
"7062628","8.7888","0.0007","12.0326","0.0008","15.2596","0.0009","79.677","0.002","82.623","0.002","69.903","0.002","1487.04","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl12 N10 Zn2 -","- C14 H10 Cl12 N10 Zn2 -","- C28 H20 Cl24 N20 Zn4 -","2","1","","Garazade, Ismayil M.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Nunes, Ana V. M.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)","New Journal of Chemistry","2023","47","34","15856","15861","10.1039/D3NJ02994H","","","0.71073","MoKα","","0.0444","0.0376","","","0.0876","0.0924","","","","","","1.067","","","","has coordinates,has disorder","286175","2023-09-05","20:11:16",""
"7062629","10.5549","0.0009","14.5492","0.0013","8.7409","0.0007","90","","94.492","0.006","90","","1338.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Yuan, Zi-Yi; Zhang, Zheng-Qian; Liang, Jun-Rong; Lin, Chu-Yan; Peng, Dan-Li; Cui, Bao-Dong; Mou, Xue-Qing; Zhang, Yun; Chen, Yong-Zheng","A facile one-pot synthesis of N-acyl-1-cyano-1,2,3,4-tetrahydroisoquinoline via a photoredox and Reissert-type reaction from 1,2,3,4-tetrahydroisoquinolines","New Journal of Chemistry","2023","47","34","15847","15851","10.1039/D3NJ02600K","","x-ray","0.71073","MoKα","","0.0569","0.043","","","0.0906","0.1006","","","","","","1.059","","","","has coordinates","286176","2023-09-05","20:11:23",""
"7062630","7.1562","0.0012","8.1948","0.0014","9.4259","0.0017","102.299","0.015","97.775","0.015","99.273","0.014","524.71","0.17","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C24 H24 N4 O2 -","2","1","","Yuan, Zi-Yi; Zhang, Zheng-Qian; Liang, Jun-Rong; Lin, Chu-Yan; Peng, Dan-Li; Cui, Bao-Dong; Mou, Xue-Qing; Zhang, Yun; Chen, Yong-Zheng","A facile one-pot synthesis of N-acyl-1-cyano-1,2,3,4-tetrahydroisoquinoline via a photoredox and Reissert-type reaction from 1,2,3,4-tetrahydroisoquinolines","New Journal of Chemistry","2023","47","34","15847","15851","10.1039/D3NJ02600K","","x-ray","0.71073","MoKα","","0.0844","0.0566","","","0.1193","0.1435","","","","","","0.965","","","","has coordinates","286176","2023-09-05","20:11:29",""
"7062631","26.7047","0.0008","10.0021","0.0003","9.1754","0.0002","90","","90","","90","","2450.78","0.12","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H18 Cl8 Fe2 N4 -","- C11 H18.78 Cl8 Fe2 N4 -","- C44 H75.12 Cl32 Fe8 N16 -","4","1","","Zafar, Anham; Din, Imtiaz-ud-; Batool, Saadia; Palgrave, Robert G.; Yousuf, Sammer","Deep extractive and catalytic oxidative desulfurization of liquid fuels by using iron(iii) based dication ionic liquids","New Journal of Chemistry","2023","47","33","15731","15747","10.1039/D3NJ02179C","","","1.54178","CuKα","","0.0824","0.0734","","","0.1953","0.2056","","","","","","1.087","","","","has coordinates,has disorder","286166","2023-09-05","20:08:52",""
"7062632","16.215","0.003","12.467","0.003","10.233","0.002","90","","94.01","0.03","90","","2063.6","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 La O11 -","- C21 H19 La O11 -","- C84 H76 La4 O44 -","4","1","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","","0.71073","Synchrotron","","0.0226","0.0207","","","0.0534","0.054","","","","","","1.096","","","","has coordinates","286767","2023-10-06","00:30:46",""
"7062633","6.3612","0.0001","10.0317","0.0002","19.6952","0.0009","104.267","0.003","93.474","0.003","96.567","0.002","1204.91","0.07","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 Ce O14 -","- C21 H25 Ce O14 -","- C42 H50 Ce2 O28 -","2","1","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.1144","0.1128","","","0.2826","0.2855","","","","","","1.358","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062634","10.41","0.0003","14.9","0.0005","15.51","0.0005","90","","105.961","0.001","90","","2313","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Gd2 O24 -","- C42 H42 Gd2 O24 -","- C84 H84 Gd4 O48 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","","0.71073","Synchrotron","","0.0205","0.0199","","","0.0516","0.052","","","","","","1.138","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062635","10.4168","0.0003","14.9277","0.0005","15.5044","0.0005","90","","105.959","0.001","90","","2318","0.13","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Eu2 O24 -","- C42 H42 Eu2 O24 -","- C84 H84 Eu4 O48 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.037","0.0355","","","0.0975","0.0988","","","","","","1.06","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062636","12.0467","0.0003","14.184","0.0004","14.6821","0.0004","93.186","0.001","102.745","0.001","105.562","0.001","2339.57","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H84 O48 Pr4 -","- C84 H84 O48 Pr4 -","- C84 H84 O48 Pr4 -","1","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","0.71073","MoKα","","0.0429","0.0314","","","0.0736","0.0785","","","","","","1.027","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062637","10.4033","0.0003","14.881","0.0005","15.5628","0.0005","90","","105.972","0.001","90","","2316.29","0.13","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Dy2 O24 -","- C42 H42 Dy2 O24 -","- C84 H84 Dy4 O48 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","0.71073","MoKα","","0.0349","0.0319","","","0.0793","0.0821","","","","","","1.119","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062638","10.3928","0.0001","14.9032","0.0002","15.4634","0.0002","90","","105.868","0.001","90","","2303.8","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 O24 Tb2 -","- C42 H42 O24 Tb2 -","- C84 H84 O48 Tb4 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.0271","0.0256","","","0.0642","0.0649","","","","","","1.05","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062639","9.0067","0.0007","11.0069","0.0009","12.9695","0.001","91.895","0.001","108.879","0.002","93.526","0.001","1212.36","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 O26 Tb2 -","- C42 H46 O26 Tb2 -","- C42 H46 O26 Tb2 -","1","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","","0.71073","MoKα","","0.0283","0.0278","","","0.0719","0.0723","","","","","","1.071","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062640","10.7986","0.0009","11.4256","0.0009","11.6045","0.0009","90.629","0.002","100.564","0.002","105.475","0.001","1353.76","0.19","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O34 Y2 -","- C42 H62 O34 Y2 -","- C42 H62 O34 Y2 -","1","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","","0.71073","MoKα","","0.0414","0.0351","","","0.094","0.0969","","","","","","1.052","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062641","10.3692","0.0003","14.8578","0.0005","15.4168","0.0005","90","","105.891","0.001","90","","2284.4","0.13","123","0.13","123","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Ho2 O24 -","- C42 H42 Ho2 O24 -","- C84 H84 Ho4 O48 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.0739","0.075","","","","","","1.12","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062642","10.8167","0.0002","11.3009","0.0002","11.4532","0.0001","90.501","0.001","101.723","0.001","105.302","0.001","1319.33","0.04","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 Ho2 O34 -","- C42 H62 Ho2 O34 -","- C42 H62 Ho2 O34 -","1","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.032","0.0318","","","0.0824","0.0826","","","","","","1.083","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062643","10.3733","0.0001","14.8831","0.0001","15.4308","0.0001","90","","105.863","0.001","90","","2291.59","0.03","122.97","0.1","122.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 O24 Y2 -","- C42 H42 O24 Y2 -","- C84 H84 O48 Y4 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.0255","0.0253","","","0.07","0.0702","","","","","","1.106","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062644","5.2994","0.0001","12.1464","0.0002","17.048","0.0003","92.421","0.002","97.081","0.002","101.336","0.002","1065.25","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 O10 Y -","- C21 H17 O10 Y -","- C42 H34 O20 Y2 -","2","1","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","1.54184","CuKα","","0.0399","0.0386","","","0.1063","0.1076","","","","","","1.093","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062645","10.3698","0.0003","14.8378","0.0005","15.5102","0.0005","90","","106.029","0.001","90","","2293.7","0.13","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Er2 O24 -","- C42 H42 Er2 O24 -","- C84 H84 Er4 O48 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","","0.71073","MoKα","","0.036","0.0325","","","0.0846","0.0872","","","","","","1.07","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062646","10.3616","0.0003","14.8065","0.0005","15.4569","0.0005","90","","105.893","0.001","90","","2280.74","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 O24 Yb2 -","- C42 H42 O24 Yb2 -","- C84 H84 O48 Yb4 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","","0.71073","MoKα","","0.0365","0.0333","","","0.0853","0.0874","","","","","","1.046","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062647","10.8172","0.0002","11.3109","0.0002","11.4457","0.0001","90.531","0.001","101.725","0.001","105.321","0.001","1319.51","0.04","123.01","0.13","123.01","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 Er2 O34 -","- C42 H62 Er2 O34 -","- C42 H62 Er2 O34 -","1","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","0.71073","MoKα","","0.0271","0.0242","","","0.0497","0.0511","","","","","","1.037","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062648","10.3683","0.0003","14.8139","0.0005","15.4882","0.0005","90","","105.921","0.001","90","","2287.66","0.13","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Lu2 O24 -","- C42 H42 Lu2 O24 -","- C84 H84 Lu4 O48 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","0.71073","MoKα","","0.0338","0.0305","","","0.0815","0.0844","","","","","","1.057","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062649","17.3213","0.0006","13.176","0.0004","19.1799","0.0006","90","","113.241","0.001","90","","4022.1","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H70 N8 O22 Tb2 -","- C82 H70 N8 O22 Tb2 -","- C164 H140 N16 O44 Tb4 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","0.71073","MoKα","","0.0685","0.035","","","0.0716","0.0836","","","","","","1","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062650","17.3138","0.0005","13.1899","0.0004","19.1424","0.0006","90","","113.166","0.001","90","","4019","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H70 Dy2 N8 O22 -","- C82 H70 Dy2 N8 O22 -","- C164 H140 Dy4 N16 O44 -","2","0.5","","Moon, Josh; Guo, Zhifang; Beaumont, Owen A.; Hamilton, Sophie; Bousrez, Guillaume; Mottram, Eleanor; Wang, Jun; Somers, Anthony E.; Deacon, Glen B.; Junk, Peter C.","4-Hydroxybenzoato-rare earth(iii) complexes – syntheses, a structural goldmine from coordination diversity and improved corrosion inhibition behaviour","New Journal of Chemistry","2023","47","36","16843","16854","10.1039/D3NJ02735J","","x-ray","0.71073","MoKα","","0.0623","0.0367","","","0.085","0.1014","","","","","","1.047","","","","has coordinates","286767","2023-10-06","00:30:47",""
"7062651","8.615","0.005","11.155","0.006","17.89","0.011","80.41","0.03","79.43","0.03","67.43","0.03","1551.8","1.6","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 B10 P -","- C34 H33 B10 P -","- C68 H66 B20 P2 -","2","1","","Wang, Li; Chen, Rong-Jian; Yan, Jian-Feng; Yuan, Yao-Feng","Investigating stimuli-responsive luminescence and aggregation-induced emission properties of o-carborane-based luminophores modified with phenanthrene or anthracene","New Journal of Chemistry","2023","47","34","16129","16135","10.1039/D3NJ02815A","","","0.71073","MoKα","","0.0902","0.0474","","","0.1037","0.12","","","","","","1.0606","","","","has coordinates","286177","2023-09-05","20:12:38",""
"7062652","20.073","0.01","22.99","0.01","16.078","0.007","90","","113.578","0.014","90","","6800","5","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 B10 P -","- C34 H33 B10 P -","- C272 H264 B80 P8 -","8","1","","Wang, Li; Chen, Rong-Jian; Yan, Jian-Feng; Yuan, Yao-Feng","Investigating stimuli-responsive luminescence and aggregation-induced emission properties of o-carborane-based luminophores modified with phenanthrene or anthracene","New Journal of Chemistry","2023","47","34","16129","16135","10.1039/D3NJ02815A","","","0.71073","MoKα","","0.0804","0.0473","","","0.1089","0.1223","","","","","","1.041","","","","has coordinates","286177","2023-09-05","20:12:45",""
"7062653","11.4493","0.0012","12.8915","0.0014","13.2464","0.0014","63.033","0.003","88.703","0.004","76.711","0.004","1688.4","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H33.5 B10 Cl1.5 O P -","- C34 H33 B10 O P -","- C68 H66 B20 O2 P2 -","2","1","","Wang, Li; Chen, Rong-Jian; Yan, Jian-Feng; Yuan, Yao-Feng","Investigating stimuli-responsive luminescence and aggregation-induced emission properties of o-carborane-based luminophores modified with phenanthrene or anthracene","New Journal of Chemistry","2023","47","34","16129","16135","10.1039/D3NJ02815A","","","0.71073","MoKα","","0.0772","0.0518","","","0.1199","0.1294","","","","","","1.026","","","","has coordinates","286177","2023-09-05","20:12:45",""
"7062654","11.424","0.014","13.228","0.017","13.267","0.015","117.72","0.06","97.28","0.07","91.11","0.08","1753","4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 B10 O P -","- C34 H33 B10 O P -","- C68 H66 B20 O2 P2 -","2","1","","Wang, Li; Chen, Rong-Jian; Yan, Jian-Feng; Yuan, Yao-Feng","Investigating stimuli-responsive luminescence and aggregation-induced emission properties of o-carborane-based luminophores modified with phenanthrene or anthracene","New Journal of Chemistry","2023","47","34","16129","16135","10.1039/D3NJ02815A","","","0.71073","MoKα","","0.1326","0.0687","","","0.1614","0.184","","","","","","1.024","","","","has coordinates,has disorder","286177","2023-09-05","20:12:45",""
"7062655","11.003","0.002","21.458","0.004","18.698","0.003","90","","95.346","0.006","90","","4395.4","1.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 N4 O4 Ru2 -","- C44 H44 Cl2 N4 O4 Ru2 -","- C176 H176 Cl8 N16 O16 Ru8 -","4","1","","Monika, Sankar; Ramesh, Rengan","New dinuclear arene Ru(ii) benzilbis(furoylhydrazone) complexes: synthesis, structure, and anticancer activity","New Journal of Chemistry","2023","47","33","15622","15630","10.1039/D3NJ02869K","","","0.71073","MoKα","","0.085","0.0589","","","0.1394","0.1612","","","","","","1.077","","","","has coordinates","286165","2023-09-05","20:08:46",""
"7062656","11.8542","0.0007","25.7848","0.0014","16.0771","0.0009","90","","105.415","0.002","90","","4737.3","0.5","100","2","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H41 Cl2 F6 Mn2 N6 O6 P -","- C43 H41 Cl2 F6 Mn2 N6 O6 P -","- C172 H164 Cl8 F24 Mn8 N24 O24 P4 -","4","1","","Mautner, Franz A.; Fischer, Roland C.; Torvisco, Ana; Nakashima, Kai; Handa, Makoto; Mikuriya, Masahiro; Salem, Nahed M. H.; Overby, Gabriel J.; Maier, Madison R.; Louka, Febee R.; Massoud, Salah S.","Structure and magnetic characterization of some bicompartmental [N6O2] divalent metal(ii) complexes using bis(phenolato) ligands bearing two pendant bis(pyridyl) amine arms","New Journal of Chemistry","2023","47","33","15638","15649","10.1039/D3NJ02380J","","","0.71073","MoKα","","0.1","0.0462","","","0.1061","0.1372","","","","","","1.03","","","","has coordinates","286169","2023-09-05","20:09:22",""
"7062657","13.7082","0.0006","13.8145","0.0006","14.4212","0.0006","77.24","0.002","69.673","0.002","72.143","0.002","2417.44","0.18","99.99","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C41.24 H41.39 Cl2 F12 N6 O5.45 P2 Zn2 -","- C41.245 H41.396 Cl2 F12 N6 O5.453 P2 Zn2 -","- C82.49 H82.792 Cl4 F24 N12 O10.906 P4 Zn4 -","2","1","","Mautner, Franz A.; Fischer, Roland C.; Torvisco, Ana; Nakashima, Kai; Handa, Makoto; Mikuriya, Masahiro; Salem, Nahed M. H.; Overby, Gabriel J.; Maier, Madison R.; Louka, Febee R.; Massoud, Salah S.","Structure and magnetic characterization of some bicompartmental [N6O2] divalent metal(ii) complexes using bis(phenolato) ligands bearing two pendant bis(pyridyl) amine arms","New Journal of Chemistry","2023","47","33","15638","15649","10.1039/D3NJ02380J","","","0.71073","MoKα","","0.1084","0.0641","","","0.145","0.1864","","","","","","1.065","","","","has coordinates,has disorder","286169","2023-09-05","20:09:23",""
"7062658","17.1145","0.0009","14.543","0.0007","20.9676","0.001","90","","102.122","0.003","90","","5102.4","0.4","100.02","","100.02","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Cd2 Cl2 F6 N6 O8 P -","- C43 H45 Cd2 Cl2 F6 N6 O8 P -","- C172 H180 Cd8 Cl8 F24 N24 O32 P4 -","4","1","","Mautner, Franz A.; Fischer, Roland C.; Torvisco, Ana; Nakashima, Kai; Handa, Makoto; Mikuriya, Masahiro; Salem, Nahed M. H.; Overby, Gabriel J.; Maier, Madison R.; Louka, Febee R.; Massoud, Salah S.","Structure and magnetic characterization of some bicompartmental [N6O2] divalent metal(ii) complexes using bis(phenolato) ligands bearing two pendant bis(pyridyl) amine arms","New Journal of Chemistry","2023","47","33","15638","15649","10.1039/D3NJ02380J","","x-ray","0.71073","MoKα","","0.0723","0.0393","","","0.0651","0.0749","","","","","","1.025","","","","has coordinates","286169","2023-09-05","20:09:23",""
"7062659","14.453","0.0008","23.7277","0.0015","25.4316","0.0016","90","","102.888","0.003","90","","8501.7","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 Cl2 Cu2 N13 O7 -","- C39 H38 Cl2 Cu2 N13 O7 -","- C312 H304 Cl16 Cu16 N104 O56 -","8","2","","Mautner, Franz A.; Fischer, Roland C.; Torvisco, Ana; Nakashima, Kai; Handa, Makoto; Mikuriya, Masahiro; Salem, Nahed M. H.; Overby, Gabriel J.; Maier, Madison R.; Louka, Febee R.; Massoud, Salah S.","Structure and magnetic characterization of some bicompartmental [N6O2] divalent metal(ii) complexes using bis(phenolato) ligands bearing two pendant bis(pyridyl) amine arms","New Journal of Chemistry","2023","47","33","15638","15649","10.1039/D3NJ02380J","","","0.71073","MoKα","","0.1267","0.0827","","","0.1698","0.1907","","","","","","1.098","","","","has coordinates","286169","2023-09-05","20:09:23",""
"7062660","7.0481","0.0006","25.4221","0.0009","30.6301","0.0014","90","","90","","90","","5488.2","0.6","200","0.14","200","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C61 H100 O5 -","- C61 H100 O5 -","- C244 H400 O20 -","4","1","","Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita","New betulin imine derivatives with antioxidant and selective antitumor activity","New Journal of Chemistry","2023","47","35","16551","16563","10.1039/D3NJ02738D","","x-ray","0.71073","MoKα","","0.1005","0.0735","","","0.1283","0.139","","","","","","1.102","","","","has coordinates","286776","2023-10-06","00:32:04",""
"7062661","37.284","0.0016","12.3609","0.0005","6.9822","0.0003","90","","90","","90","","3217.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C35 H59 N O -","- C35 H59 N O -","- C140 H236 N4 O4 -","4","1","","Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita","New betulin imine derivatives with antioxidant and selective antitumor activity","New Journal of Chemistry","2023","47","35","16551","16563","10.1039/D3NJ02738D","","x-ray","0.71073","MoKα","","0.1346","0.0822","","","0.1964","0.2361","","","","","","0.993","","","","has coordinates,has disorder","286776","2023-10-06","00:32:04",""
"7062662","6.9924","0.0008","12.499","0.002","34.223","0.004","90","","90","","90","","2991","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 N O -","- C33 H55 N O -","- C132 H220 N4 O4 -","4","1","","Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita","New betulin imine derivatives with antioxidant and selective antitumor activity","New Journal of Chemistry","2023","47","35","16551","16563","10.1039/D3NJ02738D","","x-ray","0.71073","MoKα","","0.2194","0.0843","","","0.1145","0.1557","","","","","","0.988","","","","has coordinates","286776","2023-10-06","00:32:04",""
"7062663","19.2317","0.0002","10.7253","0.0001","20.2888","0.0002","90","","102.068","0.001","90","","4092.4","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonrap04","","","- C19 H17 Br N3 O6 Re -","- C19 H17 Br N3 O6 Re -","- C152 H136 Br8 N24 O48 Re8 -","8","2","","Pohorenec, Ryan A.; Brennessel, William W.; Jones, William D.","Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium","New Journal of Chemistry","2023","47","36","16872","16878","10.1039/D3NJ02181E","","x-ray","1.54184","CuKα","","0.0304","0.0286","","","0.0721","0.0732","","","","","","1.078","","","","has coordinates","286765","2023-10-06","00:30:14",""
"7062664","14.0841","0.0001","10.3503","0.0001","15.1725","0.0001","90","","96.051","0.001","90","","2199.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonrap11","","","- C23 H24 N3 O7 Re -","- C23 H24 N3 O7 Re -","- C92 H96 N12 O28 Re4 -","4","1","","Pohorenec, Ryan A.; Brennessel, William W.; Jones, William D.","Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium","New Journal of Chemistry","2023","47","36","16872","16878","10.1039/D3NJ02181E","","x-ray","1.54184","CuKα","","0.026","0.0254","","","0.058","0.0584","","","","","","1.112","","","","has coordinates","286765","2023-10-06","00:30:14",""
"7062665","10.0303","0.0001","10.4951","0.0002","17.6513","0.0002","81.809","0.001","81.863","0.001","81.98","0.001","1807.11","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","jonrap12","","","- C19 H16 N3 O6 Re -","- C19 H16 N3 O6 Re -","- C76 H64 N12 O24 Re4 -","4","2","","Pohorenec, Ryan A.; Brennessel, William W.; Jones, William D.","Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium","New Journal of Chemistry","2023","47","36","16872","16878","10.1039/D3NJ02181E","","x-ray","1.54184","CuKα","","0.0273","0.0259","","","0.067","0.0678","","","","","","1.134","","","","has coordinates,has disorder","286765","2023-10-06","00:30:14",""
"7062666","17.9028","0.0005","38.1443","0.0011","31.7645","0.0009","90","","98.922","0.002","90","","21429.2","1.1","190","2","189.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C648 H396 Cd17 O96 -","- C648 H388 Cd17 O96 -","- C648 H388 Cd17 O96 -","1","0.125","","Cen, Peipei; Ma, Tongtong; Jiang, Fujunrui; Zhang, Fengyuan; He, Yanping; Ding, Runmei; Tian, Danian","Fluorescent cadmium(ii) metal–organic frameworks exhibit excellent stability and detection ability to Fe3+ and MnO4− ions","New Journal of Chemistry","2023","47","35","16741","16747","10.1039/D3NJ02631K","","","1.34139","GaKα","","0.1537","0.0902","","","0.276","0.3258","","","","","","1.018","","","","has coordinates,has disorder","286777","2023-10-06","00:33:36",""
"7062667","10.02","0.0005","10.02","0.0005","88.189","0.004","90","","90","","90","","8854.2","0.7","190","2","190.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","tetragonal","","- C108 H64 Cd2 K O16 -","- C108 H64 Cd2 K O16 -","- C432 H256 Cd8 K4 O64 -","4","0.5","","Cen, Peipei; Ma, Tongtong; Jiang, Fujunrui; Zhang, Fengyuan; He, Yanping; Ding, Runmei; Tian, Danian","Fluorescent cadmium(ii) metal–organic frameworks exhibit excellent stability and detection ability to Fe3+ and MnO4− ions","New Journal of Chemistry","2023","47","35","16741","16747","10.1039/D3NJ02631K","","","1.34139","GaKα","","0.1847","0.1204","","","0.3306","0.3745","","","","","","1.059","","","","has coordinates","286777","2023-10-06","00:33:37",""
"7062668","11.8392","0.0016","12.4584","0.0019","16.46","0.002","104.498","0.004","96.983","0.005","115.518","0.004","2046.8","0.5","250","","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H40 N6 O3 -","- C52 H40 N6 O3 -","- C104 H80 N12 O6 -","2","1","","Karak, Anirban; Banerjee, Shilpita; Halder, Satyajit; Mandal, Moumi; Banik, Dipanjan; Maiti, Anwesha; Jana, Kuladip; Mahapatra, Ajit Kumar","Visual and ratiometric fluorescent probe via an intramolecular charge transfer for detection of a nerve agent simulant in solutions and in the gas phase","New Journal of Chemistry","2023","47","35","16756","16763","10.1039/D3NJ02545D","","","0.71073","MoKα","","0.0992","0.0688","","","0.1856","0.2156","","","","","","1.052","","","","has coordinates","286779","2023-10-06","00:33:53",""
"7062669","11.7275","0.0002","5.3703","0.0001","14.0036","0.0002","90","","100.556","0.002","90","","867.02","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Cież, Dariusz; Pałasz, Aleksandra; Kozieł, Krzysztof; Lutsan, Antonii; Kalinowska-Tłuścik, Justyna","Titanium(iv) enolates of cyclic ketones – stereoselective addition of cyclododecanone to aromatic aldehydes","New Journal of Chemistry","2023","47","35","16505","16517","10.1039/D3NJ02355A","","x-ray","1.54184","CuKα","","0.031","0.0302","","","0.0791","0.0796","","","","","","1.046","","","","has coordinates","286775","2023-10-06","00:31:54",""
"7062670","9.9292","0.0003","18.0076","0.0005","10.1009","0.0004","90","","108.692","0.001","90","","1710.79","0.1","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Zhang, Jinfang; Li, Wenjing; Ren, Simeng; Zhao, Shunchang; Tao, Xingyu; Chen, Qinghan; Yin, Dejing; Zhang, Chi","A new-AIE-ligand-based metal–organic framework “turn-on” sensor with extremely high sensitivity","New Journal of Chemistry","2023","47","35","16706","16712","10.1039/D3NJ02818F","","","0.71073","MoKα","","0.0599","0.0421","","","0.1002","0.1079","","","","","","1.019","","","","has coordinates","286774","2023-10-06","00:31:48",""
"7062671","11.173","0.002","11.212","0.002","12.025","0.002","109.211","0.01","99.074","0.011","91.007","0.011","1400.8","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cd Cl0 N2 O5 -","- C36 H24 Cd N2 O5 -","- C72 H48 Cd2 N4 O10 -","2","1","","Zhang, Jinfang; Li, Wenjing; Ren, Simeng; Zhao, Shunchang; Tao, Xingyu; Chen, Qinghan; Yin, Dejing; Zhang, Chi","A new-AIE-ligand-based metal–organic framework “turn-on” sensor with extremely high sensitivity","New Journal of Chemistry","2023","47","35","16706","16712","10.1039/D3NJ02818F","","","0.71073","MoKα","","0.0426","0.0335","","","0.0726","0.0756","","","","","","1.048","","","","has coordinates","286774","2023-10-06","00:31:49",""
"7062672","15.2329","0.0003","15.2329","0.0003","27.0649","0.0005","90","","90","","120","","5438.79","0.18","153","2","153","","","","","","","","","6","P 63","P 6c","173","","","","- C62 H104 Al3 Cl34 N9 O13 -","- C62 H104 Al3 Cl34 N9 O13 -","- C124 H208 Al6 Cl68 N18 O26 -","2","0.333333","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes","New Journal of Chemistry","2023","47","36","16981","16992","10.1039/D3NJ02389C","","","0.71073","MoKα","","0.0336","0.0277","","","0.0588","0.0637","","","","","","1.099","","","","has coordinates,has disorder","286773","2023-10-06","00:31:41",""
"7062673","25.0203","0.0009","22.6402","0.0006","27.641","0.0011","90","","105.685","0.003","90","","15074.6","0.9","153","2","153","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C72 H104 Al3 Cl N9 O13 -","- C72 H104 Al3 Cl N9 O13 -","- C576 H832 Al24 Cl8 N72 O104 -","8","1","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes","New Journal of Chemistry","2023","47","36","16981","16992","10.1039/D3NJ02389C","","","0.71073","MoKα","","0.0831","0.0574","","","0.1373","0.1582","","","","","","1.036","","","","has coordinates,has disorder","286773","2023-10-06","00:31:41",""
"7062674","12.8674","0.0002","25.1293","0.0004","22.9381","0.0003","90","","91.81","0.001","90","","7413.31","0.19","183","2","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H67 Al3 Cl13 N9 O13 -","- C49 H67 Al3 Cl13 N9 O13 -","- C196 H268 Al12 Cl52 N36 O52 -","4","1","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes","New Journal of Chemistry","2023","47","36","16981","16992","10.1039/D3NJ02389C","","","0.71073","MoKα","","0.0526","0.0448","","","0.1082","0.1159","","","","","","1.068","","","","has coordinates,has disorder","286773","2023-10-06","00:31:41",""
"7062675","18.2738","0.0015","15.3551","0.0011","9.8021","0.0007","90","","120.739","0.002","90","","2364","0.3","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C53 H40 N2 O2 P2 Ru -","- C53 H40 N2 O2 P2 Ru -","- C106 H80 N4 O4 P4 Ru2 -","2","0.5","","Das, Akash; Mandal, Subrata; Mukherjee, Rimi; Naskar, Rahul; Murmu, Nabendu; Mondal, Tapan K.","Synthesis of Ru(ii) cyclometallated complexes via C(aryl)–S bond activation: X-ray structure, DNA/BSA protein binding and antiproliferative activity","New Journal of Chemistry","2023","47","37","17359","17372","10.1039/D3NJ02391E","","","0.71073","MoKα","","0.0391","0.0343","","","0.0643","0.0666","","","","","","1.066","","","","has coordinates","286759","2023-10-06","00:28:52",""
"7062676","10.5463","0.0008","12.0634","0.0009","17.8689","0.0014","76.22","0.002","86.297","0.002","86.034","0.002","2199.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 N2 O2 P2 Ru -","- C55 H42 N2 O2 P2 Ru -","- C110 H84 N4 O4 P4 Ru2 -","2","1","","Das, Akash; Mandal, Subrata; Mukherjee, Rimi; Naskar, Rahul; Murmu, Nabendu; Mondal, Tapan K.","Synthesis of Ru(ii) cyclometallated complexes via C(aryl)–S bond activation: X-ray structure, DNA/BSA protein binding and antiproliferative activity","New Journal of Chemistry","2023","47","37","17359","17372","10.1039/D3NJ02391E","","","0.71073","MoKα","","0.06","0.0487","","","0.1035","0.1088","","","","","","1.149","","","","has coordinates","286759","2023-10-06","00:28:53",""
"7062677","10.671","0.009","16.864","0.014","19.112","0.015","111.862","0.012","91.69","0.02","90.834","0.015","3189","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H64 Cl Co4 N15 O18 -","- C52 H56 Cl Co4 N15 O16 -","- C104 H112 Cl2 Co8 N30 O32 -","2","1","","Sarkar, Rabi Sankar; Gómez-García, Carlos J.; Drew, Michael G. B.; Chattopadhyay, Shouvik","Slow relaxation of the magnetization in two cobalt(iii)/cobalt(ii) dimers","New Journal of Chemistry","2023","47","36","16913","16926","10.1039/D3NJ02890A","","","0.71073","MoKα","","0.1022","0.0741","","","0.1421","0.1544","","","","","","1.14","","","","has coordinates","286770","2023-10-06","00:31:09",""
"7062678","18.8154","0.0013","16.5565","0.0013","23.0218","0.0017","90","","98.489","0.002","90","","7093.1","0.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Cl0.5 Co2 N7.5 O11.5 -","- C29 H34 Cl0.5 Co2 N7.5 O11.5 -","- C232 H272 Cl4 Co16 N60 O92 -","8","2","","Sarkar, Rabi Sankar; Gómez-García, Carlos J.; Drew, Michael G. B.; Chattopadhyay, Shouvik","Slow relaxation of the magnetization in two cobalt(iii)/cobalt(ii) dimers","New Journal of Chemistry","2023","47","36","16913","16926","10.1039/D3NJ02890A","","","0.71073","MoKα","","0.1064","0.0759","","","0.2166","0.2439","","","","","","1.051","","","","has coordinates,has disorder","286770","2023-10-06","00:31:10",""
"7062679","11.9525","0.0012","23.158","0.002","18.547","0.002","90","","96.271","0.003","90","","5103","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H38 N10 O5 Sn2 -","- C53 H38 N10 O5 Sn2 -","- C212 H152 N40 O20 Sn8 -","4","1","","Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.","Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses","New Journal of Chemistry","2023","47","36","17129","17141","10.1039/D3NJ02228E","","","0.71073","MoKα","","0.1028","0.0766","","","0.1513","0.1644","","","","","","1.1","","","","has coordinates,has disorder","286764","2023-10-06","00:30:05",""
"7062680","11.341","0.002","12.832","0.003","13.512","0.003","114.565","0.002","95.928","0.002","110.4","0.002","1603.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 N8 O12 Sn2 -","- C68 H60 N8 O12 Sn2 -","- C68 H60 N8 O12 Sn2 -","1","0.5","","Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.","Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses","New Journal of Chemistry","2023","47","36","17129","17141","10.1039/D3NJ02228E","","","0.71073","MoKα","","0.0231","0.0203","","","0.0503","0.0528","","","","","","1.039","","","","has coordinates,has disorder","286764","2023-10-06","00:30:05",""
"7062681","13.1022","0.0013","13.2926","0.0014","13.3483","0.0013","105.191","0.003","94.932","0.003","113.326","0.003","2012.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H58 Cl12 N10 O10 Sn2 -","- C80 H58 Cl12 N10 O10 Sn2 -","- C80 H58 Cl12 N10 O10 Sn2 -","1","0.5","","Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.","Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses","New Journal of Chemistry","2023","47","36","17129","17141","10.1039/D3NJ02228E","","","0.71073","MoKα","","0.0392","0.0323","","","0.0701","0.0747","","","","","","1.085","","","","has coordinates,has disorder","286764","2023-10-06","00:30:05",""
"7062682","8.0541","0.0015","17.145","0.003","23.719","0.004","90","","90.277","0.003","90","","3275.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl N4 O5 Sn -","- C34 H29 Cl N4 O5 Sn -","- C136 H116 Cl4 N16 O20 Sn4 -","4","1","","Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.","Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses","New Journal of Chemistry","2023","47","36","17129","17141","10.1039/D3NJ02228E","","","0.71073","MoKα","","0.0606","0.0437","","","0.1113","0.1248","","","","","","1.09","","","","has coordinates","286764","2023-10-06","00:30:05",""
"7062683","12.485","0.007","15.878","0.008","14.951","0.008","90","","113.157","0.006","90","","2725","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N5 O4 Sn -","- C31 H21 N5 O4 Sn -","- C124 H84 N20 O16 Sn4 -","4","1","","Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.","Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses","New Journal of Chemistry","2023","47","36","17129","17141","10.1039/D3NJ02228E","","","0.71073","MoKα","","0.0212","0.018","","","0.0444","0.0469","","","","","","1.051","","","","has coordinates","286764","2023-10-06","00:30:05",""
"7062684","12.711","0.0004","25.3176","0.0008","8.7136","0.0003","90","","90","","90","","2804.14","0.16","99.99","","99.99","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Cu2 N2 O8 Se2 -","- C18 H20 Cu2 N2 O8 Se2 -","- C72 H80 Cu8 N8 O32 Se8 -","4","0.5","","Pal, Manoj K.; Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Bhuvanesh, Nattamai; Dey, Sandip","Accessing copper selenide nanostructures through a 1D coordination polymer of copper(ii) with 4,4′-dipyridyldiselenide as a molecular precursor","New Journal of Chemistry","2023","47","36","16954","16963","10.1039/D3NJ02062B","","","1.54178","CuKα","","0.028","0.0235","","","0.0613","0.0632","","","","","","1.067","","","","has coordinates","286768","2023-10-06","00:30:55",""
"7062685","9.5009","0.0011","9.4353","0.0011","16.3857","0.0017","90","","90.365","0.011","90","","1468.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Zhang, Fukuan; Liu, Haidong; Jia, Xin-Jian; Li, Lin; Liang, Yi; Luo, Xuzhong; Luo, Haiqing","Copper- or iron-catalyzed stereoselective methylation of enamides using dicumyl peroxide as the methyl source","New Journal of Chemistry","2023","47","36","17060","17065","10.1039/D3NJ02949B","","","1.54184","CuKα","","0.0793","0.0686","","","0.1927","0.2049","","","","","","1.043","","","","has coordinates","286769","2023-10-06","00:31:00",""
"7062686","10.367","0.0004","5.5115","0.0002","12.1835","0.0005","90","","95.746","0.002","90","","692.64","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C32 H32 O4 S2 -","2","1","","Blé-González, Ever A.; Isbel, Stephen R.; Ojo, Olatunji S.; Hillesheim, Patrick C.; Zeller, Matthias; Bugarin, Alejandro","Regiodivergent sulfonylation of terminal olefins via dearomative rearrangement","New Journal of Chemistry","2023","47","36","17020","17025","10.1039/D3NJ03595F","","","0.71073","MoKα","","0.0435","0.0367","","","0.0994","0.1047","","","","","","1.04","","","","has coordinates","286771","2023-10-06","00:31:16",""
"7062687","7.5988","0.0004","7.6069","0.0004","13.6966","0.0007","91.485","0.003","95.543","0.003","108.404","0.003","746.37","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl O3 S -","- C16 H15 Cl O3 S -","- C32 H30 Cl2 O6 S2 -","2","1","","Blé-González, Ever A.; Isbel, Stephen R.; Ojo, Olatunji S.; Hillesheim, Patrick C.; Zeller, Matthias; Bugarin, Alejandro","Regiodivergent sulfonylation of terminal olefins via dearomative rearrangement","New Journal of Chemistry","2023","47","36","17020","17025","10.1039/D3NJ03595F","","","0.71073","MoKα","","0.0649","0.0534","","","0.1452","0.154","","","","","","1.043","","","","has coordinates","286771","2023-10-06","00:31:16",""
"7062688","7.0395","0.0002","10.9134","0.0004","10.0979","0.0004","90","","90","","90","","775.77","0.05","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F2 Mg2 O7 Pb2 Si2 -","- F2 Mg2 O7 Pb2 Si2 -","- F8 Mg8 O28 Pb8 Si8 -","4","0.5","","Zhang, Zhiyuan; Deng, Lihan; Xu, Die; Hu, Mei; Wu, Zhencheng; Su, Xin; Huang, Yineng","Mg2Pb2Si2O7F2: a new lead-containing alkali earth metal silicate fluoride with a short cutoff edge","New Journal of Chemistry","2023","47","37","17413","17419","10.1039/D3NJ03141A","","","0.71073","MoKα","","0.0232","0.0213","","","0.0486","0.05","","","","","","1.172","","","","has coordinates","286763","2023-10-06","00:29:17",""
"7062689","10.7112","0.0009","9.2411","0.0008","23.046","0.002","90","","97.428","0.003","90","","2262","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O7 U -","- C22 H26 N2 O7 U -","- C88 H104 N8 O28 U4 -","4","1","","Barbosa, Elizomar Medeiros; Soares, Kaique Souza; Cruz, Julianna Ferreira; Doring, Thiago Henrique; de França, Igor Vinicius; Mello, Lucas dos S.; Nagurniak, Glaucio R.; Parreira, Renato L. T.; Alvarenga, Meiry Edivirges; Martins, Felipe Terra; Dockal, Edward Ralph; Souza, Elson Almeida; Maia, Paulo José Sousa; da Cruz, José Wilmo","Uranyl N2O2-Schiff base complex as co-catalyst in ethanol electro-oxidation: synthesis, crystallographic, spectroscopic, electrochemical, and DFT characterization, and catalytic investigation","New Journal of Chemistry","2023","47","37","17393","17405","10.1039/D3NJ01561K","","","0.71073","MoKα","","0.0491","0.0348","","","0.064","0.0666","","","","","","1.074","","","","has coordinates","286762","2023-10-06","00:29:11",""
"7062690","10.6615","0.0005","14.8511","0.0007","19.484","0.001","100.189","0.001","94.72","0.002","94.414","0.001","3012.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H49 Cl4 F6 Ir N5 O P S3 -","- C64 H49 Cl4 F6 Ir N5 O P S3 -","- C128 H98 Cl8 F12 Ir2 N10 O2 P2 S6 -","2","1","","Liu, Yawei; Li, Yanzhong; Pu, Tao; Pei, Yuetian; Fan, Yiwei; Xu, Congjian; Li, Fuyou","Autofluorescence-free in vivo imaging using a cyclometalated iridium complex with afterglow luminescence","New Journal of Chemistry","2023","47","36","16794","16798","10.1039/D3NJ03430E","","","1.34138","GaKα","","0.0249","0.0245","","","0.0605","0.0608","","","","","","1.069","","","","has coordinates,has disorder","286766","2023-10-06","00:30:22",""
"7062691","14.1612","0.001","14.3583","0.001","15.9369","0.0011","98.99","0.003","91.174","0.003","110.964","0.003","2978.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H45 F6 Ir N5 O3 P S3 -","- C62 H45 F6 Ir N5 O3 P S3 -","- C124 H90 F12 Ir2 N10 O6 P2 S6 -","2","1","","Liu, Yawei; Li, Yanzhong; Pu, Tao; Pei, Yuetian; Fan, Yiwei; Xu, Congjian; Li, Fuyou","Autofluorescence-free in vivo imaging using a cyclometalated iridium complex with afterglow luminescence","New Journal of Chemistry","2023","47","36","16794","16798","10.1039/D3NJ03430E","","","1.34138","GaKα","","0.0486","0.0415","","","0.1104","0.1148","","","","","","1.066","","","","has coordinates,has disorder","286766","2023-10-06","00:30:22",""
"7062692","7.8867","0.0001","13.1605","0.0003","17.5175","0.0004","109.877","0.002","90.082","0.002","107.239","0.002","1622.46","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H19 B F10 N2 O -","- C39 H19 B F10 N2 O -","- C78 H38 B2 F20 N4 O2 -","2","1","","Murali, Anna Chandrasekar; Pratakshya, Preeta; Patel, Pratiksha; Nayak, Prakash; Peruncheralathan, Saravanan; Venkatasubbaiah, Krishnan","Synthesis, structural, and photophysical properties of pyrazolyl bis(pentafluorophenyl)boron complexes","New Journal of Chemistry","2023","47","38","17835","17842","10.1039/D3NJ03025C","","x-ray","0.71073","MoKα","","0.0361","0.0332","","","0.0871","0.0892","","","","","","1.035","","","","has coordinates","286783","2023-10-06","00:34:58",""
"7062693","8.88","0.0002","14.0601","0.0003","16.9083","0.0003","75.6912","0.0015","81.6746","0.0017","78.457","0.0018","1994.07","0.07","299.6","0.9","299.6","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C39 H19 B F10 N2 O -","- C39 H19 B F10 N2 O -","- C78 H38 B2 F20 N4 O2 -","2","1","","Murali, Anna Chandrasekar; Pratakshya, Preeta; Patel, Pratiksha; Nayak, Prakash; Peruncheralathan, Saravanan; Venkatasubbaiah, Krishnan","Synthesis, structural, and photophysical properties of pyrazolyl bis(pentafluorophenyl)boron complexes","New Journal of Chemistry","2023","47","38","17835","17842","10.1039/D3NJ03025C","","x-ray","1.54184","CuKα","","0.0676","0.0586","","","0.1672","0.1767","","","","","","1.0312","","","","has coordinates","286783","2023-10-06","00:34:59",""
"7062694","12.4589","0.0013","12.9868","0.001","12.6311","0.0011","90","","107.763","0.01","90","","1946.3","0.3","113","18","113","18","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H24 B F10 N3 O -","- C41 H24 B F10 N3 O -","- C82 H48 B2 F20 N6 O2 -","2","1","","Murali, Anna Chandrasekar; Pratakshya, Preeta; Patel, Pratiksha; Nayak, Prakash; Peruncheralathan, Saravanan; Venkatasubbaiah, Krishnan","Synthesis, structural, and photophysical properties of pyrazolyl bis(pentafluorophenyl)boron complexes","New Journal of Chemistry","2023","47","38","17835","17842","10.1039/D3NJ03025C","","x-ray","0.71073","MoKα","","0.0952","0.0883","","","0.2032","0.2089","","","","","","1.0403","","","","has coordinates,has disorder","286783","2023-10-06","00:34:59",""
"7062695","9.9704","0.0008","11.7142","0.0007","13.6657","0.001","78.019","0.006","88.318","0.006","69.186","0.007","1457.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 B10 O0.97 -","- C29 H32 B10 O0.975 -","- C58 H64 B20 O1.95 -","2","1","","Li, Tianrui; Zhang, Hao; Miao, Jinling; Xu, Chunyue; Nie, Yong; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Facile synthesis, aggregation-induced emission, mechano- and thermochromism of o-carborane–tetraphenylethene dyads with a short CH(OH) linker","New Journal of Chemistry","2023","47","39","18243","18250","10.1039/D3NJ03431C","","x-ray","0.71073","MoKα","","0.0823","0.056","","","0.1448","0.1636","","","","","","1.056","","","","has coordinates,has disorder","287389","2023-11-06","08:02:42",""
"7062696","9.8582","0.0006","11.8389","0.0006","13.8893","0.0008","77.753","0.004","88.625","0.005","70.879","0.005","1494.92","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 B10 F O -","- C29 H31 B10 F O -","- C58 H62 B20 F2 O2 -","2","1","","Li, Tianrui; Zhang, Hao; Miao, Jinling; Xu, Chunyue; Nie, Yong; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Facile synthesis, aggregation-induced emission, mechano- and thermochromism of o-carborane–tetraphenylethene dyads with a short CH(OH) linker","New Journal of Chemistry","2023","47","39","18243","18250","10.1039/D3NJ03431C","","x-ray","0.71073","MoKα","","0.0917","0.0657","","","0.1809","0.202","","","","","","1.046","","","","has coordinates","287389","2023-11-06","08:02:43",""
"7062697","11.8284","0.0008","4.5391","0.0004","23.789","0.002","90","","98.165","0.008","90","","1264.29","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O2 -","- C13 H12 Br N O2 -","- C52 H48 Br4 N4 O8 -","4","1","","N. R., Divyashree; Revanasiddappa, Hosakere D.; Yathirajan, H. S.; N. R., Bhavya; M., Mahendra; Iqbal, Muzaffar; Shivamallu, Chandan; Amachawadi, Raghavendra G.; Kollur, Shiva Prasad","Highly selective and sensitive fluorescent “TURN-ON” furan-based Schiff base for zinc(ii) ion probing: chemical synthesis, DFT studies, and X-ray crystal structure","New Journal of Chemistry","2023","47","37","17420","17433","10.1039/D3NJ02466K","","","0.71073","MoKα","","0.0981","0.0686","","","0.1549","0.1731","","","","","","1.042","","","","has coordinates","286760","2023-10-06","00:28:59",""
"7062698","25.3032","0.0011","10.1898","0.0004","14.2632","0.0006","90","","96.766","0.002","90","","3651.9","0.3","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 Ni O4 -","- C19 H24 N2 Ni O4 -","- C152 H192 N16 Ni8 O32 -","8","1","","Ari, Biman; Das, Manik; Brandao, Paola; Mukherjee, Somali; Jana, Atish Dipankar; Koley, Biplab; Laha, Soumik; Maidul Islam, Md.; Choudhuri, Indranil; Bhattacharya, Nandan; Samanta, Bidhan Chandra; Chattopadhyay, Nitin; Maity, Tithi","DNA/HSA binding and anticancer properties of pendant acetate bearing mono-nuclear Ni(ii) and bridging acetate bearing di-nuclear Cu(ii) Schiff base complexes: an experimental and molecular docking study","New Journal of Chemistry","2023","47","38","17881","17896","10.1039/D3NJ02960C","","","0.71073","MoKα","","0.027","0.0251","","","0.0667","0.0681","","","","","","1.074","","","","has coordinates","286781","2023-10-06","00:34:21",""
"7062699","8.1127","0.0013","8.7712","0.0016","12.748","0.002","76.745","0.007","74.503","0.006","82.353","0.006","848.4","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cu2 N4 O6 -","- C38 H44 Cu2 N4 O6 -","- C38 H44 Cu2 N4 O6 -","1","0.5","","Ari, Biman; Das, Manik; Brandao, Paola; Mukherjee, Somali; Jana, Atish Dipankar; Koley, Biplab; Laha, Soumik; Maidul Islam, Md.; Choudhuri, Indranil; Bhattacharya, Nandan; Samanta, Bidhan Chandra; Chattopadhyay, Nitin; Maity, Tithi","DNA/HSA binding and anticancer properties of pendant acetate bearing mono-nuclear Ni(ii) and bridging acetate bearing di-nuclear Cu(ii) Schiff base complexes: an experimental and molecular docking study","New Journal of Chemistry","2023","47","38","17881","17896","10.1039/D3NJ02960C","","","0.71073","MoKα","","0.0364","0.0343","","","0.0882","0.0895","","","","","","1.103","","","","has coordinates,has disorder","286781","2023-10-06","00:34:22",""
"7062700","27.52","0.004","27.52","0.004","43.305","0.007","90","","90","","120","","28403","7","150","","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C64 H56 Cu4 N8 O16 -","- C64 H56 Cu4 N8 O16 -","- C1152 H1008 Cu72 N144 O288 -","18","1","","Das, Jayanta; Ta, Sabyasachi; Das, Debasis","A tetra-nuclear Cu(ii) complex of amide-imine conjugate: highly-selective ESIPT-based probe for OCl−","New Journal of Chemistry","2023","47","39","18126","18129","10.1039/D3NJ02743K","","","0.71073","MoKα","","0.0789","0.0402","","","0.0812","0.0975","","","","","","1.102","","","","has coordinates","287385","2023-11-06","08:01:35",""
"7062701","15.0905","0.001","18.1837","0.0009","28.8807","0.0013","90","","90","","90","","7924.9","0.7","100.15","","100.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C28 H21 Cd N5 O4 -","- C28 H21 Cd N5 O4 -","- C224 H168 Cd8 N40 O32 -","8","0.5","","Manna, Priyanka; Hasija, Avantika; Chopra, Deepak; Mahata, Partha","Selective dye sorption and metal ion sensing behaviours of a new Cd-based MOF","New Journal of Chemistry","2023","47","43","19846","19855","10.1039/D3NJ03179A","","","0.71073","MoKα","","0.0971","0.0875","","","0.1996","0.2046","","","","","","1.104","","","","has coordinates","288833","2024-01-06","08:43:08",""
"7062702","12.5112","0.0002","24.05","0.0003","11.0199","0.0002","90","","101.065","0.001","90","","3254.18","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 O6 -","- C36 H40 O6 -","- C144 H160 O24 -","4","1","","Salami, Fatemeh; Lin, Jian-bin; Chen, Bing; Zhang, Baiyu; Zhao, Yuming","Capture and characterization of elusive cyclo-di-BADGE","New Journal of Chemistry","2023","47","39","18302","18314","10.1039/D3NJ03542E","","x-ray","1.54184","CuKα","","0.0802","0.07","","","0.1675","0.1734","","","","","","1.091","","","","has coordinates,has disorder","287384","2023-11-06","08:01:22",""
"7062703","14.8404","0.0012","5.1873","0.0005","18.6784","0.001","90","","93.721","0.006","90","","1434.9","0.2","100","4","100","4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","1","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.1219","0.0917","","","0.2474","0.278","","","","","","1.081","","","","has coordinates","287386","2023-11-06","08:02:14",""
"7062704","4.7366","0.0002","25.8695","0.0008","8.5888","0.0004","90","","97.737","0.004","90","","1042.83","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 F3 O S -","- C12 H7 F3 O S -","- C48 H28 F12 O4 S4 -","4","1","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.0495","0.0402","","","0.0944","0.0999","","","","","","1.039","","","","has coordinates","287386","2023-11-06","08:02:15",""
"7062705","9.3648","0.0005","5.3613","0.0003","17.6629","0.001","90","","100.307","0.006","90","","872.5","0.09","104.7","0.9","104.7","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F3 O2 S -","- C20 H17 F3 O2 S -","- C40 H34 F6 O4 S2 -","2","1","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.0774","0.0693","","","0.1825","0.1887","","","","","","1.058","","","","has coordinates","287386","2023-11-06","08:02:15",""
"7062706","5.85016","0.00009","11.07614","0.00016","23.2374","0.0003","90","","93.4883","0.0014","90","","1502.93","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F3 O -","- C19 H17 F3 O -","- C76 H68 F12 O4 -","4","1","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.0513","0.0451","","","0.1112","0.1155","","","","","","1.073","","","","has coordinates","287386","2023-11-06","08:02:15",""
"7062707","13.4778","0.0002","7.9198","0.0001","17.0401","0.0003","90","","108.952","0.002","90","","1720.29","0.05","99.9","0.7","99.9","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 O3 S -","- C20 H17 F3 O3 S -","- C80 H68 F12 O12 S4 -","4","1","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.0369","0.0338","","","0.092","0.0938","","","","","","1.102","","","","has coordinates","287386","2023-11-06","08:02:15",""
"7062708","44.8162","0.0004","9.2516","0.0001","29.8662","0.0002","90","","101.384","0.001","90","","12139.5","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 F3 S -","- C19 H13 F3 S -","- C608 H416 F96 S32 -","32","4","","Khoroshilova, Olesya V.; Borovkova, Kristina E.; Nikiforova, Lia R.; Salmova, Julia V.; Taraskin, Artem O.; Spiridonova, Daria V.; Vasilyev, Aleksander V.","TfOH-promoted multichannel transformations of trifluoromethyl side chain substituted thiophene and furan families to access antimicrobial agents","New Journal of Chemistry","2023","47","39","18492","18516","10.1039/D3NJ02990E","","x-ray","1.54184","CuKα","","0.0344","0.0325","","","0.0963","0.098","","","","","","1.033","","","","has coordinates","287386","2023-11-06","08:02:15",""
"7062709","5.0231","0.0005","10.8971","0.0009","10.2026","0.0009","90","","96.6","0.003","90","","554.76","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H8 Ag Cl N4 O7 -","- C6 H8 Ag Cl N4 O7 -","- C12 H16 Ag2 Cl2 N8 O14 -","2","0.5","","Zhang, Chao; Wang, Ting-wei; Lu, Zu-jia; Yi, Zhen-xin; Kuang, Bao-long; Xie, Zhi-ming; Li, Yan; Zhang, Jian-guo","Constructing a graphene-like structure to lower friction sensitivity: Ag(i) complexes based on furan-2,5-dicarbohydrazide","New Journal of Chemistry","2023","47","37","17592","17598","10.1039/D3NJ02775A","","","0.71073","MoKα","","0.0557","0.0452","","","0.1098","0.1146","","","","","","1.062","","","","has coordinates,has disorder","286761","2023-10-06","00:29:04",""
"7062710","9.2582","0.0007","12.0267","0.0008","30.804","0.002","90","","90","","90","","3429.9","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C144 H128 N48 O16 -","8","2","","Anitha, Ottoor; Aiswarya, Janardhanan; Thiruppathiraja, Thangaraj; Lakshmipathi, Senthilkumar; Małecki, Jan Grzegorz; Murugesapandian, Balasubramanian","An AIE active acidochromic pyrimidine-functionalized two-in-one fluorescent probe for selective relay detection of Al3+/Zn2+ and PPi with various detection applications","New Journal of Chemistry","2023","47","39","18461","18475","10.1039/D3NJ03379A","","x-ray","0.71073","MoKα","","0.0956","0.0499","","","0.0944","0.1127","","","","","","1.025","","","","has coordinates","287392","2023-11-06","08:03:21",""
"7062711","10.097","0.004","10.892","0.004","11.599","0.004","108.552","0.005","110.723","0.004","103.618","0.005","1040.3","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","","Guo, Yimei; Sun, Zhenhua; He, Xiaodan; Cao, Penghui; Fan, Guangping; Gao, Qinghe","KI-mediated three-component annelation for the regioselective synthesis of angular azolo[1,5-a]pyrimidine derivatives","New Journal of Chemistry","2023","47","40","18618","18622","10.1039/D3NJ03930G","","","0.71073","MoKα","","0.1018","0.0746","","","0.2475","0.2829","","","","","","1.089","","","","has coordinates","287399","2023-11-06","08:04:54",""
"7062712","6.0699","0.0012","16.684","0.003","9.459","0.002","90","","101.436","0.006","90","","938.9","0.3","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Cl O2 -","- C21 H25 Cl O2 -","- C42 H50 Cl2 O4 -","2","1","","Mahey, Jasbir Kaur; Pawara, Chunilal B.; Kamble, Sumit B.","A single-pot synthesis of 4-hydroxybenzophenones via acid-catalyzed alkoxylation of p-quinone methides followed by DDQ-assisted oxo-demethoxylation","New Journal of Chemistry","2023","47","39","18419","18429","10.1039/D3NJ03163B","","","0.71073","MoKα","","0.1149","0.0582","","","0.1196","0.1509","","","","","","1.026","","","","has coordinates","287390","2023-11-06","08:02:58",""
"7062713","9.0804","0.0007","20.1924","0.0016","11.897","0.0009","90","","91.264","0.004","90","","2180.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C H Cl0.04 Co Cu0.04 N O -","- C3.40741 H2.81481 Cl0.296296 Cu0.148148 N0.444444 O0.296296 -","- C92 H76 Cl8 Cu4 N12 O8 -","27","6.75","","Chaudhary, Virendra Kumar; Singh, Sain; Kumar, Kapil; Choudhury, Angshuman R.; Ghosh, Kaushik","Facile synthesis of benzoxazole derivatives by a multi-component reaction catalysed by copper complexes capable of generating phenoxyl radical complex","New Journal of Chemistry","2023","47","41","18995","19004","10.1039/D3NJ03160H","","","0.71073","MoKα","","0.0896","0.0767","","","0.2455","0.2539","","","","","","1.087","","","","has coordinates","287366","2023-11-06","07:57:16",""
"7062714","13.9524","0.0005","12.3044","0.0004","15.0863","0.0006","90","","96.271","0.003","90","","2574.46","0.16","296","0.2","296","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Cl2 Cu N3 O -","- C26 H29 Cl2 Cu N3 O -","- C104 H116 Cl8 Cu4 N12 O4 -","4","1","","Chaudhary, Virendra Kumar; Singh, Sain; Kumar, Kapil; Choudhury, Angshuman R.; Ghosh, Kaushik","Facile synthesis of benzoxazole derivatives by a multi-component reaction catalysed by copper complexes capable of generating phenoxyl radical complex","New Journal of Chemistry","2023","47","41","18995","19004","10.1039/D3NJ03160H","","x-ray","0.71073","MoKα","","0.0999","0.0568","","","0.1561","0.1933","","","","","","1.035","","","","has coordinates","287366","2023-11-06","07:57:16",""
"7062715","8.6993","0.0005","14.4139","0.0008","10.5286","0.0006","90","","106.796","0.001","90","","1263.87","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Au F6 N6 P -","- C24 H18 Au F6 N6 P -","- C48 H36 Au2 F12 N12 P2 -","2","0.5","","Behera, Prafulla K.; Maity, Lakshmikanta; Roy, Sraddhya; Das, Ananya; Sahu, Priyanka; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Fettouhi, Mohammed Benyounes; Bairagi, Aparajita; Chatterjee, Nabanita; Dinda, Joydev","Therapeutic potential of Ag(i)–, Au(i)–, and Au(iii)–NHC complexes of 3-pyridyl wingtip N-heterocyclic carbenes (NHCs) against lung cancer","New Journal of Chemistry","2023","47","40","18835","18848","10.1039/D3NJ02882H","","","0.71073","MoKα","","0.0349","0.025","","","0.0717","0.0803","","","","","","1.077","","","","has coordinates,has disorder","287394","2023-11-06","08:04:00",""
"7062716","18.3998","0.0012","9.7138","0.0006","15.292","0.001","90","","94.451","0.002","90","","2724.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 F6 N3 P -","- C12 H10 F6 N3 P -","- C96 H80 F48 N24 P8 -","8","1","","Behera, Prafulla K.; Maity, Lakshmikanta; Roy, Sraddhya; Das, Ananya; Sahu, Priyanka; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Fettouhi, Mohammed Benyounes; Bairagi, Aparajita; Chatterjee, Nabanita; Dinda, Joydev","Therapeutic potential of Ag(i)–, Au(i)–, and Au(iii)–NHC complexes of 3-pyridyl wingtip N-heterocyclic carbenes (NHCs) against lung cancer","New Journal of Chemistry","2023","47","40","18835","18848","10.1039/D3NJ02882H","","","0.71073","MoKα","","0.0778","0.0552","","","0.1348","0.1488","","","","","","1.054","","","","has coordinates,has disorder","287394","2023-11-06","08:04:01",""
"7062717","15.8449","0.0006","10.4597","0.0004","34.0306","0.0013","90","","95.784","0.004","90","","5611.3","0.4","200","0.1","200","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H17 F7 Ir N7 -","- C30 H17 F7 Ir N7 -","- C240 H136 F56 Ir8 N56 -","8","1","","Gu, Li; Li, Shuaibing; Han, Huabo; Wang, Xinzhong; Zhou, Changjiang; Lu, Junjian; Zhou, Liang; Lu, Guangzhao","Asymmetric [Ir(C1^N1)(C2^N2)(L^X)]-tris-heteroleptic iridium(iii) complexes enable deep blue phosphorescent emission","New Journal of Chemistry","2023","47","40","18603","18609","10.1039/D3NJ03513A","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.0615","0.0675","","","","","","1.015","","","","has coordinates","287397","2023-11-06","08:04:37",""
"7062718","22.4391","0.0011","16.4322","0.0008","17.4014","0.0007","90","","108.645","0.005","90","","6079.6","0.5","199.99","0.1","199.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 F7 Ir N7 O -","- C30 H17 F7 Ir N7 -","- C240 H136 F56 Ir8 N56 -","8","1","","Gu, Li; Li, Shuaibing; Han, Huabo; Wang, Xinzhong; Zhou, Changjiang; Lu, Junjian; Zhou, Liang; Lu, Guangzhao","Asymmetric [Ir(C1^N1)(C2^N2)(L^X)]-tris-heteroleptic iridium(iii) complexes enable deep blue phosphorescent emission","New Journal of Chemistry","2023","47","40","18603","18609","10.1039/D3NJ03513A","","x-ray","1.54184","CuKα","","0.0553","0.0435","","","0.104","0.1124","","","","","","1.023","","","","has coordinates","287397","2023-11-06","08:04:37",""
"7062719","5.7802","0.0001","7.4879","0.0001","27.7844","0.0005","90","","90","","90","","1202.55","0.03","230","0.1","230","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C48 H48 Cl4 N4 O12 -","4","1","","Bai, Yu-Jun; Wang, Xue-Ying; Zhu, Si-Kai; Zheng, Xiao-Hui; Zhang, Sheng-Yong; Wang, Ping-An","Chiral cyclopropenimine-catalyzed enantioselective Michael additions between benzophenone-imine of glycine esters and α,β-unsaturated pyrazolamides","New Journal of Chemistry","2023","47","40","18811","18817","10.1039/D3NJ02537C","","x-ray","1.54184","CuKα","","0.0261","0.0251","","","0.0661","0.0669","","","","","","1.084","","","","has coordinates","287400","2023-11-06","08:05:13",""
"7062720","5.7785","0.0003","7.4826","0.0003","27.8645","0.0011","90","","90","","90","","1204.81","0.09","240","0.1","240","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C48 H48 Cl4 N4 O12 -","4","1","","Bai, Yu-Jun; Wang, Xue-Ying; Zhu, Si-Kai; Zheng, Xiao-Hui; Zhang, Sheng-Yong; Wang, Ping-An","Chiral cyclopropenimine-catalyzed enantioselective Michael additions between benzophenone-imine of glycine esters and α,β-unsaturated pyrazolamides","New Journal of Chemistry","2023","47","40","18811","18817","10.1039/D3NJ02537C","","x-ray","1.54184","CuKα","","0.0405","0.0348","","","0.0792","0.084","","","","","","1.045","","","","has coordinates","287400","2023-11-06","08:05:16",""
"7062721","6.3789","0.0003","23.7392","0.0013","9.2761","0.0005","90","","98.122","0.005","90","","1390.59","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(butylcarbamothioyl)-4-methoxybenzamide","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","","Aguilar, E. Contreras; Cogollo, E. Espitia; Echeverría, G. A.; Piro, O. E.; Jios, J. L.; Ulic, S. E.; Molina, R. D. I.; Arena, M. E.","Isosteric O/S exchange in carbonyl(thio)ureides: molecular interactions, structure, and bioactivity assays","New Journal of Chemistry","2023","47","39","18341","18353","10.1039/D3NJ02529B","","x-ray","0.71073","MoKα","","0.0937","0.0515","","","0.1021","0.1205","","","","","","1.027","","","","has coordinates","287393","2023-11-06","08:03:33",""
"7062722","4.8639","0.0002","15.2441","0.0007","18.5621","0.0008","90","","96.637","0.004","90","","1367.08","0.1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(butylcarbamoyl)-4-methoxybenzamide","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Aguilar, E. Contreras; Cogollo, E. Espitia; Echeverría, G. A.; Piro, O. E.; Jios, J. L.; Ulic, S. E.; Molina, R. D. I.; Arena, M. E.","Isosteric O/S exchange in carbonyl(thio)ureides: molecular interactions, structure, and bioactivity assays","New Journal of Chemistry","2023","47","39","18341","18353","10.1039/D3NJ02529B","","x-ray","0.71073","MoKα","","0.1448","0.0785","","","0.2118","0.2587","","","","","","1.027","","","","has coordinates","287393","2023-11-06","08:03:38",""
"7062723","24.649","0.004","9.6058","0.0017","23.874","0.003","90","","118.391","0.019","90","","4972.8","1.6","296","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Br2 Cl2 Co N6 -","- C42 H28 Br2 Cl2 Co N6 -","- C168 H112 Br8 Cl8 Co4 N24 -","4","0.5","","Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen","Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA","New Journal of Chemistry","2023","47","40","18785","18793","10.1039/D3NJ03445C","","","0.71073","MoKα","","0.1635","0.0793","","","0.2111","0.2595","","","","","","0.98","","","","has coordinates,has disorder","287401","2023-11-06","08:05:36",""
"7062724","16.5178","0.0009","14.7305","0.0009","37.36","0.002","90","","92.85","0.005","90","","9079","0.9","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Cl2 Co I2 N6 O3 -","- C42 H34 Cl2 Co I2 N6 O3 -","- C336 H272 Cl16 Co8 I16 N48 O24 -","8","1","","Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen","Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA","New Journal of Chemistry","2023","47","40","18785","18793","10.1039/D3NJ03445C","","","0.71073","MoKα","","0.0817","0.0635","","","0.1659","0.1832","","","","","","1.022","","","","has coordinates","287401","2023-11-06","08:05:36",""
"7062725","11.494","0.0005","11.494","0.0005","35.533","0.004","90","","90","","90","","4694.3","0.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H34 Cl2 Co N6 -","- C44 H34 Cl2 Co N6 -","- C176 H136 Cl8 Co4 N24 -","4","0.25","","Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen","Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA","New Journal of Chemistry","2023","47","40","18785","18793","10.1039/D3NJ03445C","","","0.71073","MoKα","","0.0945","0.0695","","","0.2129","0.2407","","","","","","1.058","","","","has coordinates,has disorder","287401","2023-11-06","08:05:36",""
"7062726","10.725","0.002","11.525","0.002","19.766","0.004","106.16","0.03","94.85","0.03","97.02","0.03","2311","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Cl2 Co N6 O2 -","- C44 H34 Cl2 Co N6 O2 -","- C88 H68 Cl4 Co2 N12 O4 -","2","1","","Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen","Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA","New Journal of Chemistry","2023","47","40","18785","18793","10.1039/D3NJ03445C","","","0.71073","MoKα","","0.0812","0.0647","","","0.1942","0.2147","","","","","","1.06","","","","has coordinates,has disorder","287401","2023-11-06","08:05:36",""
"7062727","10.6413","0.0007","11.5087","0.0006","19.8685","0.0011","97.12","0.004","95.761","0.005","111.838","0.006","2212.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cl2 Co N6 -","- C42 H30 Cl2 Co N6 -","- C84 H60 Cl4 Co2 N12 -","2","1","","Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen","Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA","New Journal of Chemistry","2023","47","40","18785","18793","10.1039/D3NJ03445C","","","0.71073","MoKα","","0.0825","0.0672","","","0.2052","0.2232","","","","","","1.036","","","","has coordinates","287401","2023-11-06","08:05:36",""
"7062728","11.5679","0.0004","14.3215","0.0005","15.9903","0.0006","73.603","0.003","76.313","0.003","77.065","0.003","2433.9","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Cl2 Co N6 O4 S2 -","- C44 H34 Cl2 Co N6 O4 S2 -","- C88 H68 Cl4 Co2 N12 O8 S4 -","2","1","","Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen","Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA","New Journal of Chemistry","2023","47","40","18785","18793","10.1039/D3NJ03445C","","","0.71073","MoKα","","0.055","0.0442","","","0.1289","0.1376","","","","","","1.037","","","","has coordinates","287401","2023-11-06","08:05:36",""
"7062729","14.367","0.003","3.9097","0.0008","23.118","0.004","90","","90.068","0.007","90","","1298.6","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br2 Cl4 N2 O2 -","- C26 H16 Br2 Cl4 N2 O2 -","- C52 H32 Br4 Cl8 N4 O4 -","2","0.5","","Waziri, Ibrahim; Masena, Hlonepho M.; Yusuf, Tunde L.; Coetzee, Louis-Charl C.; Adeyinka, Adedapo S.; Muller, Alfred J.","Synthesis, characterization, biological evaluation, DFT and molecular docking studies of (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol and its Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2023","47","38","17853","17870","10.1039/D3NJ02910G","","x-ray","0.71073","MoKα","","0.1029","0.0655","","","0.132","0.1483","","","","","","1.1092","","","","has coordinates","286780","2023-10-06","00:34:14",""
"7062730","9.974","0.002","10.356","0.002","12.438","0.003","90","","105.626","0.006","90","","1237.2","0.5","172.98","","172.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Br Cl2 N Ni0.5 O -","- C13 H7 Br Cl2 N Ni0.5 O -","- C52 H28 Br4 Cl8 N4 Ni2 O4 -","4","1","","Waziri, Ibrahim; Masena, Hlonepho M.; Yusuf, Tunde L.; Coetzee, Louis-Charl C.; Adeyinka, Adedapo S.; Muller, Alfred J.","Synthesis, characterization, biological evaluation, DFT and molecular docking studies of (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol and its Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2023","47","38","17853","17870","10.1039/D3NJ02910G","","x-ray","0.71073","MoKα","","0.1237","0.0513","","","0.1024","0.1277","","","","","","1.012","","","","has coordinates","286780","2023-10-06","00:34:14",""
"7062731","9.966","0.004","10.774","0.004","11.925","0.005","90","","103.479","0.008","90","","1245.2","0.9","173","2","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Br2 Cl4 Cu N2 O2 -","- C26 H14 Br2 Cl4 Cu N2 O2 -","- C52 H28 Br4 Cl8 Cu2 N4 O4 -","2","0.5","","Waziri, Ibrahim; Masena, Hlonepho M.; Yusuf, Tunde L.; Coetzee, Louis-Charl C.; Adeyinka, Adedapo S.; Muller, Alfred J.","Synthesis, characterization, biological evaluation, DFT and molecular docking studies of (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol and its Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2023","47","38","17853","17870","10.1039/D3NJ02910G","","x-ray","0.71073","MoKα","","0.118","0.0479","","","0.0921","0.1138","","","","","","0.9991","","","","has coordinates","286780","2023-10-06","00:34:14",""
"7062732","5.4044","0.0003","14.2246","0.0007","17.758","0.0008","79.753","0.002","81.874","0.002","81.718","0.002","1319.95","0.12","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H34 O8 -","- C28 H34 O8 -","- C56 H68 O16 -","2","1","","Li, Xiaohong; Zhang, Dong; Wang, Yan; Xiao, Shiji; Wu, Ying; Xie, Peizhong; Loh, Teck-Peng","Calcium-catalyzed dehydrative allylation of P-ylides and sequential Wittig reaction for streamlined access to versatile 1,4-dienes","New Journal of Chemistry","2023","47","40","18779","18784","10.1039/D3NJ03640E","","","1.54178","CuKα","","0.0444","0.04","","","0.1112","0.1133","","","","","","1.075","","","","has coordinates","287396","2023-11-06","08:04:28",""
"7062733","10.9275","0.0007","12.1821","0.0007","13.5028","0.0008","90.484","0.002","92.307","0.002","115.888","0.002","1615.12","0.17","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H31 Cl2 Fe N2 O2 P Pt -","- C38 H31 Cl2 Fe N2 O2 P Pt -","- C76 H62 Cl4 Fe2 N4 O4 P2 Pt2 -","2","1","","Horký, Filip; Soellner, Johannes; Schulz, Jiří; Císařová, Ivana; Strassner, Thomas; Štěpnička, Petr","Synthesis of Pt(ii) phosphinocarboxylate complexes with auxiliary arylcarbene ligands and factors that control their stereochemistry","New Journal of Chemistry","2023","47","39","18442","18449","10.1039/D3NJ03729K","","","0.71073","MoKα","","0.013","0.0127","","","0.0306","0.0307","","","","","","1.072","","","","has coordinates","287387","2023-11-06","08:02:25",""
"7062734","24.4792","0.001","11.24","0.0005","26.6119","0.0012","90","","102.805","0.001","90","","7140.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 Fe N2 O3 P Pt -","- C42 H31 Fe N2 O2 P Pt -","- C336 H248 Fe8 N16 O16 P8 Pt8 -","8","1","","Horký, Filip; Soellner, Johannes; Schulz, Jiří; Císařová, Ivana; Strassner, Thomas; Štěpnička, Petr","Synthesis of Pt(ii) phosphinocarboxylate complexes with auxiliary arylcarbene ligands and factors that control their stereochemistry","New Journal of Chemistry","2023","47","39","18442","18449","10.1039/D3NJ03729K","","","0.71073","MoKα","","0.0179","0.0158","","","0.0356","0.0363","","","","","","1.086","","","","has coordinates","287387","2023-11-06","08:02:25",""
"7062735","10.6688","0.0005","11.5902","0.0005","12.7186","0.0005","90","","90","","90","","1572.7","0.12","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","","Rao, H. Surya Prakash; J, Prabhakaran","C(3)-Aryl isoindolinones: a PTSA-mediated access and improved synthesis of (±)-nuevamine","New Journal of Chemistry","2023","47","41","19283","19288","10.1039/D3NJ03498D","","","0.71073","MoKα","","0.0478","0.0368","","","0.0867","0.095","","","","","","1.056","","","","has coordinates","287370","2023-11-06","07:58:05",""
"7062736","11.2613","0.0005","12.2335","0.0005","14.3259","0.0006","66.023","0.001","78.933","0.002","67.337","0.001","1662.6","0.12","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N4 -","- C40 H30 N4 -","- C80 H60 N8 -","2","1","","Yu, Jingwen; Song, Luna; Wang, Yeshuang; Li, Haowen; Liu, Jiawen; Wu, Mengmeng; Feng, Yu; Mi, Jie","Three novel indole-bearing porous organic polymers for efficient iodine capture from both vapor and organic phases","New Journal of Chemistry","2023","47","38","18070","18085","10.1039/D3NJ03233G","","","0.71073","MoKα","","0.0447","0.0413","","","0.1062","0.1089","","","","","","1.042","","","","has coordinates","286782","2023-10-06","00:34:28",""
"7062737","14.022","0.009","16.557","0.01","16.724","0.011","105.31","0.008","108.728","0.005","100.126","0.005","3399","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H87 Co2 N5 O4 -","- C78 H87 Co2 N5 O4 -","- C156 H174 Co4 N10 O8 -","2","1","","Estifanos Filkale, Adelew; Gangwar, Manoj Kumar; Pandey, Indresh Kumar; Butcher, Ray","Binuclear cobalt(ii) complexes: synthesis, structure, characterizations and catalytic applications in acceptor-less dehydrogenation (AD) of primary alcohols into aldehydes","New Journal of Chemistry","2023","47","42","19657","19671","10.1039/D3NJ03632D","","","0.71075","MoKα","","0.1189","0.0995","","","0.2111","0.2218","","","","","","1.101","","","","has coordinates","287378","2023-11-06","08:00:26",""
"7062738","12.078","0.002","13.095","0.002","33.434","0.005","90","","90","","90","","5288","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Department of ChemistryUniversity of AnywhereSometownSomewhere, UK","","- C62 H57 Co2 N5 O5 -","- C62 H57 Co2 N5 O5 -","- C248 H228 Co8 N20 O20 -","4","1","","Estifanos Filkale, Adelew; Gangwar, Manoj Kumar; Pandey, Indresh Kumar; Butcher, Ray","Binuclear cobalt(ii) complexes: synthesis, structure, characterizations and catalytic applications in acceptor-less dehydrogenation (AD) of primary alcohols into aldehydes","New Journal of Chemistry","2023","47","42","19657","19671","10.1039/D3NJ03632D","","","0.71075","MoKα","","0.0635","0.0415","","","0.0875","0.1041","","","","","","0.959","","","","has coordinates","287378","2023-11-06","08:00:26",""
"7062739","12.2854","0.0015","13.8933","0.0019","18.666","0.003","85.816","0.004","80.738","0.005","78.222","0.004","3075.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Department of ChemistryUniversity of AnywhereSometownSomewhere, UK","","- C69 H70 Cl2 Co2 N4 O4 -","- C69 H70 Cl2 Co2 N4 O4 -","- C138 H140 Cl4 Co4 N8 O8 -","2","1","","Estifanos Filkale, Adelew; Gangwar, Manoj Kumar; Pandey, Indresh Kumar; Butcher, Ray","Binuclear cobalt(ii) complexes: synthesis, structure, characterizations and catalytic applications in acceptor-less dehydrogenation (AD) of primary alcohols into aldehydes","New Journal of Chemistry","2023","47","42","19657","19671","10.1039/D3NJ03632D","","","0.7107","MoKα","","0.0533","0.0473","","","0.115","0.1195","","","","","","1.02","","","","has coordinates","287378","2023-11-06","08:00:26",""
"7062740","10.695","0.002","16.189","0.003","9.9943","0.0017","90","","93.985","0.003","90","","1726.2","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br Mn N5 O3 -","- C13 H19 Br Mn N5 O3 -","- C52 H76 Br4 Mn4 N20 O12 -","4","1","","Watari, Ryo; Kayaki, Yoshihito","Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands","New Journal of Chemistry","2023","47","40","18610","18617","10.1039/D3NJ02927A","","","0.71075","MoKα","","0.0485","0.0379","","","0.0927","0.0949","","","","","","0.941","","","","has coordinates","287398","2023-11-06","08:04:46",""
"7062741","16.301","0.003","14.358","0.002","7.9184","0.0011","90","","90","","90","","1853.3","0.5","93","","93","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C15 H23 Br Mn N5 O3 -","- C15 H23 Br Mn N5 O3 -","- C60 H92 Br4 Mn4 N20 O12 -","4","0.5","","Watari, Ryo; Kayaki, Yoshihito","Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands","New Journal of Chemistry","2023","47","40","18610","18617","10.1039/D3NJ02927A","","","0.71075","MoKα","","0.0447","0.0419","","","0.0996","0.1","","","","","","0.982","","","","has coordinates","287398","2023-11-06","08:04:46",""
"7062742","10.835","0.002","18.242","0.003","10.958","0.002","90","","103.653","0.003","90","","2104.7","0.6","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Br Mn N5 O3 -","- C17 H27 Br Mn N5 O3 -","- C68 H108 Br4 Mn4 N20 O12 -","4","1","","Watari, Ryo; Kayaki, Yoshihito","Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands","New Journal of Chemistry","2023","47","40","18610","18617","10.1039/D3NJ02927A","","","0.71075","MoKα","","0.0546","0.0353","","","0.0859","0.0901","","","","","","0.892","","","","has coordinates","287398","2023-11-06","08:04:46",""
"7062743","13.221","0.005","14.527","0.006","7.465","0.002","90","","98.802","0.012","90","","1416.9","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Bakaev, I. V.; Romashev, N. F.; Komlyagina, V. I.; Samsonenko, D. G.; Gushchin, A. L.","Mono(arylhydrazino)acenaphthenones as a platform for the design of NIR chromophores based on Pd(ii)-BIAN complexes","New Journal of Chemistry","2023","47","40","18825","18834","10.1039/D3NJ03832G","","","0.71073","MoKα","","0.1637","0.0611","","","0.1216","0.1518","","","","","","0.848","","","","has coordinates","287402","2023-11-06","08:05:49",""
"7062744","11.6474","0.0004","15.4728","0.0009","15.7629","0.0008","65.908","0.005","77.154","0.004","82.585","0.004","2526.1","0.2","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H51 Cl2 F3 N4 O5 Pd S -","- C54 H51 Cl2 F3 N4 O5 Pd S -","- C108 H102 Cl4 F6 N8 O10 Pd2 S2 -","2","1","","Bakaev, I. V.; Romashev, N. F.; Komlyagina, V. I.; Samsonenko, D. G.; Gushchin, A. L.","Mono(arylhydrazino)acenaphthenones as a platform for the design of NIR chromophores based on Pd(ii)-BIAN complexes","New Journal of Chemistry","2023","47","40","18825","18834","10.1039/D3NJ03832G","","x-ray","0.71073","MoKα","","0.0517","0.041","","","0.1061","0.1118","","","","","","1.068","","","","has coordinates","287402","2023-11-06","08:06:00",""
"7062745","11.3743","0.0003","15.8304","0.0004","16.1456","0.0003","66.407","0.002","81.7972","0.0018","76.684","0.002","2588.38","0.11","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H52 Cl F3 N4 O5 Pd S -","- C54.5 H52 Cl F3 N4 O5 Pd S -","- C109 H104 Cl2 F6 N8 O10 Pd2 S2 -","2","1","","Bakaev, I. V.; Romashev, N. F.; Komlyagina, V. I.; Samsonenko, D. G.; Gushchin, A. L.","Mono(arylhydrazino)acenaphthenones as a platform for the design of NIR chromophores based on Pd(ii)-BIAN complexes","New Journal of Chemistry","2023","47","40","18825","18834","10.1039/D3NJ03832G","","x-ray","0.71073","MoKα","","0.0492","0.0408","","","0.1121","0.1168","","","","","","1.049","","","","has coordinates,has disorder","287402","2023-11-06","08:06:05",""
"7062746","16.8571","0.0004","13.4598","0.0003","23.7954","0.0005","90","","104.394","0.001","90","","5229.5","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H52 Cl F3 N4 O4 Pd S -","- C55.499 H52 Cl F2.997 N4 O3.997 Pd S0.999 -","- C221.996 H208 Cl4 F11.988 N16 O15.988 Pd4 S3.996 -","4","1","","Bakaev, I. V.; Romashev, N. F.; Komlyagina, V. I.; Samsonenko, D. G.; Gushchin, A. L.","Mono(arylhydrazino)acenaphthenones as a platform for the design of NIR chromophores based on Pd(ii)-BIAN complexes","New Journal of Chemistry","2023","47","40","18825","18834","10.1039/D3NJ03832G","","","0.71073","MoKα","","0.0954","0.0713","","","0.21","0.2302","","","","","","1.08","","","","has coordinates,has disorder","287402","2023-11-06","08:06:16",""
"7062747","20.058","0.003","7.603","0.001","7.3757","0.0009","90","","115.018","0.007","90","","1019.3","0.2","298","","298","","","","","","","","Synthesis","5","C 1 2/m 1","-C 2y","12","","","","- C6 H4 Cu N6 O4 -","- C6 H4 Cu N6 O4 -","- C24 H16 Cu4 N24 O16 -","4","0.5","","Di Nicola, Corrado; Marchetti, Fabio; Tombesi, Alessia; Xhafa, Sonila; Campitelli, Patrizio; Moroni, Marco; Galli, Simona; Pettinari, Riccardo; Pettinari, Claudio","Antibacterial activity of copper pyrazolate coordination polymers","New Journal of Chemistry","2023","47","41","19047","19056","10.1039/D3NJ02378H","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","287372","2023-11-06","07:58:25",""
"7062748","19.5893","0.0016","7.4413","0.0006","23.8477","0.0019","90","","90.8384","0.0012","90","","3475.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl6 F6 N2 O2 Te -","- C28 H34 Cl6 F6 N2 O2 Te -","- C112 H136 Cl24 F24 N8 O8 Te4 -","4","0.5","","D’Arcy, Kenneth; Schäfer, Tim; De Franco, Michele; Ricco, Raffaele; Gandin, Valentina; Sanz Miguel, Pablo J.; Montagner, Diego","Unusual tellurium(iv) mediated cyclisation diols into dihydroxazoles with potential anticancer activity","New Journal of Chemistry","2023","47","39","18485","18491","10.1039/D3NJ03186A","","","0.71073","MoKα","","0.0219","0.0198","","","0.0478","0.0487","","","","","","1.036","","","","has coordinates","287388","2023-11-06","08:02:33",""
"7062749","12.5174","0.0004","10.3774","0.0003","15.1349","0.0005","90","","91.9411","0.0012","90","","1964.87","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl6 N4 O4 Te -","- C32 H50 Cl6 N4 O4 Te -","- C64 H100 Cl12 N8 O8 Te2 -","2","0.5","","D’Arcy, Kenneth; Schäfer, Tim; De Franco, Michele; Ricco, Raffaele; Gandin, Valentina; Sanz Miguel, Pablo J.; Montagner, Diego","Unusual tellurium(iv) mediated cyclisation diols into dihydroxazoles with potential anticancer activity","New Journal of Chemistry","2023","47","39","18485","18491","10.1039/D3NJ03186A","","","0.71073","MoKα","","0.0178","0.0174","","","0.043","0.0432","","","","","","1.063","","","","has coordinates","287388","2023-11-06","08:02:34",""
"7062750","15.539","0.0014","12.2853","0.0011","17.8374","0.0016","90","","90","","90","","3405.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H46 Cl6 N4 O4 Te -","- C22 H46 Cl6 N4 O4 Te -","- C88 H184 Cl24 N16 O16 Te4 -","4","0.5","","D’Arcy, Kenneth; Schäfer, Tim; De Franco, Michele; Ricco, Raffaele; Gandin, Valentina; Sanz Miguel, Pablo J.; Montagner, Diego","Unusual tellurium(iv) mediated cyclisation diols into dihydroxazoles with potential anticancer activity","New Journal of Chemistry","2023","47","39","18485","18491","10.1039/D3NJ03186A","","","0.71073","MoKα","","0.0284","0.0208","","","0.0506","0.055","","","","","","1.051","","","","has coordinates","287388","2023-11-06","08:02:34",""
"7062751","18.2699","0.0006","23.075","0.0008","23.4952","0.0008","90","","92.249","0.001","90","","9897.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 Au N2 P -","- C54 H55 Au N2 P -","- C432 H440 Au8 N16 P8 -","8","2","","Bardina, Elena E.; Shmelev, Nikita Y.; Albrekht, Yana N.; Koon, Winnie Ka Yiu; Abramov, Pavel A.; Mirzaeva, Irina V.; Sheven’, Dmitriy G.; Makotchenko, Evgeniya V.; Fomenko, Iakov S.; Lukoyanov, Anton N.; Sokolov, Maxim N.; Babak, Maria V.; Gushchin, Artem L.","Gold(i) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry","New Journal of Chemistry","2023","47","39","18251","18259","10.1039/D3NJ03334A","","","0.71073","MoKα","","0.0592","0.0358","","","0.0707","0.0754","","","","","","1.001","","","","has coordinates,has disorder","287391","2023-11-06","08:03:12",""
"7062752","8.7066","0.0004","15.2314","0.001","34.7368","0.0017","90","","95.214","0.002","90","","4587.5","0.4","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43.25 H38.5 Au Cl0.5 F3 N O4 P S -","- C43.25 H38.5 Au Cl0.5 F3 N O4 P S -","- C173 H154 Au4 Cl2 F12 N4 O16 P4 S4 -","4","1","","Bardina, Elena E.; Shmelev, Nikita Y.; Albrekht, Yana N.; Koon, Winnie Ka Yiu; Abramov, Pavel A.; Mirzaeva, Irina V.; Sheven’, Dmitriy G.; Makotchenko, Evgeniya V.; Fomenko, Iakov S.; Lukoyanov, Anton N.; Sokolov, Maxim N.; Babak, Maria V.; Gushchin, Artem L.","Gold(i) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry","New Journal of Chemistry","2023","47","39","18251","18259","10.1039/D3NJ03334A","","x-ray","0.71073","MoKα","","0.0707","0.0473","","","0.1175","0.1243","","","","","","1.064","","","","has coordinates,has disorder","287391","2023-11-06","08:03:12",""
"7062753","11.1358","0.0004","11.5238","0.0005","17.4708","0.0007","104.247","0.002","95.59","0.002","104.326","0.002","2075.31","0.15","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C45.5 H36 Au Cl F3 N2 O3 P S -","- C45.5 H36 Au Cl F3 N2 O3 P S -","- C91 H72 Au2 Cl2 F6 N4 O6 P2 S2 -","2","1","","Bardina, Elena E.; Shmelev, Nikita Y.; Albrekht, Yana N.; Koon, Winnie Ka Yiu; Abramov, Pavel A.; Mirzaeva, Irina V.; Sheven’, Dmitriy G.; Makotchenko, Evgeniya V.; Fomenko, Iakov S.; Lukoyanov, Anton N.; Sokolov, Maxim N.; Babak, Maria V.; Gushchin, Artem L.","Gold(i) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry","New Journal of Chemistry","2023","47","39","18251","18259","10.1039/D3NJ03334A","","","0.71073","MoKα","","0.0756","0.0535","","","0.1182","0.128","","","","","","1.013","","","","has coordinates","287391","2023-11-06","08:03:12",""
"7062754","10.3238","0.0004","12.2164","0.0005","17.0788","0.0008","92.89","0.001","96.36","0.001","114.033","0.001","1944.28","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H35 Au F3 N2 O3 P S -","- C45 H35 Au F3 N2 O3 P S -","- C90 H70 Au2 F6 N4 O6 P2 S2 -","2","1","","Bardina, Elena E.; Shmelev, Nikita Y.; Albrekht, Yana N.; Koon, Winnie Ka Yiu; Abramov, Pavel A.; Mirzaeva, Irina V.; Sheven’, Dmitriy G.; Makotchenko, Evgeniya V.; Fomenko, Iakov S.; Lukoyanov, Anton N.; Sokolov, Maxim N.; Babak, Maria V.; Gushchin, Artem L.","Gold(i) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry","New Journal of Chemistry","2023","47","39","18251","18259","10.1039/D3NJ03334A","","","0.71073","MoKα","","0.0623","0.043","","","0.0925","0.0989","","","","","","0.957","","","","has coordinates","287391","2023-11-06","08:03:12",""
"7062755","12.4547","0.0005","12.4059","0.0005","17.6397","0.0007","90","","90","","90","","2725.54","0.19","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H22 Ir N O12 Ru3 -","- C20 H22 Ir N O12 Ru3 -","- C80 H88 Ir4 N4 O48 Ru12 -","4","0.5","","Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions","New Journal of Chemistry","2023","47","41","19289","19303","10.1039/D3NJ03478J","","","0.71073","MoKα","","0.0753","0.0734","","","0.1898","0.1915","","","","","","1.163","","","","has coordinates,has disorder","287365","2023-11-06","07:56:56",""
"7062756","8.2134","0.0005","9.0794","0.0006","13.519","0.0008","82.711","0.002","80.357","0.002","68.689","0.002","923.55","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H3 Ir O12 Ru3 -","- C12 H3 Ir O12 Ru3 -","- C24 H6 Ir2 O24 Ru6 -","2","1","","Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions","New Journal of Chemistry","2023","47","41","19289","19303","10.1039/D3NJ03478J","","","0.71073","MoKα","","0.0342","0.0336","","","0.0871","0.0875","","","","","","1.117","","","","has coordinates","287365","2023-11-06","07:56:57",""
"7062757","11.966","0.002","19.837","0.004","15.038","0.003","90","","91.344","0.007","90","","3568.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 N2 O12 Rh Ru3 -","- C28 H41 N2 O12 Rh Ru3 -","- C112 H164 N8 O48 Rh4 Ru12 -","4","1","","Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions","New Journal of Chemistry","2023","47","41","19289","19303","10.1039/D3NJ03478J","","","0.71073","MoKα","","0.1372","0.1235","","","0.3154","0.3323","","","","","","1.15","","","","has coordinates,has disorder","287365","2023-11-06","07:56:57",""
"7062758","15.1802","0.0011","17.3645","0.0013","15.3305","0.0012","90","","104.418","0.002","90","","3913.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 Cl6 Ir2 N2 O9 Ru2 -","- C25 H40 Cl6 Ir2 N2 O9 Ru2 -","- C100 H160 Cl24 Ir8 N8 O36 Ru8 -","4","1","","Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions","New Journal of Chemistry","2023","47","41","19289","19303","10.1039/D3NJ03478J","","","0.71073","MoKα","","0.0314","0.0295","","","0.0583","0.0588","","","","","","1.237","","","","has coordinates,has disorder","287365","2023-11-06","07:56:57",""
"7062759","9.9846","0.0014","13.9514","0.0018","15.528","0.002","73.277","0.002","85.155","0.002","75.511","0.003","2005.5","0.5","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 Co N5 O11 -","- C45 H37 Co N5 O11 -","- C90 H74 Co2 N10 O22 -","2","1","","Yan, Mei-Hua; Ray, Manaswini; Wang, Jun; Lu, Lu; Zhang, Wei; Muddassir, Mohd.; Mohanty, Aurobinda","Structural diversity of three new Co(ii)-based MOFs as a UV light-driven photocatalyst: photocatalytic performance","New Journal of Chemistry","2023","47","41","19167","19176","10.1039/D3NJ03452F","","","0.71073","MoKα","","0.2014","0.1067","","","0.2809","0.3219","","","","","","1.149","","","","has coordinates","287373","2023-11-06","07:58:35",""
"7062760","18.3153","0.0004","19.6079","0.0006","8.6585","0.0002","90","","90","","90","","3109.48","0.14","212.99","0.1","212.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H46 Co2 N8 O12 -","- C60 H46 Co2 N8 O12 -","- C120 H92 Co4 N16 O24 -","2","0.5","","Yan, Mei-Hua; Ray, Manaswini; Wang, Jun; Lu, Lu; Zhang, Wei; Muddassir, Mohd.; Mohanty, Aurobinda","Structural diversity of three new Co(ii)-based MOFs as a UV light-driven photocatalyst: photocatalytic performance","New Journal of Chemistry","2023","47","41","19167","19176","10.1039/D3NJ03452F","","x-ray","1.54184","CuKα","","0.0878","0.0779","","","0.1876","0.1946","","","","","","1.056","","","","has coordinates","287373","2023-11-06","07:58:38",""
"7062761","11.1329","0.0003","11.1958","0.0003","17.3063","0.0004","84.085","0.002","78.096","0.002","67.442","0.003","1948.53","0.1","212.99","0.1","212.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H37 Co2 N5 O11 -","- C44 H37 Co2 N5 O11 -","- C88 H74 Co4 N10 O22 -","2","1","","Yan, Mei-Hua; Ray, Manaswini; Wang, Jun; Lu, Lu; Zhang, Wei; Muddassir, Mohd.; Mohanty, Aurobinda","Structural diversity of three new Co(ii)-based MOFs as a UV light-driven photocatalyst: photocatalytic performance","New Journal of Chemistry","2023","47","41","19167","19176","10.1039/D3NJ03452F","","x-ray","1.54184","CuKα","","0.0555","0.0494","","","0.1211","0.1244","","","","","","1.074","","","","has coordinates","287373","2023-11-06","07:58:42",""
"7062762","9.831","0.005","10.536","0.006","14.817","0.008","90.682","0.017","91.831","0.015","110.896","0.015","1432.6","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N2 S5 -","- C29 H32 N2 S5 -","- C58 H64 N4 S10 -","2","1","","Lee, Yelim; Kim, Joon Rae; Lee, Eunji","A benzothiazole-coupled NS4-donor macrocycle and its complexation-based dual-channel sensing for Hg2+: the influence of anions and structure–function relationship","New Journal of Chemistry","2023","47","43","19897","19905","10.1039/D3NJ03535B","","","0.71073","MoKα","","0.1161","0.0671","","","0.1895","0.2291","","","","","","1.032","","","","has coordinates,has disorder","288834","2024-01-06","08:43:18",""
"7062763","8.6176","0.0002","19.1568","0.0004","22.9808","0.0004","90","","94.721","0.001","90","","3780.93","0.14","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Hg2 I4 N2 S5 -","- C29 H32 Hg2 I4 N2 S5 -","- C116 H128 Hg8 I16 N8 S20 -","4","1","","Lee, Yelim; Kim, Joon Rae; Lee, Eunji","A benzothiazole-coupled NS4-donor macrocycle and its complexation-based dual-channel sensing for Hg2+: the influence of anions and structure–function relationship","New Journal of Chemistry","2023","47","43","19897","19905","10.1039/D3NJ03535B","","","0.71073","MoKα","","0.0406","0.031","","","0.0676","0.0716","","","","","","1.038","","","","has coordinates","288834","2024-01-06","08:43:22",""
"7062764","16.9228","0.0004","10.5794","0.0002","18.136","0.0004","90","","90","","90","","3246.94","0.12","150","0.1","150","0.1","","","","","","","","8","P m n 21","P 2ac -2","31","","C71H60Cl2N4O5RuS2","","- C71 H60 Cl2 N4 O5 P2 Ru S2 -","- C71 H60 Cl2 N4 O5 P2 Ru S2 -","- C142 H120 Cl4 N8 O10 P4 Ru2 S4 -","2","0.5","","Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar","Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature","New Journal of Chemistry","2023","47","42","19428","19438","10.1039/D3NJ04221A","","x-ray","0.71073","MoKα","","0.0477","0.0398","","","0.0828","0.0877","","","","","","1.046","","","","has coordinates,has disorder","287377","2023-11-06","08:00:00",""
"7062765","12.219","0.0005","12.8734","0.0005","17.3515","0.0006","98.711","0.003","91.236","0.003","94.357","0.003","2688.6","0.18","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","C55H42Cl4N6O5P2RuS2","","- C55 H42 Cl4 N6 O5 P2 Ru S2 -","- C55 H42 Cl4 N6 O5 P2 Ru S2 -","- C110 H84 Cl8 N12 O10 P4 Ru2 S4 -","2","1","","Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar","Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature","New Journal of Chemistry","2023","47","42","19428","19438","10.1039/D3NJ04221A","","x-ray","0.71073","MoKα","","0.0587","0.0464","","","0.1106","0.1177","","","","","","1.098","","","","has coordinates","287377","2023-11-06","08:00:10",""
"7062766","19.497","0.0003","14.2023","0.0002","32.8171","0.0005","90","","90","","90","","9087.1","0.2","150","0.1","150","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","C51H38Cl2N4O5P2RuS2","","- C51 H38 Cl1.8 N4 O4.2 P2 Ru S2 -","- C51 H38 Cl1.8 N4 O4.2 P2 Ru S2 -","- C408 H304 Cl14.4 N32 O33.6 P16 Ru8 S16 -","8","1","","Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar","Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature","New Journal of Chemistry","2023","47","42","19428","19438","10.1039/D3NJ04221A","","x-ray","0.71073","MoKα","","0.0524","0.041","","","0.0966","0.1026","","","","","","1.065","","","","has coordinates,has disorder","287377","2023-11-06","08:00:15",""
"7062767","15.3023","0.0002","19.7017","0.0002","19.7178","0.0002","90","","106.16","0.001","90","","5709.67","0.11","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 O8 S4 -","- C60 H72 O8 S4 -","- C240 H288 O32 S16 -","4","1","","Fatykhova, Aigul M.; Sultanova, Elza D.; Burilov, Vladimir A.; Gafiatullin, Bulat Kh.; Fedoseeva, Angelina A.; Veshta, Tatyana A.; Ziganshin, Marat A.; Ziganshina, Sufia A.; Evtugyn, Vladimir G.; Islamov, Daut R.; Usachev, Konstantin S.; Solovieva, Svetlana E.; Antipin, Igor S.","Gallic acid-based dendrimers with a thiacalix[4]arene core: synthesis, aggregation and use for stabilization of Pd nanoparticles","New Journal of Chemistry","2023","47","41","19223","19234","10.1039/D3NJ03403H","","x-ray","1.54184","CuKα","","0.0706","0.0672","","","0.1906","0.1945","","","","","","1.045","","","","has coordinates,has disorder","287375","2023-11-06","07:59:27",""
"7062768","13.14781","0.00015","26.9146","0.0003","15.17255","0.00019","90","","90.3359","0.0011","90","","5368.99","0.11","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H76 O6 S4 -","- C58 H76 O6 S4 -","- C232 H304 O24 S16 -","4","1","","Fatykhova, Aigul M.; Sultanova, Elza D.; Burilov, Vladimir A.; Gafiatullin, Bulat Kh.; Fedoseeva, Angelina A.; Veshta, Tatyana A.; Ziganshin, Marat A.; Ziganshina, Sufia A.; Evtugyn, Vladimir G.; Islamov, Daut R.; Usachev, Konstantin S.; Solovieva, Svetlana E.; Antipin, Igor S.","Gallic acid-based dendrimers with a thiacalix[4]arene core: synthesis, aggregation and use for stabilization of Pd nanoparticles","New Journal of Chemistry","2023","47","41","19223","19234","10.1039/D3NJ03403H","","x-ray","1.54184","CuKα","","0.065","0.0627","","","0.1662","0.1691","","","","","","1.058","","","","has coordinates,has disorder","287375","2023-11-06","07:59:31",""
"7062769","7.602","0.002","10.285","0.003","12.821","0.004","88.415","0.008","87.473","0.008","73.566","0.008","960.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O -","- C24 H18 N4 O -","- C48 H36 N8 O2 -","2","1","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Terminal substituent-induced differential aggregation and sensing properties: A case study of neutral benzimidazole-based urea receptors","New Journal of Chemistry","2023","47","42","19625","19632","10.1039/D3NJ03806H","","","0.71073","MoKα","","0.0473","0.0388","","","0.1308","0.147","","","","","","1.087","","","","has coordinates","287382","2023-11-06","08:01:02",""
"7062770","16.878","0.009","24.478","0.013","8.566","0.005","90","","90","","90","","3539","3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N5 O -","- C21 H15 N5 O -","- C168 H120 N40 O8 -","8","2","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Terminal substituent-induced differential aggregation and sensing properties: A case study of neutral benzimidazole-based urea receptors","New Journal of Chemistry","2023","47","42","19625","19632","10.1039/D3NJ03806H","","","0.71073","MoKα","","0.1013","0.0809","","","0.2004","0.2132","","","","","","1.074","","","","has coordinates","287382","2023-11-06","08:01:03",""
"7062771","18.198","0.0014","11.6386","0.0009","18.3823","0.0014","90","","90","","90","","3893.4","0.5","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H55 N5 O5 S -","- C40 H55 N5 O5 S -","- C160 H220 N20 O20 S4 -","4","1","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Terminal substituent-induced differential aggregation and sensing properties: A case study of neutral benzimidazole-based urea receptors","New Journal of Chemistry","2023","47","42","19625","19632","10.1039/D3NJ03806H","","","0.71073","MoKα","","0.0966","0.0628","","","0.1588","0.1875","","","","","","1.165","","","","has coordinates","287382","2023-11-06","08:01:03",""
"7062772","23.1895","0.0012","3.6111","0.0002","16.0327","0.0009","90","","93.365","0.004","90","","1340.26","0.13","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 N18 O -","- C4 H12 N18 O -","- C16 H48 N72 O4 -","4","0.5","","Li, Qiaoli; Li, Shenshen; Xiao, Jijun","Exploring high-energy and low-sensitivity energetic compounds based on experiments and DFT studies","New Journal of Chemistry","2023","47","42","19523","19528","10.1039/D3NJ03514J","","","1.54178","CuKα","","0.084","0.0633","","","0.1614","0.1808","","","","","","1.065","","","","has coordinates","287380","2023-11-06","08:00:43",""
"7062773","4.1874","0.0002","20.8052","0.0011","11.0045","0.0007","90","","94.281","0.005","90","","956.03","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu I N4 -","- C7 H6 Cu I N4 -","- C28 H24 Cu4 I4 N16 -","4","1","","Mishra, Shivendu; Pandey, Dilip; Mishra, Kulbhushan; Viau, Lydie; Raghuvanshi, Abhinav","Copper(i) iodide coordination polymers with triazole substituted pyridine ligands: photophysical and electrical conductivity properties","New Journal of Chemistry","2023","47","42","19751","19759","10.1039/D3NJ02303F","","x-ray","0.71073","MoKα","","0.0714","0.0563","","","0.1538","0.1627","","","","","","1.099","","","","has coordinates","287381","2023-11-06","08:00:52",""
"7062774","4.3131","0.0001","16.4341","0.0006","12.8515","0.0004","90","","97.98","0.003","90","","902.12","0.05","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu I N4 -","- C7 H6 Cu I N4 -","- C28 H24 Cu4 I4 N16 -","4","1","","Mishra, Shivendu; Pandey, Dilip; Mishra, Kulbhushan; Viau, Lydie; Raghuvanshi, Abhinav","Copper(i) iodide coordination polymers with triazole substituted pyridine ligands: photophysical and electrical conductivity properties","New Journal of Chemistry","2023","47","42","19751","19759","10.1039/D3NJ02303F","","x-ray","0.71073","MoKα","","0.0351","0.0292","","","0.0656","0.0698","","","","","","1.056","","","","has coordinates","287381","2023-11-06","08:00:53",""
"7062775","7.8402","0.0004","8.1337","0.0005","9.0972","0.0004","107.503","0.004","101.344","0.004","113.872","0.006","471.01","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Cu I N4 -","- C7 H6 Cu I N4 -","- C14 H12 Cu2 I2 N8 -","2","1","","Mishra, Shivendu; Pandey, Dilip; Mishra, Kulbhushan; Viau, Lydie; Raghuvanshi, Abhinav","Copper(i) iodide coordination polymers with triazole substituted pyridine ligands: photophysical and electrical conductivity properties","New Journal of Chemistry","2023","47","42","19751","19759","10.1039/D3NJ02303F","","","0.71073","MoKα","","0.054","0.0393","","","0.0937","0.101","","","","","","1.076","","","","has coordinates","287381","2023-11-06","08:00:53",""
"7062776","24.4648","0.0005","13.2516","0.0003","17.9929","0.0004","90","","96.509","0.004","90","","5795.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cl2 Fe N7 P3 -","- C24 H32 Cl2 Fe N7 P3 -","- C192 H256 Cl16 Fe8 N56 P24 -","8","1","","Cemaloğlu, Reşit; Berberoğlu, İpek; Yakut, Mehtap; Binici, Arzu; Asmafiliz, Nuran; Kılıç, Zeynel; Güzel, Remziye; Erdal, Gülbahar; Şimşek, Hülya; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 71. Novel unsymmetrically-substituted dispiro-cyclotriphosphazenes: synthesis, characterization, antituberculosis activity, and phototunable charge storage studies","New Journal of Chemistry","2023","47","42","19788","19800","10.1039/D3NJ04099B","","","0.71073","MoKα","","0.0506","0.0394","","","0.1063","0.1139","","","","","","1.031","","","","has coordinates","287379","2023-11-06","08:00:36",""
"7062777","9.2452","0.0003","13.7117","0.0004","13.9344","0.0004","61.558","0.003","73.944","0.004","86.461","0.004","1487.5","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 Fe N7 P3 -","- C26 H36 Cl2 Fe N7 P3 -","- C52 H72 Cl4 Fe2 N14 P6 -","2","1","","Cemaloğlu, Reşit; Berberoğlu, İpek; Yakut, Mehtap; Binici, Arzu; Asmafiliz, Nuran; Kılıç, Zeynel; Güzel, Remziye; Erdal, Gülbahar; Şimşek, Hülya; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 71. Novel unsymmetrically-substituted dispiro-cyclotriphosphazenes: synthesis, characterization, antituberculosis activity, and phototunable charge storage studies","New Journal of Chemistry","2023","47","42","19788","19800","10.1039/D3NJ04099B","","","0.71073","MoKα","","0.0367","0.0302","","","0.0739","0.0773","","","","","","1.041","","","","has coordinates","287379","2023-11-06","08:00:36",""
"7062778","12.8499","0.0004","9.6368","0.0003","23.273","0.0006","90","","92.851","0.003","90","","2878.37","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl2 Fe N7 P3 -","- C25 H34 Cl2 Fe N7 P3 -","- C100 H136 Cl8 Fe4 N28 P12 -","4","1","","Cemaloğlu, Reşit; Berberoğlu, İpek; Yakut, Mehtap; Binici, Arzu; Asmafiliz, Nuran; Kılıç, Zeynel; Güzel, Remziye; Erdal, Gülbahar; Şimşek, Hülya; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 71. Novel unsymmetrically-substituted dispiro-cyclotriphosphazenes: synthesis, characterization, antituberculosis activity, and phototunable charge storage studies","New Journal of Chemistry","2023","47","42","19788","19800","10.1039/D3NJ04099B","","","0.71073","MoKα","","0.0473","0.0346","","","0.0814","0.0877","","","","","","1.041","","","","has coordinates","287379","2023-11-06","08:00:36",""
"7062779","12.746","0.0001","13.9888","0.0001","20.3905","0.0002","75.674","0.001","80.412","0.001","86.085","0.001","3471.99","0.05","170.07","0.11","170.07","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C57 H56 Dy4 F4 N22 O20 -","- C57 H56 Dy4 F4 N22 O20 -","- C114 H112 Dy8 F8 N44 O40 -","2","1","","Liu, Cai-Ming; Hao, Xiang","Anion-dependent dysprosium(iii) cluster single-molecule magnets","New Journal of Chemistry","2023","47","40","18849","18855","10.1039/D3NJ03610C","","x-ray","0.71073","MoKα","","0.0218","0.0207","","","0.0544","0.0551","","","","","","1.04","","","","has coordinates,has disorder","287395","2023-11-06","08:04:21",""
"7062780","14.2124","0.0002","26.5826","0.0004","26.3977","0.0005","90","","101.575","0.0017","90","","9770.3","0.3","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H71 Cl2 Dy6 F6 N24 O27 -","- C80 H71 Cl2 Dy6 F6 N24 O27 -","- C320 H284 Cl8 Dy24 F24 N96 O108 -","4","1","","Liu, Cai-Ming; Hao, Xiang","Anion-dependent dysprosium(iii) cluster single-molecule magnets","New Journal of Chemistry","2023","47","40","18849","18855","10.1039/D3NJ03610C","","x-ray","0.71073","MoKα","","0.0904","0.0794","","","0.2064","0.2122","","","","","","1.098","","","","has coordinates,has disorder","287395","2023-11-06","08:04:21",""
"7062781","7.0893","0.0004","20.2335","0.001","11.9947","0.0006","90","","102.238","0.001","90","","1681.44","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Ag2 N10 O8 -","- C32 H32 Ag2 N10 O8 -","- C64 H64 Ag4 N20 O16 -","2","0.5","","Gahlaut, Puneet Singh; Gautam, Deepak; Shekhawat, Bhawana; Kushwaha, Shivani; Jana, Barun","Simultaneous N2 and N3 coordination of inverse triazolyl-pyridine ligands in Ag(i) complexes: synthesis, structure, and application in the A3 coupling reaction to propargylamine under solvent free and low catalyst loading conditions","New Journal of Chemistry","2023","47","43","19953","19962","10.1039/D3NJ03820C","","","0.71073","MoKα","","0.0319","0.0292","","","0.121","0.1247","","","","","","1.041","","","","has coordinates","288832","2024-01-06","08:42:50",""
"7062782","7.1071","0.0002","9.7716","0.0003","11.4905","0.0003","75.939","0.001","85.843","0.001","85.518","0.001","770.53","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Ag2 N10 O8 -","- C30 H28 Ag2 N10 O8 -","- C30 H28 Ag2 N10 O8 -","1","0.5","","Gahlaut, Puneet Singh; Gautam, Deepak; Shekhawat, Bhawana; Kushwaha, Shivani; Jana, Barun","Simultaneous N2 and N3 coordination of inverse triazolyl-pyridine ligands in Ag(i) complexes: synthesis, structure, and application in the A3 coupling reaction to propargylamine under solvent free and low catalyst loading conditions","New Journal of Chemistry","2023","47","43","19953","19962","10.1039/D3NJ03820C","","","0.71073","MoKα","","0.0155","0.0151","","","0.0407","0.041","","","","","","1.072","","","","has coordinates","288832","2024-01-06","08:42:54",""
"7062783","11.6202","0.0011","19.455","0.002","16.1507","0.0018","90","","101.367","0.004","90","","3579.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H83 Co2 Li2 N3 O16 -","- C70 H83 Co2 Li2 N3 O16 -","- C140 H166 Co4 Li4 N6 O32 -","2","1","","Yambulatov, Dmitriy S.; Nikolaevskii, Stanislav A.; Lukoyanov, Anton N.; Shmelev, Maxim A.; Voronina, Julia K.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","A new cobalt(ii)–lithium(i) carboxylate complex with an N,O-donor mono-iminoacenaphthenone ligand: synthesis, structure and magnetic behavior","New Journal of Chemistry","2023","47","42","19362","19366","10.1039/D3NJ04144A","","","0.71073","MoKα","","0.1644","0.084","","","0.1764","0.2137","","","","","","0.977","","","","has coordinates,has disorder","287376","2023-11-06","07:59:48",""
"7062784","19.6087","0.0018","19.598","0.002","21.824","0.002","96.965","0.006","91.065","0.005","95.046","0.006","8289","1.4","225","","225","","","","","","","","","4","P -1","-P 1","2","","","","- C95 H114 Cl2 O16 -","- C90 H96 O12 -","- C360 H384 O48 -","4","2","","Zhang, Guojiao; Li, Zhengxiang; Pan, Zhen; Zhao, Dezhi; Han, Chengyou","A facile and efficient preparation of prism[6]arene and its dual responsive complexation with 1-adamantane ammonium tetrakis[3,5-bis(trifluoromethyl)-phenyl]borate","New Journal of Chemistry","2023","47","41","18910","18913","10.1039/D3NJ03586G","","","1.34139","GaKα","","0.2067","0.1071","","","0.2846","0.3527","","","","","","1.07","","","","has coordinates,has disorder","287371","2023-11-06","07:58:17",""
"7062785","8.9711","0.0017","13.666","0.003","14.756","0.003","90","","90","","90","","1809.1","0.6","210","2","210","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H16 Ce N O12 -","- C16 H9 Ce N O9 -","- C64 H36 Ce4 N4 O36 -","4","0.5","","Zhao, Peiran; Liu, Yuqian; He, Cheng; Duan, Chunying","A dual-functional 3D cerium MOF heterogeneous catalyst for catalysing Knoevenagel condensation and cyanosilylation","New Journal of Chemistry","2023","47","41","19114","19121","10.1039/D3NJ02630B","","","0.71073","MoKα","","0.0282","0.0252","","","0.0666","0.0697","","","","","","1.0642","","","","has coordinates","287374","2023-11-06","07:59:01",""
"7062786","8.9732","0.0006","13.3957","0.0008","14.6655","0.0009","90","","90","","90","","1762.83","0.19","296","2","296","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H16 N O12 Tb -","- C16 H9 N O9 Tb -","- C64 H36 N4 O36 Tb4 -","4","0.5","","Zhao, Peiran; Liu, Yuqian; He, Cheng; Duan, Chunying","A dual-functional 3D cerium MOF heterogeneous catalyst for catalysing Knoevenagel condensation and cyanosilylation","New Journal of Chemistry","2023","47","41","19114","19121","10.1039/D3NJ02630B","","","0.71073","MoKα","","0.0503","0.0358","","","0.0733","0.0799","","","","","","1.0523","","","","has coordinates","287374","2023-11-06","07:59:04",""
"7062787","9.4336","0.0012","21.056","0.003","11.5841","0.0014","90","","104.669","0.002","90","","2226","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 F6 N3 P Ru -","- C19 H26 F6 N3 P Ru -","- C76 H104 F24 N12 P4 Ru4 -","4","1","","Mochida, Tomoyuki; Maekawa, Syou; Sumitani, Ryo","Ionic liquids containing half-sandwich ruthenium complexes: in situ interconversions via photochemical and thermal ligand exchange","New Journal of Chemistry","2023","47","41","19096","19102","10.1039/D3NJ03953F","","","0.71073","MoKα","","0.0569","0.0355","","","0.0661","0.0726","","","","","","0.991","","","","has coordinates,has disorder","287369","2023-11-06","07:57:54",""
"7062788","5.8887","0.0008","8.3187","0.0012","9.4843","0.0013","108.948","0.003","94.92","0.004","93.497","0.004","435.86","0.11","423.15","","423.15","","","","","","","","","4","P 1","P 1","1","","DK-CP-504","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C21 H25 N O3 -","1","1","","Shukla, Jyoti; Gangwar, Manoj Kumar; Koley, Dipankar","Total synthesis of (−)-δ-lycorane","New Journal of Chemistry","2023","47","41","18900","18904","10.1039/D3NJ03567K","","x-ray","0.71073","MoKα","","0.0481","0.0419","","","0.0981","0.1049","","","","","","1.057","","","","has coordinates","287368","2023-11-06","07:57:47",""
"7062789","16.2257","0.0006","16.2257","0.0006","38.4293","0.0018","90","","90","","90","","10117.4","0.7","150","","150","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H59 Cr2 Gd2 O41.5 -","- C30 H59 Cr2 Gd2 O41.5 -","- C240 H472 Cr16 Gd16 O332 -","8","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.039","0.0315","","","0.064","0.067","","","","","","1.037","","","","has coordinates,has disorder","287367","2023-11-06","07:57:38",""
"7062790","16.2371","0.0006","16.2371","0.0006","20.3655","0.0011","90","","90","","90","","5369.2","0.4","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C30 H48 Cr2 Ho2 O37 -","- C30 H48 Cr2 Ho2 O37 -","- C120 H192 Cr8 Ho8 O148 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0622","0.0594","","","0.1592","0.1629","","","","","","1.095","","","","has coordinates,has disorder","287367","2023-11-06","07:57:39",""
"7062791","8.3636","0.0004","12.1817","0.0006","14.06","0.0006","90","","97.025","0.002","90","","1421.72","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cr O12 -","- C10 H17 Cr O12 -","- C40 H68 Cr4 O48 -","4","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0397","0.0347","","","0.0961","0.0987","","","","","","1.208","","","","has coordinates","287367","2023-11-06","07:57:39",""
"7062792","16.2441","0.0003","16.2441","0.0003","38.4605","0.0017","90","","90","","90","","10148.6","0.5","150","2","150","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H59 Cr2 Eu2 O41.5 -","- C30 H59 Cr2 Eu2 O41.5 -","- C240 H472 Cr16 Eu16 O332 -","8","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0269","0.0242","","","0.0559","0.057","","","","","","1.042","","","","has coordinates,has disorder","287367","2023-11-06","07:57:39",""
"7062793","16.2441","0.0003","16.2441","0.0003","38.4605","0.0017","90","","90","","90","","10148.6","0.5","150","","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H59 Cr2 O41.5 Tb2 -","- C30 H59 Cr2 O41.5 Tb2 -","- C240 H472 Cr16 O332 Tb16 -","8","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0287","0.025","","","0.0554","0.0572","","","","","","1.034","","","","has coordinates,has disorder","287367","2023-11-06","07:57:39",""
"7062794","16.2542","0.0002","13.27296","0.00018","20.1916","0.0004","90","","107.84","0.0015","90","","4146.7","0.12","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 B20 O4 -","- C40 H44 B20 O4 -","- C160 H176 B80 O16 -","4","1","","Fu, Meigui; Yuan, Shuai; Qu, Qi; Yuan, Yaofeng; Lin, Caixia; Geng, Yanhou","The synthesis and topochemical polymerization of o-carborane-based diacetylene macrocycles","New Journal of Chemistry","2023","47","47","21714","21719","10.1039/D3NJ03491G","","","1.54184","CuKα","","0.0433","0.0391","","","0.1098","0.1129","","","","","","1.05","","","","has coordinates","288843","2024-01-06","08:52:03",""
"7062795","10.8158","0.0003","27.3194","0.0006","9.4186","0.0003","90","","113.082","0.003","90","","2560.22","0.13","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H47 B20 Cl3 O4 -","- C40 H44 B20 O4 -","- C80 H88 B40 O8 -","2","0.5","","Fu, Meigui; Yuan, Shuai; Qu, Qi; Yuan, Yaofeng; Lin, Caixia; Geng, Yanhou","The synthesis and topochemical polymerization of o-carborane-based diacetylene macrocycles","New Journal of Chemistry","2023","47","47","21714","21719","10.1039/D3NJ03491G","","","1.54184","CuKα","","0.0781","0.0686","","","0.1669","0.1735","","","","","","1.0367","","","","has coordinates","288843","2024-01-06","08:53:12",""
"7062796","13.4503","0.0004","18.6694","0.0006","19.4636","0.0006","76.772","0.001","79.345","0.001","87.352","0.001","4675.7","0.3","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H45 N3 O2 P2 Ru S -","- C58 H45 N3 O2 P2 Ru S -","- C232 H180 N12 O8 P8 Ru4 S4 -","4","2","","Gayathri, Sekar; Kalaipriya, Ramajayam; Viswanathamurthi, Periasamy; Raju, Saravanan; Hrobarik, Peter","Ruthenium(II) CNN Pincer Complexes as Efficient Catalysts in Oxidative Annulation of Aromatic Acids with Alkynes to Isocoumarins","New Journal of Chemistry","2023","","","","","10.1039/D3NJ03745B","","","0.71073","MoKα","","0.0703","0.0436","","","0.0897","0.0993","","","","","","1.015","","","","has coordinates,has disorder","286950","2023-10-13","00:48:49",""
"7062797","9.5967","0.0013","23.825","0.003","24.227","0.004","90","","91.021","0.005","90","","5538.4","1.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H53 As2 N3 O2 Ru -","- C66 H53 As2 N3 O2 Ru -","- C264 H212 As8 N12 O8 Ru4 -","4","1","","Gayathri, Sekar; Kalaipriya, Ramajayam; Viswanathamurthi, Periasamy; Raju, Saravanan; Hrobarik, Peter","Ruthenium(II) CNN Pincer Complexes as Efficient Catalysts in Oxidative Annulation of Aromatic Acids with Alkynes to Isocoumarins","New Journal of Chemistry","2023","","","","","10.1039/D3NJ03745B","","","0.71073","MoKα","","0.1148","0.0682","","","0.1547","0.1766","","","","","","1.028","","","","has coordinates,has disorder","286950","2023-10-13","00:48:50",""
"7062798","13.6675","0.0006","18.7286","0.0007","19.5232","0.0007","76.3971","0.0015","78.429","0.0014","86.6551","0.0015","4758.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H45 As2 N3 O2 Ru S -","- C58 H45 As2 N3 O2 Ru S -","- C232 H180 As8 N12 O8 Ru4 S4 -","4","2","","Gayathri, Sekar; Kalaipriya, Ramajayam; Viswanathamurthi, Periasamy; Raju, Saravanan; Hrobarik, Peter","Ruthenium(II) CNN Pincer Complexes as Efficient Catalysts in Oxidative Annulation of Aromatic Acids with Alkynes to Isocoumarins","New Journal of Chemistry","2023","","","","","10.1039/D3NJ03745B","","","0.71073","MoKα","","0.0363","0.0255","","","0.0588","0.0635","","","","","","1.013","","","","has coordinates,has disorder","286950","2023-10-13","00:48:50",""
"7062799","36.778","0.004","36.778","0.004","36.778","0.004","90","","90","","90","","49747","9","200","2","200","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C20 H14 Co In N4 O8 -","- C20 H14 Co In N4 O8 -","- C1920 H1344 Co96 In96 N384 O768 -","96","0.5","","Abbas, Muhammad; Marti, Anne M.; Umer, Arslan; Joy, Monu; Yang, Ya-Ching; Wang, Sue-Lein; Balkus, Kenneth J.","Encapsulation of cobaltocenium ions in a zeolite-like metal–organic framework","New Journal of Chemistry","2023","47","46","21159","21167","10.1039/D3NJ03663D","","","0.71073","MoKα","","0.0335","0.0273","","","0.0586","0.0632","","","","","","1.228","","","","has coordinates,has disorder","288839","2024-01-06","08:47:28",""
"7062800","9.1787","0.0005","9.192","0.0005","11.2622","0.0006","105.164","0.002","92.91","0.002","109.138","0.002","856.66","0.08","302","2","302","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Samyuktha, Arimalai Dinakararaja; Ethiraj, Kannatt Radhakrishnan; Shanmugam, Ponnusamy","Unusual participation of O-propargyl group during the cyclization of 6-hydroxy-2-propargyl ethers of aryl chalcones: one-pot synthesis of 2-acyl-3-styrylbenzofuran and 7-aryldibenzo[b,d]furan-1,7-diols","New Journal of Chemistry","2023","47","45","20818","20830","10.1039/D3NJ03766E","","","0.71073","MoKα","","0.0713","0.0465","","","0.1138","0.1366","","","","","","0.954","","","","has coordinates","288858","2024-01-06","09:04:23",""
"7062801","11.3959","0.0007","17.1806","0.001","10.1872","0.0007","90","","113.005","0.002","90","","1835.9","0.2","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C96 H72 O12 -","4","1","","Samyuktha, Arimalai Dinakararaja; Ethiraj, Kannatt Radhakrishnan; Shanmugam, Ponnusamy","Unusual participation of O-propargyl group during the cyclization of 6-hydroxy-2-propargyl ethers of aryl chalcones: one-pot synthesis of 2-acyl-3-styrylbenzofuran and 7-aryldibenzo[b,d]furan-1,7-diols","New Journal of Chemistry","2023","47","45","20818","20830","10.1039/D3NJ03766E","","","0.71073","MoKα","","0.1001","0.049","","","0.107","0.1408","","","","","","1.024","","","","has coordinates","288858","2024-01-06","09:04:31",""
"7062802","10.4864","0.0011","10.049","0.0009","15.2051","0.0013","90","","89.824","0.003","90","","1602.3","0.3","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Samyuktha, Arimalai Dinakararaja; Ethiraj, Kannatt Radhakrishnan; Shanmugam, Ponnusamy","Unusual participation of O-propargyl group during the cyclization of 6-hydroxy-2-propargyl ethers of aryl chalcones: one-pot synthesis of 2-acyl-3-styrylbenzofuran and 7-aryldibenzo[b,d]furan-1,7-diols","New Journal of Chemistry","2023","47","45","20818","20830","10.1039/D3NJ03766E","","","0.71073","MoKα","","0.1002","0.0551","","","0.1238","0.152","","","","","","1.026","","","","has coordinates","288858","2024-01-06","09:04:35",""
"7062803","7.346","0.0003","13.5411","0.0006","9.8815","0.0004","90","","109.134","0.005","90","","928.64","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F O S -","- C11 H9 F O S -","- C44 H36 F4 O4 S4 -","4","1","","Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis","Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes","New Journal of Chemistry","2023","47","44","20642","20652","10.1039/D3NJ04313D","","","1.54184","CuKα","","0.0558","0.0528","","","0.1411","0.1451","","","","","","1.075","","","","has coordinates","288831","2024-01-06","08:41:59",""
"7062804","4.2581","0.0001","8.4237","0.0002","10.9697","0.0003","94.118","0.002","98.142","0.002","94.746","0.002","386.776","0.017","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 F N2 O -","- C9 H7 F N2 O -","- C18 H14 F2 N4 O2 -","2","1","","Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis","Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes","New Journal of Chemistry","2023","47","44","20642","20652","10.1039/D3NJ04313D","","","1.54184","CuKα","","0.0409","0.0379","","","0.1108","0.1142","","","","","","1.088","","","","has coordinates","288831","2024-01-06","08:42:05",""
"7062805","16.6303","0.0005","4.662","0.0002","18.9217","0.0006","90","","102.227","0.003","90","","1433.73","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F2 N3 O2 -","- C17 H13 F2 N3 O2 -","- C68 H52 F8 N12 O8 -","4","1","","Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis","Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes","New Journal of Chemistry","2023","47","44","20642","20652","10.1039/D3NJ04313D","","","1.54184","CuKα","","0.0734","0.0601","","","0.1523","0.1672","","","","","","1.065","","","","has coordinates","288831","2024-01-06","08:42:16",""
"7062806","6.7276","0.0004","7.3697","0.0004","9.4118","0.0005","72.213","0.005","73.348","0.005","69.557","0.005","407.8","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Cl F N2 -","- C9 H6 Cl F N2 -","- C18 H12 Cl2 F2 N4 -","2","1","","Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis","Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes","New Journal of Chemistry","2023","47","44","20642","20652","10.1039/D3NJ04313D","","","1.54184","CuKα","","0.0574","0.0538","","","0.1572","0.1624","","","","","","1.077","","","","has coordinates","288831","2024-01-06","08:42:20",""
"7062807","14.4989","0.0002","7.0904","0.0001","20.0236","0.0003","90","","90","","90","","2058.49","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H8 F4 N2 O -","- C11 H8 F4 N2 O -","- C88 H64 F32 N16 O8 -","8","1","","Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis","Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes","New Journal of Chemistry","2023","47","44","20642","20652","10.1039/D3NJ04313D","","","1.54184","CuKα","","0.039","0.0354","","","0.0986","0.102","","","","","","1.069","","","","has coordinates","288831","2024-01-06","08:42:26",""
"7062808","10.804","0.0003","13.0735","0.0003","15.6468","0.0004","109.235","0.001","97.967","0.002","107.316","0.001","1922.21","0.09","170","2","169.99","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H50 O9 -","- C43 H50 O9 -","- C86 H100 O18 -","2","1","","Liu, Yang; Wu, Yitao","Selective separation of 2,5-dimethylfuran and 2,5-dimethyltetrahydrofuran using nonporous adaptive crystals of a hybrid[3]arene","New Journal of Chemistry","2023","47","42","19746","19750","10.1039/D3NJ03837H","","x-ray","1.34139","GaKα","","0.1151","0.0807","","","0.2057","0.2377","","","","","","1.018","","","","has coordinates,has disorder","287383","2023-11-06","08:01:11",""
"7062809","9.72","0.0019","9.68","0.0019","10.8","0.002","90","","108","0.03","90","","966.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'2,4-dihydroxy-3,5-dinitrophenon'","","- C8 H6 N2 O7 -","- C8 H6 N2 O7 -","- C32 H24 N8 O28 -","4","1","","Zhang, Weidong; Zhou, Juanfang; Zhang, Chao; Liu, Xinliang","Aggregation-induced emission and reversible mechanoresponsive behavior of boryl substituted phenothiazine","New Journal of Chemistry","2023","47","44","20510","20516","10.1039/D3NJ04283A","","","0.71073","MoKα","","0.0663","0.0477","","","0.1196","0.1338","","","","","","1.145","","","","has coordinates","288828","2024-01-06","08:40:43",""
"7062810","4.9496","","4.9496","","20.48","","90","","90","","120","","434.511","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Magnesium Nickel Boride (3.17/6.83/2)","","- B2 Mg3.17 Ni6.83 -","- B2 Mg4 Ni7 -","- B6 Mg12 Ni21 -","3","0.0833333","","Zhang, Weidong; Zhou, Juanfang; Zhang, Chao; Liu, Xinliang","Aggregation-induced emission and reversible mechanoresponsive behavior of boryl substituted phenothiazine","New Journal of Chemistry","2023","47","44","20510","20516","10.1039/D3NJ04283A","","","","","","0.0121","","","","","","","","","","","","","","","has coordinates","288828","2024-01-06","08:40:48",""
"7062811","13.5233","0.0004","16.5378","0.0004","30.5504","0.0007","90","0.002","100.155","0.002","90","0.002","6725.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 B N S -","- C42 H38 B N S -","- C336 H304 B8 N8 S8 -","8","2","","Zhang, Weidong; Zhou, Juanfang; Zhang, Chao; Liu, Xinliang","Aggregation-induced emission and reversible mechanoresponsive behavior of boryl substituted phenothiazine","New Journal of Chemistry","2023","47","44","20510","20516","10.1039/D3NJ04283A","","","1.54184","CuKα","","0.0663","0.0548","","","0.1687","0.1825","","","","","","1.015","","","","has coordinates","288828","2024-01-06","08:40:53",""
"7062812","14.496","0.003","9.741","0.0019","16.453","0.003","90","","109.61","0.03","90","","2188.5","0.8","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Co3 N4 O14 -","- C40 H36 Co3 N4 O14 -","- C80 H72 Co6 N8 O28 -","2","0.5","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Enhancing the electrocatalytic OER activity of Co-MOFs through labile solvents coordination","New Journal of Chemistry","2023","47","45","20831","20837","10.1039/D3NJ03660J","","","0.61","synchrotron","","0.0779","0.0662","","","0.1859","0.1934","","","","","","1.001","","","","has coordinates,has disorder","288861","2024-01-06","09:05:44",""
"7062813","17.3774","0.0004","19.4464","0.0003","20.1641","0.0004","90","","97.8318","0.0019","90","","6750.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H45 Cl5 F17 N3 O8 -","- C60 H40 F17 N3 O8 -","- C240 H160 F68 N12 O32 -","4","0.5","","Pradhan, Sourav Ranjan; Murugavel, M.; Chitranshi, Sangya; Kim, Gakhyun; Kim, Dongho; Das, Mainak; Srinivasan, A.","Unveiling protonated form of 2,6-di-m-phenylpyridine embedded isosmaragdyrin analogue and its organo-Pd(ii) complex","New Journal of Chemistry","2023","47","43","19987","19992","10.1039/D3NJ03432A","","","1.54184","CuKα","","0.0784","0.0732","","","0.216","0.2201","","","","","","1.05","","","","has coordinates,has disorder","288836","2024-01-06","08:44:44",""
"7062814","12.7701","0.0002","13.7846","0.0002","14.2357","0.0002","92.442","0.001","111.581","0.002","102.638","0.002","2252.78","0.07","112.6","0.5","112.6","","","","","","","","","6","P -1","-P 1","2","","","","- C54.6 H42.9 Cl2 F5 N3 Pd -","- C52 H37 Cl F5 N3 Pd -","- C104 H74 Cl2 F10 N6 Pd2 -","2","1","","Pradhan, Sourav Ranjan; Murugavel, M.; Chitranshi, Sangya; Kim, Gakhyun; Kim, Dongho; Das, Mainak; Srinivasan, A.","Unveiling protonated form of 2,6-di-m-phenylpyridine embedded isosmaragdyrin analogue and its organo-Pd(ii) complex","New Journal of Chemistry","2023","47","43","19987","19992","10.1039/D3NJ03432A","","","1.54184","CuKα","","0.0966","0.0945","","","0.2425","0.2454","","","","","","1.13","","","","has coordinates","288836","2024-01-06","08:44:51",""
"7062815","7.8582","0.0016","11.705","0.002","25.438","0.005","92.653","0.005","98.148","0.005","98.08","0.005","2287.9","0.8","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cl Cu N5 O4 S2 -","- C20 H16 Cl Cu N5 O4 S2 -","- C80 H64 Cl4 Cu4 N20 O16 S8 -","4","2","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.0861","0.0628","","","0.166","0.1911","","","","","","1.068","","","","has coordinates","288835","2024-01-06","08:43:44",""
"7062816","9.728","0.012","11.627","0.014","12.805","0.015","77.374","0.013","69.379","0.012","84.417","0.013","1322","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H21 Cl Cu N6 O4 S2 -","- C23 H21 Cl Cu N6 O4 S2 -","- C46 H42 Cl2 Cu2 N12 O8 S4 -","2","1","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.1332","0.0704","","","0.1612","0.184","","","","","","0.884","","","","has coordinates","288835","2024-01-06","08:43:49",""
"7062817","9.647","0.0005","11.4872","0.0006","12.3607","0.0006","98.975","0.002","99.686","0.002","109.761","0.002","1236.82","0.11","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 Cl Cu N6 O4 S2 -","- C23 H17 Cl Cu N6 O4 S2 -","- C46 H34 Cl2 Cu2 N12 O8 S4 -","2","1","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.0546","0.0396","","","0.1021","0.1106","","","","","","1.028","","","","has coordinates","288835","2024-01-06","08:43:52",""
"7062818","9.5643","0.0004","11.7487","0.0006","12.358","0.0007","99.801","0.002","101.321","0.002","109.243","0.001","1243.47","0.11","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl Cu N5 O4 S2 -","- C24 H18 Cl Cu N5 O4 S2 -","- C48 H36 Cl2 Cu2 N10 O8 S4 -","2","1","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.0437","0.0341","","","0.091","0.0966","","","","","","1.033","","","","has coordinates","288835","2024-01-06","08:43:55",""
"7062819","8.012","0.0017","11.649","0.002","13.796","0.003","98.427","0.011","99.066","0.011","94.234","0.011","1251.6","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 Cl Cu N6 O4 S2 -","- C23 H19 Cl Cu N6 O4 S2 -","- C46 H38 Cl2 Cu2 N12 O8 S4 -","2","1","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.0771","0.0436","","","0.1025","0.1172","","","","","","1.045","","","","has coordinates","288835","2024-01-06","08:44:01",""
"7062820","11.047","0.0005","12.7855","0.0006","38.4549","0.0014","90","","97.282","0.001","90","","5387.6","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cl2 Cu2 N10 O9 S4 -","- C52 H40 Cl2 Cu2 N10 O9 S4 -","- C208 H160 Cl8 Cu8 N40 O36 S16 -","4","1","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.0792","0.0476","","","0.1123","0.1264","","","","","","1.031","","","","has coordinates","288835","2024-01-06","08:44:05",""
"7062821","8.091","0.002","27.271","0.007","11.092","0.003","90","","110.96","0.003","90","","2285.5","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl Cu N6 O4 S2 -","- C19 H17 Cl Cu N6 O4 S2 -","- C76 H68 Cl4 Cu4 N24 O16 S8 -","4","1","","Malakar, Kakoli; Selvakumaran, Balasubramaniam; Murali, Mariappan; Arul Prakash, Pitchan; Sangeetha, Somasundaram; Sohtun, Winaki P.; Jaabir, Mohamed Sultan Mohamed; Velusamy, Marappan","Copper(ii) complexes of the CuN4S core: selective cytotoxicity to cancerous cells, ROS generation and induction of apoptosis","New Journal of Chemistry","2023","47","43","20070","20087","10.1039/D2NJ06170H","","","0.71073","MoKα","","0.093","0.0472","","","0.1048","0.1247","","","","","","1.028","","","","has coordinates","288835","2024-01-06","08:44:09",""
"7062822","9.0915","0.0003","11.0372","0.0003","16.6969","0.0005","98.749","0.001","91.289","0.001","102.367","0.001","1614.89","0.08","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 N4 O2 P2 Se2 Zn -","- C24 H48 N4 O2 P2 Se2 Zn -","- C48 H96 N8 O4 P4 Se4 Zn2 -","2","1","","García-Guzmán, Oscar L.; Flores-Romero, Víctor; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel Ángel; Hernández-Ortega, Simón","Aerosol-assisted chemical vapor deposition of MSe and MSSe thin films using zinc(ii) and cadmium(ii) single source precursors containing hybrid Se,X-PNC ligands","New Journal of Chemistry","2023","47","45","21033","21048","10.1039/D3NJ04505F","","","0.71073","MoKα","","0.0386","0.029","","","0.0664","0.0703","","","","","","1.032","","","","has coordinates","288865","2024-01-06","09:09:09",""
"7062823","16.1883","0.0002","17.1917","0.0002","13.4805","0.0001","90","","113.114","0.001","90","","3450.52","0.07","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cd N4 P2 S2 Se2 -","- C24 H48 Cd N4 P2 S2 Se2 -","- C96 H192 Cd4 N16 P8 S8 Se8 -","4","0.5","","García-Guzmán, Oscar L.; Flores-Romero, Víctor; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel Ángel; Hernández-Ortega, Simón","Aerosol-assisted chemical vapor deposition of MSe and MSSe thin films using zinc(ii) and cadmium(ii) single source precursors containing hybrid Se,X-PNC ligands","New Journal of Chemistry","2023","47","45","21033","21048","10.1039/D3NJ04505F","","","0.71073","MoKα","","0.0397","0.0315","","","0.0793","0.084","","","","","","1.039","","","","has coordinates","288865","2024-01-06","09:09:18",""
"7062824","11.8582","0.0011","13.3662","0.0012","21.3305","0.0018","90","","102.189","0.005","90","","3304.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H96 Cd2 N8 O4 P4 Se4 -","- C48 H96 Cd2 N8 O4 P4 Se4 -","- C96 H192 Cd4 N16 O8 P8 Se8 -","2","0.5","","García-Guzmán, Oscar L.; Flores-Romero, Víctor; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel Ángel; Hernández-Ortega, Simón","Aerosol-assisted chemical vapor deposition of MSe and MSSe thin films using zinc(ii) and cadmium(ii) single source precursors containing hybrid Se,X-PNC ligands","New Journal of Chemistry","2023","47","45","21033","21048","10.1039/D3NJ04505F","","","0.71073","MoKα","","0.0569","0.0359","","","0.0752","0.0833","","","","","","1.029","","","","has coordinates,has disorder","288865","2024-01-06","09:09:21",""
"7062825","7.5908","0.0003","8.8473","0.0004","20.0914","0.0008","90","","90","","90","","1349.3","0.1","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","288864","2024-01-06","09:08:04",""
"7062826","7.0181","0.0004","7.1477","0.0004","7.1912","0.0004","73.654","0.001","72.829","0.001","83.609","0.001","330.57","0.03","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C15 H20 O4 -","1","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","1.54178","CuKα","","0.032","0.0316","","","0.0874","0.0881","","","","","","1.082","","","","has coordinates","288864","2024-01-06","09:08:19",""
"7062827","6.2156","0.0003","8.7329","0.0004","26.149","0.0011","90","","90","","90","","1419.37","0.11","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","1.54178","CuKα","","0.0418","0.0389","","","0.0964","0.0981","","","","","","1.061","","","","has coordinates","288864","2024-01-06","09:08:23",""
"7062828","9.9599","0.0005","23.1869","0.0011","23.1916","0.0016","117.896","0.003","98.197","0.003","98.285","0.002","4547.1","0.5","153","2","153","2","","","","","","","","3","P 1","P 1","1","","","","- C180 H323 O30 -","- C180 H323 O30 -","- C180 H323 O30 -","1","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","1.54178","CuKα","","0.0964","0.0583","","","0.1432","0.1682","","","","","","1.031","","","","has coordinates","288864","2024-01-06","09:08:37",""
"7062829","6.8785","0.0019","8.749","0.002","9.943","0.004","106.629","0.007","97.777","0.007","106.062","0.005","535.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N3 O -","- C4 H7 N3 O -","- C16 H28 N12 O4 -","4","2","","Sheremetev, Aleksei B.; Kozeev, Andrei S.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill Yu.","A mild and efficient synthesis of aminofurazans","New Journal of Chemistry","2023","47","45","21091","21097","10.1039/D3NJ03371F","","","0.71073","MoKα","","0.0785","0.0447","","","0.09","0.1031","","","","","","0.983","","","","has coordinates","288857","2024-01-06","09:03:32",""
"7062830","3.8205","0.0002","15.6562","0.001","12.191","0.0008","90","","94.496","0.001","90","","726.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O -","- C7 H6 N4 O -","- C28 H24 N16 O4 -","4","1","","Sheremetev, Aleksei B.; Kozeev, Andrei S.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill Yu.","A mild and efficient synthesis of aminofurazans","New Journal of Chemistry","2023","47","45","21091","21097","10.1039/D3NJ03371F","","","0.71073","MoKα","","0.0452","0.0367","","","0.088","0.0941","","","","","","1.087","","","","has coordinates","288857","2024-01-06","09:03:49",""
"7062831","5.4688","0.0007","6.1708","0.0008","20.871","0.003","90","","90","","90","","704.33","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 N3 O S -","- C6 H5 N3 O S -","- C24 H20 N12 O4 S4 -","4","1","","Sheremetev, Aleksei B.; Kozeev, Andrei S.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill Yu.","A mild and efficient synthesis of aminofurazans","New Journal of Chemistry","2023","47","45","21091","21097","10.1039/D3NJ03371F","","","0.71073","MoKα","","0.0776","0.0612","","","0.1198","0.1271","","","","","","1.091","","","","has coordinates","288857","2024-01-06","09:03:53",""
"7062832","12.3025","0.0007","11.302","0.0007","10.0707","0.0006","90","","113.471","0.001","90","","1284.4","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","","Sheremetev, Aleksei B.; Kozeev, Andrei S.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill Yu.","A mild and efficient synthesis of aminofurazans","New Journal of Chemistry","2023","47","45","21091","21097","10.1039/D3NJ03371F","","","0.71073","MoKα","","0.0525","0.044","","","0.1191","0.1271","","","","","","1.078","","","","has coordinates","288857","2024-01-06","09:04:06",""
"7062833","8.2573","0.0003","11.1099","0.0004","11.4634","0.0004","95.39","0.001","107.932","0.001","109.859","0.001","917.59","0.06","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 Cl N3 O S -","- C23 H12 Cl N3 O S -","- C46 H24 Cl2 N6 O2 S2 -","2","1","","Fan, Jie; Yan, Qinqin; Liu, Huaqing; Li, Lijun; Liu, Zhong-Quan; Li, Zejiang","Photo-promoted cascade cyclization of aryl alkynes: access to thiocyanate/trifluoromethylthio-containing quinolino[2,1-b]quinazolinones","New Journal of Chemistry","2023","47","45","20713","20717","10.1039/D3NJ04433E","","","0.71073","MoKα","","0.0626","0.0531","","","0.1343","0.1451","","","","","","1.098","","","","has coordinates","288859","2024-01-06","09:05:01",""
"7062834","7.042","0.003","9.685","0.004","12.244","0.006","85.324","0.009","81.659","0.009","84.984","0.009","821.1","0.6","296","0.2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N6 O3 -","- C17 H12 N6 O3 -","- C34 H24 N12 O6 -","2","1","","Barman, Souvik; Bag, Jayanta; Das, Dhiraj; Pal, Kuntal","Highly selective solvent free catalysis of CO2 and CS2 fixation under mild conditions using electronically varied zinc complexes","New Journal of Chemistry","2023","47","45","20952","20965","10.1039/D3NJ04231F","","","0.71073","MoKα","","0.1564","0.0628","","","0.1325","0.1731","","","","","","1.021","","","","has coordinates","288863","2024-01-06","09:06:26",""
"7062835","8.5795","0.0009","11.9384","0.0012","18.0751","0.0017","91.334","0.003","97.55","0.004","107.982","0.003","1741.6","0.3","144.99","","144.99","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H49 Br N6 O2 Zn -","- C34 H49 Br N6 O2 Zn -","- C68 H98 Br2 N12 O4 Zn2 -","2","1","","Barman, Souvik; Bag, Jayanta; Das, Dhiraj; Pal, Kuntal","Highly selective solvent free catalysis of CO2 and CS2 fixation under mild conditions using electronically varied zinc complexes","New Journal of Chemistry","2023","47","45","20952","20965","10.1039/D3NJ04231F","","","0.71073","MoKα","","0.0532","0.0365","","","0.0871","0.0938","","","","","","1.031","","","","has coordinates","288863","2024-01-06","09:06:37",""
"7062836","11.121","0.002","13.472","0.002","13.589","0.003","90","","95.903","0.006","90","","2025.1","0.7","168.24","","168.24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N7 O4 Zn -","- C20 H17 N7 O4 Zn -","- C80 H68 N28 O16 Zn4 -","4","1","","Barman, Souvik; Bag, Jayanta; Das, Dhiraj; Pal, Kuntal","Highly selective solvent free catalysis of CO2 and CS2 fixation under mild conditions using electronically varied zinc complexes","New Journal of Chemistry","2023","47","45","20952","20965","10.1039/D3NJ04231F","","","0.71073","MoKα","","0.0753","0.0459","","","0.1134","0.1388","","","","","","1.073","","","","has coordinates","288863","2024-01-06","09:06:43",""
"7062837","9.322","0.002","10.874","0.003","11.037","0.003","109.988","0.004","101.284","0.004","101.409","0.004","987.6","0.4","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N6 O2 Zn -","- C20 H18 N6 O2 Zn -","- C40 H36 N12 O4 Zn2 -","2","1","","Barman, Souvik; Bag, Jayanta; Das, Dhiraj; Pal, Kuntal","Highly selective solvent free catalysis of CO2 and CS2 fixation under mild conditions using electronically varied zinc complexes","New Journal of Chemistry","2023","47","45","20952","20965","10.1039/D3NJ04231F","","","0.71073","MoKα","","0.046","0.0327","","","0.0761","0.083","","","","","","1.031","","","","has coordinates","288863","2024-01-06","09:07:00",""
"7062838","11.5719","0.001","11.979","0.0012","14.2548","0.0015","68.685","0.01","66.871","0.009","88.769","0.008","1675.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 N2 Ni O14 -","- C39 H28 N2 Ni O14 -","- C78 H56 N4 Ni2 O28 -","2","1","","Zhang, Xiaoyu; Qin, Tianrui; Liu, Yichen; An, Ning; Afzal, Mohd; Alarifi, Abdullah; Muddassir, Mohd.; Sakiyama, Hiroshi; Mohanty, Aurobinda; Dong, Xiuyan","Structures and magnetic studies of four new Ni(ii) coordination polymers built using symmetrical tetracarboxylate and N-donor linkers","New Journal of Chemistry","2023","47","46","21214","21224","10.1039/D3NJ03643J","","x-ray","1.54184","CuKα","","0.0632","0.0477","","","0.1179","0.1302","","","","","","1.069","","","","has coordinates,has disorder","288841","2024-01-06","08:48:12",""
"7062839","11.247","0.0008","11.3626","0.0008","12.9121","0.0007","86.947","0.005","84.53","0.005","60.884","0.007","1434.98","0.19","294.65","0.1","294.65","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N4 Ni O10 -","- C30 H23 N4 Ni O10 -","- C60 H46 N8 Ni2 O20 -","2","1","","Zhang, Xiaoyu; Qin, Tianrui; Liu, Yichen; An, Ning; Afzal, Mohd; Alarifi, Abdullah; Muddassir, Mohd.; Sakiyama, Hiroshi; Mohanty, Aurobinda; Dong, Xiuyan","Structures and magnetic studies of four new Ni(ii) coordination polymers built using symmetrical tetracarboxylate and N-donor linkers","New Journal of Chemistry","2023","47","46","21214","21224","10.1039/D3NJ03643J","","","1.54184","CuKα","","0.0793","0.0715","","","0.2275","0.2328","","","","","","1.076","","","","has coordinates","288841","2024-01-06","08:48:19",""
"7062840","8.0206","0.0003","9.7574","0.0003","13.0392","0.0004","110.763","0.001","90.633","0.002","112.746","0.002","866.89","0.05","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 Ni2 O14 -","- C28 H22 N4 Ni2 O10 -","- C28 H22 N4 Ni2 O10 -","1","0.5","","Zhang, Xiaoyu; Qin, Tianrui; Liu, Yichen; An, Ning; Afzal, Mohd; Alarifi, Abdullah; Muddassir, Mohd.; Sakiyama, Hiroshi; Mohanty, Aurobinda; Dong, Xiuyan","Structures and magnetic studies of four new Ni(ii) coordination polymers built using symmetrical tetracarboxylate and N-donor linkers","New Journal of Chemistry","2023","47","46","21214","21224","10.1039/D3NJ03643J","","","1.34139","GaKα","","0.0998","0.0895","","","0.236","0.2412","","","","","","1.097","","","","has coordinates,has disorder","288841","2024-01-06","08:48:29",""
"7062841","8.1814","0.0006","10.023","0.0007","14.0209","0.0008","70.905","0.006","73.353","0.006","80.145","0.006","1037.13","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N4 Ni O5 -","- C23 H20 N4 Ni O5 -","- C46 H40 N8 Ni2 O10 -","2","1","","Zhang, Xiaoyu; Qin, Tianrui; Liu, Yichen; An, Ning; Afzal, Mohd; Alarifi, Abdullah; Muddassir, Mohd.; Sakiyama, Hiroshi; Mohanty, Aurobinda; Dong, Xiuyan","Structures and magnetic studies of four new Ni(ii) coordination polymers built using symmetrical tetracarboxylate and N-donor linkers","New Journal of Chemistry","2023","47","46","21214","21224","10.1039/D3NJ03643J","","x-ray","1.54184","CuKα","","0.0563","0.0474","","","0.131","0.1404","","","","","","1.05","","","","has coordinates","288841","2024-01-06","08:48:35",""
"7062842","11.602","0.0007","12.0259","0.0008","14.2958","0.0009","68.618","0.006","66.501","0.006","88.714","0.005","1685.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 Co N2 O14 -","- C39 H28 Co N2 O14 -","- C78 H56 Co2 N4 O28 -","2","1","","Zhang, Xiaoyu; Qin, Tianrui; Xiang, Ruifang; Dong, Xiuyan; Sakiyama, Hiroshi; Muddassir, Mohd.; Pan, Ying","Impact of N-donor auxiliary ligands on three new Co(ii)-based coordination polymers with symmetrical tetracarboxylate ligands: a magnetism study","New Journal of Chemistry","2023","47","44","20426","20434","10.1039/D3NJ03772J","","","1.54184","CuKα","","0.0727","0.058","","","0.147","0.1568","","","","","","1.096","","","","has coordinates","288829","2024-01-06","08:41:09",""
"7062843","8.0125","0.0007","9.6714","0.0008","13.1079","0.0011","109.886","0.002","90.701","0.003","112.409","0.003","871.22","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Co2 N4 O14 -","- C37 H26 Co2 N4 O14 -","- C37 H26 Co2 N4 O14 -","1","0.5","","Zhang, Xiaoyu; Qin, Tianrui; Xiang, Ruifang; Dong, Xiuyan; Sakiyama, Hiroshi; Muddassir, Mohd.; Pan, Ying","Impact of N-donor auxiliary ligands on three new Co(ii)-based coordination polymers with symmetrical tetracarboxylate ligands: a magnetism study","New Journal of Chemistry","2023","47","44","20426","20434","10.1039/D3NJ03772J","","","0.71073","MoKα","","0.0491","0.0411","","","0.1045","0.1111","","","","","","1.02","","","","has coordinates,has disorder","288829","2024-01-06","08:41:15",""
"7062844","4.4234","0.0002","13.3689","0.0005","13.1637","0.0005","90","","90.391","0.003","90","","778.43","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Co O8 -","- C18 H10 Co O8 -","- C36 H20 Co2 O16 -","2","0.5","","Zhang, Xiaoyu; Qin, Tianrui; Xiang, Ruifang; Dong, Xiuyan; Sakiyama, Hiroshi; Muddassir, Mohd.; Pan, Ying","Impact of N-donor auxiliary ligands on three new Co(ii)-based coordination polymers with symmetrical tetracarboxylate ligands: a magnetism study","New Journal of Chemistry","2023","47","44","20426","20434","10.1039/D3NJ03772J","","x-ray","1.54184","CuKα","","0.0489","0.0369","","","0.0957","0.1008","","","","","","1.047","","","","has coordinates","288829","2024-01-06","08:41:18",""
"7062845","11.6604","0.0011","9.5472","0.0009","17.1011","0.0016","90","","108.955","0.001","90","","1800.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-tricarbonyl-chloro-[3-(pyridin-2-yl-κN)tri-imidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine-κN^5^]-rhenium","","- C17 H9 Cl N7 O3 Re -","- C17 H9 Cl N7 O3 Re -","- C68 H36 Cl4 N28 O12 Re4 -","4","1","","Malpicci, Daniele; Maver, Daniele; Maggioni, Daniela; Mercandelli, Pierluigi; Carlucci, Lucia; Cariati, Elena; Mussini, Patrizia; Panigati, Monica","2-Pyridine cyclic triimidazole as a chelating and bridging ligand in mono- and hexa-nuclear Re(i) complexes with emissive properties in solution and in the solid state","New Journal of Chemistry","2023","47","46","21463","21474","10.1039/D3NJ02823B","","","0.71073","MoKα","","0.013","0.0114","","","0.0268","0.0276","","","","","","1.077","","","","has coordinates","288837","2024-01-06","08:45:51",""
"7062846","14.0102","0.0015","35.458","0.004","18.735","0.002","90","","110.31","0.002","90","","8728.4","1.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","octadecacarbonyl-hexachloro-bis[3-(pyridin-2-yl-κN)tri-imidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine-κN^5^]-hexarhenium n-hexane solvate","","- C70 H74 Cl6 N14 O18 Re6 -","- C70 H74 Cl6 N14 O18 Re6 -","- C280 H296 Cl24 N56 O72 Re24 -","4","1","","Malpicci, Daniele; Maver, Daniele; Maggioni, Daniela; Mercandelli, Pierluigi; Carlucci, Lucia; Cariati, Elena; Mussini, Patrizia; Panigati, Monica","2-Pyridine cyclic triimidazole as a chelating and bridging ligand in mono- and hexa-nuclear Re(i) complexes with emissive properties in solution and in the solid state","New Journal of Chemistry","2023","47","46","21463","21474","10.1039/D3NJ02823B","","","0.71073","MoKα","","0.0483","0.0365","","","0.0741","0.0786","","","","","","1.073","","","","has coordinates","288837","2024-01-06","08:45:59",""
"7062847","9.3736","0.0005","13.0106","0.0006","13.5156","0.0007","99.681","0.004","103.799","0.004","107.618","0.004","1473.32","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Cu2 F24 N2 O10 -","- C54 H46 Cu2 F24 N2 O10 -","- C54 H46 Cu2 F24 N2 O10 -","1","0.5","","Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Knyazev, P. A.; Efimov, N. N.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.","Field-assisted slow relaxation of magnetization in Cu(ii) complexes with pentaheterocyclic triphenodioxazine ligands: the quasi-one-dimensional versus the binuclear case","New Journal of Chemistry","2023","47","46","21353","21360","10.1039/D3NJ04614A","","x-ray","1.54184","CuKα","","0.0546","0.0489","","","0.1291","0.1373","","","","","","1.028","","","","has coordinates","288840","2024-01-06","08:47:51",""
"7062848","9.527","0.0002","13.6628","0.0003","15.3279","0.0002","91.565","0.002","97.827","0.002","106.988","0.002","1885.58","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu F12 N2 O6 -","- C36 H28 Cu F12 N2 O6 -","- C72 H56 Cu2 F24 N4 O12 -","2","1","","Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Knyazev, P. A.; Efimov, N. N.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.","Field-assisted slow relaxation of magnetization in Cu(ii) complexes with pentaheterocyclic triphenodioxazine ligands: the quasi-one-dimensional versus the binuclear case","New Journal of Chemistry","2023","47","46","21353","21360","10.1039/D3NJ04614A","","x-ray","1.54184","CuKα","","0.0458","0.0386","","","0.1177","0.1269","","","","","","1.057","","","","has coordinates,has disorder","288840","2024-01-06","08:47:59",""
"7062849","8.1572","0.0003","6.9602","0.0003","12.5929","0.0005","90","","93.328","0.001","90","","713.77","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C18 H14 Mo O2 -","- C18 H14 Mo O2 -","- C36 H28 Mo2 O4 -","2","1","","Štěpán, Jiří; Vinklárek, Jaromír; Císařová, Ivana; Dostál, Libor; Honzíček, Jan","Benz[e]indenyl and benz[f]indenyl molybdenum compounds: evidence of the η3-coordination mode","New Journal of Chemistry","2023","47","46","21396","21403","10.1039/D3NJ04406H","","","0.71073","MoKα","","0.0164","0.016","","","0.0402","0.0404","","","","","","1.107","","","","has coordinates,has disorder","288838","2024-01-06","08:46:15",""
"7062850","11.8814","0.0004","8.1611","0.0003","15.5505","0.0006","90","","110.526","0.0012","90","","1412.13","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mo O2 -","- C18 H14 Mo O2 -","- C72 H56 Mo4 O8 -","4","1","","Štěpán, Jiří; Vinklárek, Jaromír; Císařová, Ivana; Dostál, Libor; Honzíček, Jan","Benz[e]indenyl and benz[f]indenyl molybdenum compounds: evidence of the η3-coordination mode","New Journal of Chemistry","2023","47","46","21396","21403","10.1039/D3NJ04406H","","","0.71073","MoKα","","0.0221","0.0199","","","0.0509","0.0527","","","","","","1.07","","","","has coordinates,has disorder","288838","2024-01-06","08:46:23",""
"7062851","31.3843","0.0013","9.9942","0.0005","17.0209","0.0008","90","","112.335","0.002","90","","4938.3","0.4","150","2","150","2","","","","","","","synthesized by the authors","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 B F4 Mo N6 O2 -","- C25 H19 B F4 Mo N6 O2 -","- C200 H152 B8 F32 Mo8 N48 O16 -","8","1","","Štěpán, Jiří; Vinklárek, Jaromír; Císařová, Ivana; Dostál, Libor; Honzíček, Jan","Benz[e]indenyl and benz[f]indenyl molybdenum compounds: evidence of the η3-coordination mode","New Journal of Chemistry","2023","47","46","21396","21403","10.1039/D3NJ04406H","","","0.71073","MoKα","","0.0385","0.0331","","","0.079","0.0817","","","","","","1.13","","","","has coordinates","288838","2024-01-06","08:46:26",""
"7062852","8.769","0.003","12.709","0.004","13.551","0.005","90","","90","","90","","1510.2","0.9","400","","400","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Br4 Fe N -","- C6 H16 Br4 Fe N -","- C24 H64 Br16 Fe4 N4 -","4","0.5","","Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na","High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap","New Journal of Chemistry","2023","47","44","20619","20625","10.1039/D3NJ03461E","","","0.71073","MoKα","","0.1223","0.0689","","","0.1728","0.2296","","","","","","1.055","","","","has coordinates,has disorder","288830","2024-01-06","08:41:42",""
"7062853","8.6868","0.0004","12.6059","0.0006","13.389","0.0006","90","","90","","90","","1466.16","0.12","219.99","0.1","219.99","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Br4 Fe N -","- C6 H16 Br4 Fe N -","- C24 H64 Br16 Fe4 N4 -","4","0.5","","Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na","High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap","New Journal of Chemistry","2023","47","44","20619","20625","10.1039/D3NJ03461E","","x-ray","0.71073","MoKα","","0.0385","0.0285","","","0.0523","0.0543","","","","","","1.055","","","","has coordinates,has disorder","288830","2024-01-06","08:41:44",""
"7062854","31.248","0.004","16.2834","0.0018","42.122","0.005","90","","90","","90","","21433","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H60 In6 N6 O38 -","- C84 H48 In6 N4 O32 -","- C336 H192 In24 N16 O128 -","4","1","","Zhang, Hao; Chen, Feng-Yu; Liu, Zhi-Yong; Luo, Yu-Hui; Zhou, Zi-Lin; Jia, Xue-Meng; Wang, Xin; Yang, Yun-Qiong","Photocatalytic activation of peroxodisulfate using iron-containing MOFs synthesized by single-crystal-to-single-crystal transformation for ofloxacin degradation","New Journal of Chemistry","2023","47","45","21081","21090","10.1039/D3NJ03470D","","","0.71073","MoKα","","0.0778","0.0558","","","0.1332","0.1458","","","","","","1.01","","","","has coordinates","288860","2024-01-06","09:05:27",""
"7062855","31.104","0.005","16.117","0.002","41.896","0.007","90","","90","","90","","21003","6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H60 Fe4 In2 N6 O38 -","- C84 H48 Fe4.0002 In1.9998 N4 O32 -","- C336 H192 Fe16.0008 In7.9992 N16 O128 -","4","1","","Zhang, Hao; Chen, Feng-Yu; Liu, Zhi-Yong; Luo, Yu-Hui; Zhou, Zi-Lin; Jia, Xue-Meng; Wang, Xin; Yang, Yun-Qiong","Photocatalytic activation of peroxodisulfate using iron-containing MOFs synthesized by single-crystal-to-single-crystal transformation for ofloxacin degradation","New Journal of Chemistry","2023","47","45","21081","21090","10.1039/D3NJ03470D","","","0.71073","MoKα","","0.1668","0.0839","","","0.179","0.2089","","","","","","1.049","","","","has coordinates,has disorder","288860","2024-01-06","09:05:32",""
"7062856","23.115","0.01","23.115","","23.115","","90","","90","","90","","12350","5","222","","222","","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C90 H48 O41 Zn11 -","- C90 H48 O41 Zn11 -","- C360 H192 O164 Zn44 -","4","0.166667","","An, Nan; Ma, Lu-Lu; Yang, Fan; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Porous Zn-MOF with two diverse cages synthesized using functionalized biphenyl tricarboxylic acid: CO2 selective adsorption and fixation","New Journal of Chemistry","2023","47","45","20807","20813","10.1039/D3NJ01937C","","","0.71073","MoKα","","0.1152","0.0616","","","0.1475","0.1768","","","","","","1.016","","","","has coordinates,has disorder","288862","2024-01-06","09:06:04",""
"7062857","25.5231","0.0013","18.844","0.0005","12.4455","0.0003","90","","90","","90","","5985.8","0.4","292.9","0.8","292.9","0.8","","","","","","","","4","P b c n","-P 2n 2ab","60","2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole","2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole","","- C70 H78 N4 S3 -","- C70 H78 N4 S3 -","- C280 H312 N16 S12 -","4","0.5","","Jang, Jae Gyu; Kim, Tae-hoon; Kim, Sung Hyun; Hong, Jong-In","Enhancing thermoelectric performance of single-walled carbon nanotube/reduced graphene oxide composites with small organic molecules as a novel additive","New Journal of Chemistry","2023","47","47","21692","21699","10.1039/D3NJ03568A","","x-ray","1.54184","CuKα","","0.0543","0.043","","","0.1091","0.1203","","","","","","1.036","","","","has coordinates,has disorder","288851","2024-01-06","08:58:10",""
"7062858","9.2348","0.0006","23.802","0.002","10.5882","0.0009","90","","99.101","0.003","90","","2298.1","0.3","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 I N3 O2 S -","- C25 H22 I N3 O2 S -","- C100 H88 I4 N12 O8 S4 -","4","1","","Cheng, Song; Gu, Wen; Zhao, Kun; Zhang, Shu Ting; Yang, Lan; Liu, Qing Song; Li, Xiao Xiao; Zhao, Zhi Gang","NIS-mediated regioselective addition of allenamides with pyrazoles: synthesis of iodo-substituted allylic pyrazoles","New Journal of Chemistry","2023","47","42","19698","19708","10.1039/D3NJ03326K","","","0.71073","MoKα","","0.0879","0.0494","","","0.1049","0.1224","","","","","","1.049","","","","has coordinates","287278","2023-11-05","09:46:04",""
"7062859","9.2175","0.0002","11.1208","0.0002","15.2268","0.0004","85.408","0.002","84.307","0.002","74.931","0.002","1497.34","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","FCDIPY MICHAEL","","- C33 H27 Fe N3 O3 -","- C33 H27 Fe N3 O3 -","- C66 H54 Fe2 N6 O6 -","2","1","","Halder, Biplob; Barik, Tulasi; Chatterjee, Saurav","A new entry towards diastereomeric C1,C2,C3-functionalized [3]ferrocenophanes using a solid state mediated double 1,4-Michael addition type ring closing approach","New Journal of Chemistry","2023","47","47","21994","22006","10.1039/D3NJ04862D","","x-ray","0.71073","MoKα","","0.0489","0.0362","","","0.0886","0.094","","","","","","1.055","","","","has coordinates","288848","2024-01-06","08:56:27",""
"7062860","12.0215","0.0003","25.4733","0.0006","11.4967","0.0003","90","","101.865","0.003","90","","3445.38","0.15","278","","278","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","FCDIPYY3","","- C33 H27 Fe N3 O3 -","- C33 H27 Fe N3 O3 -","- C132 H108 Fe4 N12 O12 -","4","1","","Halder, Biplob; Barik, Tulasi; Chatterjee, Saurav","A new entry towards diastereomeric C1,C2,C3-functionalized [3]ferrocenophanes using a solid state mediated double 1,4-Michael addition type ring closing approach","New Journal of Chemistry","2023","47","47","21994","22006","10.1039/D3NJ04862D","","x-ray","0.71073","MoKα","","0.058","0.0413","","","0.1137","0.1204","","","","","","1.078","","","","has coordinates","288848","2024-01-06","08:56:36",""
"7062861","7.4301","0.0001","7.26","0.0001","12.4619","0.0001","90","","99.037","0.001","90","","663.882","0.014","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-dimethyl-8-(8'-quinolinyl)azaxanthine","","- C15 H12 N6 O2 -","- C15 H12 N6 O2 -","- C30 H24 N12 O4 -","2","1","","Nandi, Nishithendu Bikash; Das, Nishan; Ghanta, Susanta; Puzari, Krishti Rekha; Dutta, Pranab; Kłak, Julia; Sieroń, Lesław; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Atropisomers and a copper(ii) complex derived from 1,3-dimethyl-5-(8′-quinolinylazo)-6-aminouracil: structures, magnetism and biological properties","New Journal of Chemistry","2023","47","47","21633","21647","10.1039/D3NJ04598F","","x-ray","1.54184","CuKα","","0.0223","0.0222","","","0.0583","0.0585","","","","","","1.078","","","","has coordinates","288847","2024-01-06","08:55:49",""
"7062862","7.4288","0.0001","7.2604","0.0001","12.4596","0.0001","90","","99.035","0.001","90","","663.684","0.014","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-dimethyl-8-(8'-quinolinyl)azaxanthine","","- C15 H12 N6 O2 -","- C15 H12 N6 O2 -","- C30 H24 N12 O4 -","2","1","","Nandi, Nishithendu Bikash; Das, Nishan; Ghanta, Susanta; Puzari, Krishti Rekha; Dutta, Pranab; Kłak, Julia; Sieroń, Lesław; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Atropisomers and a copper(ii) complex derived from 1,3-dimethyl-5-(8′-quinolinylazo)-6-aminouracil: structures, magnetism and biological properties","New Journal of Chemistry","2023","47","47","21633","21647","10.1039/D3NJ04598F","","x-ray","1.54184","CuKα","","0.0211","0.0211","","","0.0557","0.0558","","","","","","1.053","","","","has coordinates","288847","2024-01-06","08:55:54",""
"7062863","11.8664","0.0001","7.3491","0.0001","20.4216","0.0002","90","","96.44","0.001","90","","1769.68","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cu N7 O7 -","- C15 H17 Cu N7 O7 -","- C60 H68 Cu4 N28 O28 -","4","1","","Nandi, Nishithendu Bikash; Das, Nishan; Ghanta, Susanta; Puzari, Krishti Rekha; Dutta, Pranab; Kłak, Julia; Sieroń, Lesław; Maniukiewicz, Waldemar; Misra, Tarun Kumar","Atropisomers and a copper(ii) complex derived from 1,3-dimethyl-5-(8′-quinolinylazo)-6-aminouracil: structures, magnetism and biological properties","New Journal of Chemistry","2023","47","47","21633","21647","10.1039/D3NJ04598F","","x-ray","1.54184","CuKα","","0.0312","0.0302","","","0.0884","0.0892","","","","","","1.07","","","","has coordinates","288847","2024-01-06","08:56:06",""
"7062864","10.343","0.0003","22.5061","0.0007","23.8579","0.0007","90","","90","","90","","5553.7","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H52 Cd2 N4 O16 -","- C60 H52 Cd2 N4 O16 -","- C240 H208 Cd8 N16 O64 -","4","1","","Zhang, Jinfang; Lin, Zhuo; Yue, Yinlong; Chen, Qinghan; Yin, Dejing; Zhang, Chi","A photochromic Cd(ii)-organic framework showing highly efficient dual-response sensing properties","New Journal of Chemistry","2023","47","47","21986","21993","10.1039/D3NJ04122K","","","1.54178","Cukα","","0.0452","0.0411","","","0.0942","0.0963","","","","","","1.063","","","","has coordinates","288842","2024-01-06","08:49:17",""
"7062865","9.1405","0.0014","13.016","0.002","13.591","0.003","107.064","0.005","101.287","0.005","99.98","0.006","1469.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[3,5-bis(1-benzylpyridin-1-ium-3-yl)-2,6-dioxo-4-(λ^2^-chloranidyl)-3,5,11 λ^4^-triaza-4-zincatricyclo[5.3.1.0^4^,^11^]undeca-1(11),7,9-trien-4-yl]- λ^2^-chloranide hydrate or [1-benzyl-3-{6-[(1-benzylpyridin-1-ium-3-yl)carbamoyl]pyridine-2-amido}pyridin -1-ium] zinc(ii) dichloride hydrate","","- C62 H52 Cl4 N10 O5 Zn2 -","- C62 H52 Cl4 N10 O5 Zn2 -","- C62 H52 Cl4 N10 O5 Zn2 -","1","0.5","","Masood, Sara; Babar, Usman Munir; Chaudhry, Gul-e-Saba; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Zafar, M. Naveed","Zn(ii) and Cd(ii) pincer complexes bearing meta alkylated pyridinium amidates; synthesis & preliminary anticancer studies","New Journal of Chemistry","2023","47","47","21845","21853","10.1039/D3NJ04131J","","","0.71073","MoKα","","0.1239","0.0608","","","0.1403","0.1689","","","","","","0.963","","","","has coordinates,has disorder","288844","2024-01-06","08:54:02",""
"7062866","13.5644","0.0014","9.4204","0.0009","26.7","0.002","90","","95.262","0.004","90","","3397.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-1-benzylpyridin-1-ium chloride","","- C35 H31 Cd Cl N6 O4 -","- C35 H31 Cd Cl N6 O4 -","- C140 H124 Cd4 Cl4 N24 O16 -","4","1","","Masood, Sara; Babar, Usman Munir; Chaudhry, Gul-e-Saba; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Zafar, M. Naveed","Zn(ii) and Cd(ii) pincer complexes bearing meta alkylated pyridinium amidates; synthesis & preliminary anticancer studies","New Journal of Chemistry","2023","47","47","21845","21853","10.1039/D3NJ04131J","","","0.71073","MoKα","","0.09","0.0549","","","0.1149","0.1277","","","","","","1.036","","","","has coordinates,has disorder","288844","2024-01-06","08:54:23",""
"7062867","6.3256","0.0007","13.072","0.003","16.391","0.003","73.808","0.011","81.882","0.01","80.156","0.009","1276.1","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu N2 O2 -","- C32 H32 Cu N2 O2 -","- C64 H64 Cu2 N4 O4 -","2","1","","Enamullah, Mohammed; Mim, Afsana; Haque, Imdadul; Sidhu, Baldeep K.; Kacperkiewicz, Amelia; Herbert, David E.","Polymorphism, mesomorphism and anti-oxidant character of homoleptic bis[(E)-2-(1-((o-ethylphenyl)imino)ethyl)phenolato-κ2-N,O]Ni/Cu(ii) complexes","New Journal of Chemistry","2023","47","47","21804","21814","10.1039/D3NJ04915A","","","0.71073","MoKα","","0.0365","0.0346","","","0.0859","0.0875","","","","","","1.107","","","","has coordinates","288846","2024-01-06","08:55:18",""
"7062868","12.51","0.004","7.952","0.003","13.693","0.004","90","","106.914","0.017","90","","1303.2","0.8","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N2 O2 -","- C32 H32 Cu N2 O2 -","- C64 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Mim, Afsana; Haque, Imdadul; Sidhu, Baldeep K.; Kacperkiewicz, Amelia; Herbert, David E.","Polymorphism, mesomorphism and anti-oxidant character of homoleptic bis[(E)-2-(1-((o-ethylphenyl)imino)ethyl)phenolato-κ2-N,O]Ni/Cu(ii) complexes","New Journal of Chemistry","2023","47","47","21804","21814","10.1039/D3NJ04915A","","","0.71073","MoKα","","0.0394","0.0367","","","0.0852","0.0873","","","","","","1.16","","","","has coordinates","288846","2024-01-06","08:55:30",""
"7062869","6.3783","0.0007","13.034","0.003","16.245","0.005","73.223","0.012","81.916","0.008","80.072","0.009","1267.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 Ni O2 -","- C32 H32 N2 Ni O2 -","- C64 H64 N4 Ni2 O4 -","2","1","","Enamullah, Mohammed; Mim, Afsana; Haque, Imdadul; Sidhu, Baldeep K.; Kacperkiewicz, Amelia; Herbert, David E.","Polymorphism, mesomorphism and anti-oxidant character of homoleptic bis[(E)-2-(1-((o-ethylphenyl)imino)ethyl)phenolato-κ2-N,O]Ni/Cu(ii) complexes","New Journal of Chemistry","2023","47","47","21804","21814","10.1039/D3NJ04915A","","","0.71073","MoKα","","0.0704","0.0578","","","0.1385","0.1511","","","","","","1.097","","","","has coordinates","288846","2024-01-06","08:55:37",""
"7062870","4.8051","0.0003","11.2889","0.0008","16.6472","0.0011","90","","90","","90","","903.02","0.1","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Badhani, Gaurav; Biramya, Valvi Mangesh; Adimurthy, Subbarayappa","Ionic liquid-catalysed regioselective oxygenation of quinoxalin-2(1H)-ones under visible-light conditions","New Journal of Chemistry","2023","47","47","21596","21599","10.1039/D3NJ04496C","","","0.71073","MoKα","","0.0533","0.0374","","","0.0881","0.1006","","","","","","1.148","","","","has coordinates","288845","2024-01-06","08:54:46",""
"7062871","20.1476","0.0002","7.3815","0.0003","7.3601","0.0003","90","","90","","90","","1094.59","0.06","293","","293","","","","","","","","","5","C m m m","-C 2 2","65","","Iron (4-Ethynylpyrdine) nitroprusside","","- C19 H10 Fe2 N8 O -","- C19 H10 Fe2 N8 O -","- C38 H20 Fe4 N16 O2 -","2","0.125","","Scanda, K.; Avila, Y.; Sánchez, L.; Mojica, R.; González, M.; Moreno, B. D.; Avila, Manuel; Reguera, E.","Thermally-induced spin-crossover (SCO) in Fe(4-ethynylpyrdine)2[Fe(CN)5NO]. Why is the SCO observed in 2D ferrous nitroprussides despite the NO–NC repulsive interaction in the interlayer region?","New Journal of Chemistry","2023","47","47","21834","21844","10.1039/D3NJ04638A","powder diffraction","","0.6868","synchrotron","","","","","","","","","7.2516","1.564","","","","","","","has coordinates","288850","2024-01-06","08:57:32",""
"7062872","19.7722","0.0002","7.1039","0.0003","7.0931","0.0003","90","","90","","90","","996.29","0.06","190","","190","","","","","","","","","5","C m m m","-C 2 2","65","","Iron (4-Ethynylpyrdine) nitroprusside","","- C19 H10 Fe2 N8 O -","- C19 H10 Fe2 N8 O -","- C38 H20 Fe4 N16 O2 -","2","0.125","","Scanda, K.; Avila, Y.; Sánchez, L.; Mojica, R.; González, M.; Moreno, B. D.; Avila, Manuel; Reguera, E.","Thermally-induced spin-crossover (SCO) in Fe(4-ethynylpyrdine)2[Fe(CN)5NO]. Why is the SCO observed in 2D ferrous nitroprussides despite the NO–NC repulsive interaction in the interlayer region?","New Journal of Chemistry","2023","47","47","21834","21844","10.1039/D3NJ04638A","powder diffraction","","0.6868","synchrotron","","","","","","","","","7.2516","1.564","","","","","","","has coordinates","288850","2024-01-06","08:57:39",""
"7062873","18.165","0.004","11.193","0.002","18.183","0.004","90","","108.09","0.03","90","","3514.2","1.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","The ferrocenyl functionalized half-sandwich scandium bis(o-dimethylaminobenzyl","","","- C37 H45 Fe N2 Sc -","- C37 H45 Fe N2 Sc -","- C148 H180 Fe4 N8 Sc4 -","4","1","","Li, Min; Zhong, Yi; Luo, Yunjie; Deng, Meng","Synthesis, characterization and ε-caprolactone polymerization properties of ferrocenyl modified half-sandwich rare-earth metal complexes","New Journal of Chemistry","2023","47","48","22299","22303","10.1039/D3NJ04245F","","","0.71073","MoKα","","0.1752","0.086","","","0.2087","0.2344","","","","","","1.294","","","","has coordinates","288856","2024-01-06","09:02:45",""
"7062874","13.7104","0.0002","35.5713","0.0009","21.6332","0.0005","90","","94.866","0.002","90","","10512.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H94 Cl14 Mn3 N12 -","- C110 H94 Cl14 Mn3 N12 -","- C440 H376 Cl56 Mn12 N48 -","4","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties","New Journal of Chemistry","2023","47","48","22339","22349","10.1039/D3NJ04615J","","x-ray","0.71073","MoKα","","0.159","0.0878","","","0.2016","0.2362","","","","","","1.041","","","","has coordinates,has disorder","288854","2024-01-06","09:01:27",""
"7062875","19.308","0.004","9.972","0.008","18.407","0.004","90","","103.16","0.02","90","","3451","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Mn N8 S4 -","- C34 H32 Mn N8 S4 -","- C136 H128 Mn4 N32 S16 -","4","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties","New Journal of Chemistry","2023","47","48","22339","22349","10.1039/D3NJ04615J","","x-ray","0.71073","MoKα","","0.1319","0.1006","","","0.1997","0.2123","","","","","","1.289","","","","has coordinates,has disorder","288854","2024-01-06","09:01:34",""
"7062876","18.542","0.005","28.21","0.008","24.404","0.005","90","","94.19","0.02","90","","12731","6","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C102 H152 Cl4 K2 Mn3 N16 O12 S12 -","- C102 H152 Cl4 K2 Mn3 N16 O12 S12 -","- C408 H608 Cl16 K8 Mn12 N64 O48 S48 -","4","0.5","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties","New Journal of Chemistry","2023","47","48","22339","22349","10.1039/D3NJ04615J","","x-ray","0.71073","MoKα","","0.2033","0.0797","","","0.0801","0.1084","","","","","","0.959","","","","has coordinates,has disorder","288854","2024-01-06","09:01:39",""
"7062877","13.8553","0.0002","19.0211","0.0003","27.1938","0.0005","78.617","0.001","89.964","0.001","70.368","0.002","6600.6","0.2","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H140 Cl10 I6 K3 Mn3 N12 O18 -","- C107.997 H139.996 Cl10 I6 K3 Mn3 N12 O18 -","- C215.994 H279.992 Cl20 I12 K6 Mn6 N24 O36 -","2","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties","New Journal of Chemistry","2023","47","48","22339","22349","10.1039/D3NJ04615J","","x-ray","0.71073","MoKα","","0.0847","0.0593","","","0.1195","0.134","","","","","","1.022","","","","has coordinates,has disorder","288854","2024-01-06","09:01:52",""
"7062878","16.5169","0.0007","30.5496","0.0012","24.4406","0.001","90","","105.726","0.004","90","","11870.7","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H148 Cl4 K2 Mn3 N10 O24 -","- C108 H148 Cl4 K2 Mn3 N10 O24 -","- C432 H592 Cl16 K8 Mn12 N40 O96 -","4","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties","New Journal of Chemistry","2023","47","48","22339","22349","10.1039/D3NJ04615J","","x-ray","0.71073","MoKα","","0.2361","0.0875","","","0.182","0.2531","","","","","","0.994","","","","has coordinates","288854","2024-01-06","09:02:00",""
"7062879","14.5774","0.0008","7.4338","0.0003","12.8552","0.0007","90","","90","","90","","1393.06","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl3 Co N4 -","- C8 H20 Cl3 Co N4 -","- C32 H80 Cl12 Co4 N16 -","4","1","","Zhang, Yan; Qi, Xiao-Fang; Li, Can-Hao; Zhan, Shu-Zhong","Finding a mononuclear cobalt(iii)-peroxo complex with 1,4,7,10-tetraazacyclododecane, an intermediate for dioxygen reduction","New Journal of Chemistry","2023","47","47","21648","21653","10.1039/D3NJ04108E","","x-ray","0.71073","MoKα","","0.045","0.0399","","","0.0894","0.0931","","","","","","1.061","","","","has coordinates","288852","2024-01-06","08:58:26",""
"7062880","8.7998","0.0003","12.869","0.0005","23.2104","0.0006","90","","90","","90","","2628.45","0.15","99.98","0.11","99.98","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H43 Cl3 Co2 N8 O4 -","- C16 H43 Cl3 Co2 N8 O4 -","- C64 H172 Cl12 Co8 N32 O16 -","4","1","","Zhang, Yan; Qi, Xiao-Fang; Li, Can-Hao; Zhan, Shu-Zhong","Finding a mononuclear cobalt(iii)-peroxo complex with 1,4,7,10-tetraazacyclododecane, an intermediate for dioxygen reduction","New Journal of Chemistry","2023","47","47","21648","21653","10.1039/D3NJ04108E","","x-ray","1.54184","CuKα","","0.0696","0.0618","","","0.1627","0.1705","","","","","","1.106","","","","has coordinates","288852","2024-01-06","08:58:31",""
"7062883","21.3255","0.0017","12.1156","0.001","14.6128","0.0012","90","","119.235","0.003","90","","3294.6","0.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C7 H8 N4 O3 -","- C7 H8 N4 O3 -","- C112 H128 N64 O48 -","16","2","","Lakeev, Alexander P.; Sukhikh, Taisiya S.; Kurzina, Irina A.; Korotchenko, Natalia M.; Nikitin, Dmitriy S.","Salts of barbituric and 2-thiobarbituric acids with imidazole: polymorphism, supramolecular structure, thermal stability and water solubility","New Journal of Chemistry","2023","47","47","21790","21803","10.1039/D3NJ04516A","","","0.71073","MoKα","","0.0759","0.0503","","","0.1067","0.1195","","","","","","1.042","","","","has coordinates","288849","2024-01-06","08:57:06",""
"7062884","8.5356","0.0004","11.9051","0.0006","10.5692","0.0004","90","","112.35","0.001","90","","993.33","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H8 N4 O2 S -","- C7 H8 N4 O2 S -","- C28 H32 N16 O8 S4 -","4","1","","Lakeev, Alexander P.; Sukhikh, Taisiya S.; Kurzina, Irina A.; Korotchenko, Natalia M.; Nikitin, Dmitriy S.","Salts of barbituric and 2-thiobarbituric acids with imidazole: polymorphism, supramolecular structure, thermal stability and water solubility","New Journal of Chemistry","2023","47","47","21790","21803","10.1039/D3NJ04516A","","","0.71073","MoKα","","0.0433","0.0342","","","0.0828","0.089","","","","","","1.05","","","","has coordinates","288849","2024-01-06","08:57:15",""
"7062885","12.0971","0.0003","12.1081","0.0003","13.3996","0.0003","80.933","0.001","73.804","0.001","60.9","0.001","1646.31","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N4 O3 -","- C7 H8 N4 O3 -","- C56 H64 N32 O24 -","8","4","","Lakeev, Alexander P.; Sukhikh, Taisiya S.; Kurzina, Irina A.; Korotchenko, Natalia M.; Nikitin, Dmitriy S.","Salts of barbituric and 2-thiobarbituric acids with imidazole: polymorphism, supramolecular structure, thermal stability and water solubility","New Journal of Chemistry","2023","47","47","21790","21803","10.1039/D3NJ04516A","","","0.71073","MoKα","","0.0539","0.0424","","","0.0988","0.1068","","","","","","1.045","","","","has coordinates","288849","2024-01-06","08:57:18",""
"7062893","8.6346","0.0008","22.406","0.003","12.3194","0.0014","90","","105.684","0.003","90","","2294.7","0.5","294.8","","294.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N2 O4 -","- C31 H19 N2 O4 -","- C124 H76 N8 O16 -","4","1","","Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan","Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence","New Journal of Chemistry","2023","47","48","22418","22429","10.1039/D3NJ04201D","","","0.71073","MoKα","","0.2042","0.1254","","","0.2392","0.2784","","","","","","1.042","","","","has coordinates,has disorder","288853","2024-01-06","08:59:08",""
"7062894","12.516","0.0006","12.9592","0.0007","13.5707","0.0008","90","","90","","90","","2201.1","0.2","294.8","","294.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H17 F N2 O3 -","- C30 H17 F N2 O3 -","- C120 H68 F4 N8 O12 -","4","1","","Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan","Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence","New Journal of Chemistry","2023","47","48","22418","22429","10.1039/D3NJ04201D","","","0.71073","MoKα","","0.0685","0.0435","","","0.0951","0.1091","","","","","","1.04","","","","has coordinates","288853","2024-01-06","08:59:16",""
"7062895","12.781","0.0007","12.868","0.0006","13.2627","0.0007","90","","90","","90","","2181.26","0.19","273.7","","273.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","NI-PXZ-Ph","","- C30 H18 N2 O3 -","- C30 H18 N2 O3 -","- C120 H72 N8 O12 -","4","1","","Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan","Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence","New Journal of Chemistry","2023","47","48","22418","22429","10.1039/D3NJ04201D","","","0.71073","MoKα","","0.0677","0.0427","","","0.0921","0.105","","","","","","1.07","","","","has coordinates","288853","2024-01-06","08:59:20",""
"7062896","8.9285","0.0004","10.1887","0.0004","13.9224","0.0005","102.179","0.003","100.614","0.003","93.915","0.003","1209.24","0.09","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Co2 N10 O5 -","- C12 H13 Co2 N10 O5 -","- C24 H26 Co4 N20 O10 -","2","1","","Khan, Rais Ahmad; AlFawaz, Amal; Alhamed, Afnan Abdullah; AlMuryyi, Nouf Abdulrahman; Hasan, Imran; Paul, Anup; Dey, Sandeep; Alshammari, Saad. G.; Arman, Hadi D.; Alsalme, Ali","3D construction of a cobalt(ii) coordination polymer as a photocatalyst for the degradation of methyl green dye under visible light and its mechanistic pathway","New Journal of Chemistry","2023","47","48","22289","22298","10.1039/D3NJ03938B","","x-ray","1.54184","CuKα","","0.0707","0.0625","","","0.1379","0.1418","","","","","","1.027","","","","has coordinates,has disorder","288855","2024-01-06","09:02:22",""
"7062898","7.126","0.0003","9.6741","0.0004","20.5984","0.0008","90","","93.455","0.003","90","","1417.42","0.1","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Nishana, Lahinakillathu; Sakthivel, Ayyamperumal; Kurup, M. R. Prathapachandra; Damodaran, Krishna K.; Kulandaisamy, Antonysamy; Maheswaran, Sithambaresan","Synthesis, spectral characterization, and catalytic efficiency of aroylhydrazone-based Cu(ii) complexes","New Journal of Chemistry","2023","47","44","20626","20641","10.1039/D3NJ03603K","","","0.71073","MoKα","","0.0813","0.0472","","","0.1186","0.1503","","","","","","1.033","","","","has coordinates","288042","2023-12-05","16:05:07",""
"7062899","7.0655","0.0007","25.257","0.003","9.6732","0.001","90","","99.089","0.004","90","","1704.5","0.3","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N5 O6 -","- C14 H15 Cu N5 O6 -","- C56 H60 Cu4 N20 O24 -","4","1","","Nishana, Lahinakillathu; Sakthivel, Ayyamperumal; Kurup, M. R. Prathapachandra; Damodaran, Krishna K.; Kulandaisamy, Antonysamy; Maheswaran, Sithambaresan","Synthesis, spectral characterization, and catalytic efficiency of aroylhydrazone-based Cu(ii) complexes","New Journal of Chemistry","2023","47","44","20626","20641","10.1039/D3NJ03603K","","","0.71073","MoKα","","0.0394","0.0334","","","0.0868","0.0903","","","","","","1.113","","","","has coordinates","288042","2023-12-05","16:05:08",""
"7062900","20.9563","0.0011","19.5207","0.0011","11.4806","0.0006","90","","101.314","0.002","90","","4605.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H50 Cl2 Co2 N12 O14 Zn -","- C34 H50 Cl2 Co2 N12 O14 Zn -","- C136 H200 Cl8 Co8 N48 O56 Zn4 -","4","0.5","","Yadav, Jitendra Kumar; Mishra, Anjali; Mishra, Gaurav Kumar; Pal, Sarvesh Kumar; Narvekar, Kedar Umakant; Rahaman, Ahibur; Singh, Nanhai; Lama, Prem; Kumar, Kamlesh","Isonicotinate-Zn(ii)/Cd(ii) bridged dicobaloximes: synthesis, characterization and electrocatalytic proton reduction studies","New Journal of Chemistry","2023","47","44","20583","20593","10.1039/D3NJ04014C","","","0.71073","MoKα","","0.0296","0.025","","","0.0593","0.0631","","","","","","1.046","","","","has coordinates","288045","2023-12-05","16:06:14",""
"7062901","9.7747","0.0005","22.7674","0.0012","23.7065","0.0012","90","","96.191","0.002","90","","5245","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 Cd Cl2 Co2 N12 O21 -","- C34 H64 Cd Cl2 Co2 N12 O21 -","- C136 H256 Cd4 Cl8 Co8 N48 O84 -","4","1","","Yadav, Jitendra Kumar; Mishra, Anjali; Mishra, Gaurav Kumar; Pal, Sarvesh Kumar; Narvekar, Kedar Umakant; Rahaman, Ahibur; Singh, Nanhai; Lama, Prem; Kumar, Kamlesh","Isonicotinate-Zn(ii)/Cd(ii) bridged dicobaloximes: synthesis, characterization and electrocatalytic proton reduction studies","New Journal of Chemistry","2023","47","44","20583","20593","10.1039/D3NJ04014C","","","0.71073","MoKα","","0.0537","0.0374","","","0.0729","0.0793","","","","","","1.049","","","","has coordinates,has disorder","288045","2023-12-05","16:06:17",""
"7062902","10.0803","0.0011","19.8625","0.0019","14.0812","0.0014","90","","110.71","0.003","90","","2637.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 N2 O22 S6 -","- C42 H58 N2 O22 S6 -","- C84 H116 N4 O44 S12 -","2","0.5","","Escalona, Ana; Heinemann, Frank W.; Briceño, Alexander; Alvarado, Ysaias J.; Paz, José Luis; Lossada, Carla; González-Paz, Lenin; Toro, Robert; Henao, José Antonio","Hydrogen-bond-assisted topochemical synthesis of a multivalent zwitterionic tetramer via concomitant cross- and homo [2+2] photocycloadditions. Theoretical antiviral activity against SARS-CoV-2","New Journal of Chemistry","2023","47","43","19925","19932","10.1039/D3NJ04041K","","","0.71073","MoKα","","0.0596","0.0402","","","0.0888","0.0981","","","","","","1.045","","","","has coordinates","288046","2023-12-05","16:07:36",""
"7062903","7.4691","0.0002","10.2107","0.0002","11.3913","0.0002","71.336","0.002","78.812","0.002","77.041","0.002","795.04","0.03","293","","293","","","","","","","","see text","4","P -1","-P 1","2","","","","- C15 H15 N O10 -","- C15 H15 N O10 -","- C30 H30 N2 O20 -","2","1","","Escalona, Ana; Heinemann, Frank W.; Briceño, Alexander; Alvarado, Ysaias J.; Paz, José Luis; Lossada, Carla; González-Paz, Lenin; Toro, Robert; Henao, José Antonio","Hydrogen-bond-assisted topochemical synthesis of a multivalent zwitterionic tetramer via concomitant cross- and homo [2+2] photocycloadditions. Theoretical antiviral activity against SARS-CoV-2","New Journal of Chemistry","2023","47","43","19925","19932","10.1039/D3NJ04041K","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.104","0.1055","","","","","","1.064","","","","has coordinates","288046","2023-12-05","16:07:37",""
"7131026","17.5338","0.0013","19.1373","0.0012","20.747","0.002","107.594","0.006","98.679","0.006","109.219","0.004","6018.8","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.38 H44.5 Cl1.5 F15 N7 P2 Ru -","- C58.375 H44.5 Cl1.5 F15 N7 P2 Ru -","- C233.5 H178 Cl6 F60 N28 P8 Ru4 -","4","2","","Hallen, Lukas; Horan, Alexandra M.; Twamley, Brendan; McGarrigle, Eoghan M.; Draper, Sylvia M.","Accessing unsymmetrical Ru(II) bipyridine complexes: a versatile synthetic mechanism for fine tuning photophysical properties.","Chemical communications (Cambridge, England)","2023","59","3","330","333","10.1039/d2cc04910d","","x-ray","1.54178","CuKα","K-L~3~","0.1827","0.1497","","","0.45","0.4995","","","","","","1.092","","","","has coordinates,has disorder","283139","2023-05-05","00:42:40",""
"7131027","18.3727","0.0008","23.3211","0.001","31.2846","0.0012","90","","105.648","0.002","90","","12907.7","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63.95 H48.22 Cl0.65 F15 N7 P2 Ru -","- C63.9511 H48.2244 Cl0.654 F15 N7 P2 Ru -","- C511.609 H385.795 Cl5.232 F120 N56 P16 Ru8 -","8","1","","Hallen, Lukas; Horan, Alexandra M.; Twamley, Brendan; McGarrigle, Eoghan M.; Draper, Sylvia M.","Accessing unsymmetrical Ru(II) bipyridine complexes: a versatile synthetic mechanism for fine tuning photophysical properties.","Chemical communications (Cambridge, England)","2023","59","3","330","333","10.1039/d2cc04910d","","x-ray","1.54178","CuKα","K-L~3~","0.1326","0.0901","","","0.2511","0.2935","","","","","","1.036","","","","has coordinates,has disorder","283139","2023-05-05","00:42:41",""
"7131043","10.6183","0.0012","9.552","0.001","45.308","0.005","90","","91.564","0.003","90","","4593.7","0.9","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 O P -","- C31 H23 O P -","- C248 H184 O8 P8 -","8","2","","Litle, Elishua D.; Gabbaï, François P.","A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity","Chemical Communications","2023","59","5","603","606","10.1039/D2CC05436A","","","0.71073","MoKα","","0.0583","0.0432","","","0.1009","0.1089","","","","","","1.029","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131044","10.8459","0.001","12.2003","0.0012","12.4897","0.0012","96.709","0.002","109.916","0.002","110.821","0.002","1398.1","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","C32H25AuCl3OP","","- C32 H25 Au Cl3 O P -","- C32 H25 Au Cl3 O P -","- C64 H50 Au2 Cl6 O2 P2 -","2","1","","Litle, Elishua D.; Gabbaï, François P.","A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity","Chemical Communications","2023","59","5","603","606","10.1039/D2CC05436A","","","1.54178","CuKα","","0.026","0.0254","","","0.07","0.0712","","","","","","1.058","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131045","9.629","0.002","19.046","0.004","28.172","0.007","90","","90","","90","","5167","2","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","C31H22AuCl2P","","- C31 H22 Au Cl2 P -","- C31 H22 Au Cl2 P -","- C248 H176 Au8 Cl16 P8 -","8","1","","Litle, Elishua D.; Gabbaï, François P.","A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity","Chemical Communications","2023","59","5","603","606","10.1039/D2CC05436A","","","1.54178","CuKα","","0.0598","0.0503","","","0.1215","0.1296","","","","","","1.034","","","","has coordinates,has disorder","282621","2023-04-13","12:20:31",""
"7131046","10.7567","0.0005","15.5643","0.0008","19.0588","0.001","90","","105.244","0.002","90","","3078.6","0.3","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","C35H30AuBClF4PS","","- C35 H30 Au B Cl F4 P S -","- C35 H30 Au B Cl F4 P S -","- C140 H120 Au4 B4 Cl4 F16 P4 S4 -","4","1","","Litle, Elishua D.; Gabbaï, François P.","A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity","Chemical Communications","2023","59","5","603","606","10.1039/D2CC05436A","","x-ray","0.71073","MoKα","","0.0205","0.018","","","0.0387","0.0396","","","","","","1.086","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131047","12.836","0.002","17.581","0.003","17.82","0.003","63.266","0.004","89.509","0.005","87.844","0.004","3588.9","1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C138 H86 Au2 B2 Cl2 F50 P2 -","- C138 H86 Au2 B2 Cl2 F50 P2 -","- C138 H86 Au2 B2 Cl2 F50 P2 -","1","0.5","","Litle, Elishua D.; Gabbaï, François P.","A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity","Chemical Communications","2023","59","5","603","606","10.1039/D2CC05436A","","","0.71073","MoKα","","0.1176","0.0637","","","0.1642","0.1982","","","","","","1.042","","","","has coordinates,has disorder","282621","2023-04-13","12:20:31",""
"7131059","10.9346","0.001","11.6435","0.0011","15.7246","0.0014","94.033","0.005","104.99","0.005","99.074","0.005","1896.7","0.3","250","2","250","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H3 Al3 F30 -","- C36 H3 Al3 F30 -","- C72 H6 Al6 F60 -","2","1","","Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.","Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub>.","Chemical communications (Cambridge, England)","2023","59","3","282","285","10.1039/d2cc06075b","","","1.54178","CuKα","","0.0935","0.0654","","","0.2023","0.2196","","","","","","1.065","","","","has coordinates","283142","2023-05-05","00:43:20",""
"7131060","11.3773","0.0005","11.674","0.0005","11.8396","0.0005","110.793","0.002","104.745","0.002","107.462","0.002","1282.29","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H14 Al Cl F10 O -","- C29 H14 Al Cl F10 O -","- C58 H28 Al2 Cl2 F20 O2 -","2","1","","Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.","Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub>.","Chemical communications (Cambridge, England)","2023","59","3","282","285","10.1039/d2cc06075b","","","1.54178","CuKα","","0.0496","0.0469","","","0.1376","0.1395","","","","","","1.052","","","","has coordinates","283142","2023-05-05","00:43:30",""
"7131061","10.8687","0.0004","11.0798","0.0005","11.7308","0.0005","86.25","0.002","63.214","0.002","61.222","0.002","1084.39","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H8 Al2 Br2 F20 -","- C40 H8 Al2 Br2 F20 -","- C40 H8 Al2 Br2 F20 -","1","0.5","","Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.","Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub>.","Chemical communications (Cambridge, England)","2023","59","3","282","285","10.1039/d2cc06075b","","","1.54178","CuKα","","0.0311","0.0298","","","0.0839","0.0854","","","","","","1.071","","","","has coordinates,has disorder","283142","2023-05-05","00:43:30",""
"7131062","11.6102","0.0005","25.9241","0.001","11.8202","0.0005","90","","113.369","0.002","90","","3265.9","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Al F10 N4 -","- C26 H21 Al F10 N4 -","- C104 H84 Al4 F40 N16 -","4","1","","Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.","Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub>.","Chemical communications (Cambridge, England)","2023","59","3","282","285","10.1039/d2cc06075b","","","0.71073","MoKα","","0.1143","0.0591","","","0.1518","0.177","","","","","","1.003","","","","has coordinates","283142","2023-05-05","00:43:30",""
"7131063","12.0639","0.0004","18.5498","0.0006","24.2232","0.0008","84.238","0.002","76.575","0.002","72.095","0.002","5014.8","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 Al2 F20 O2 -","- C32 H18 Al2 F20 O2 -","- C192 H108 Al12 F120 O12 -","6","3","","Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.","Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub>.","Chemical communications (Cambridge, England)","2023","59","3","282","285","10.1039/d2cc06075b","","","1.54178","CuKα","","0.1074","0.0947","","","0.2713","0.2822","","","","","","1.056","","","","has coordinates","283142","2023-05-05","00:43:30",""
"7131070","11.18","0.004","14.559","0.005","13.993","0.005","90","","93.347","0.009","90","","2273.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Graham178b (Subhash)","","","- C44 H69 F Fe N2 O3 P2 -","- C44 H68 F Fe N2 O3 P2 -","- C88 H136 F2 Fe2 N4 O6 P4 -","2","0.5","","Garhwal, Subhash; Panda, Jatin; Fridman, Natalia; Karton, Amir; de Ruiter, Graham","Formation of distinct iron hydrides <i>via</i> mechanistic divergence in directed C-H Bond activation of aryl ketones, esters and amides.","Chemical communications (Cambridge, England)","2023","59","4","426","429","10.1039/d2cc04394g","","","0.71073","MoKα","","0.0957","0.0518","","","0.1239","0.1456","","","","","","1.03","","","","has coordinates,has disorder","281330","2023-03-04","17:43:36",""
"7131071","12.662","0.003","28.146","0.006","11.75","0.003","90","","110.244","0.006","90","","3928.8","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Graham185b (Subhash)","","","- C39 H57 F Fe N2 O P2 -","- C39 H57 F Fe N2 O P2 -","- C156 H228 F4 Fe4 N8 O4 P8 -","4","1","","Garhwal, Subhash; Panda, Jatin; Fridman, Natalia; Karton, Amir; de Ruiter, Graham","Formation of distinct iron hydrides <i>via</i> mechanistic divergence in directed C-H Bond activation of aryl ketones, esters and amides.","Chemical communications (Cambridge, England)","2023","59","4","426","429","10.1039/d2cc04394g","","","0.71073","MoKα","","0.1386","0.0592","","","0.1211","0.1532","","","","","","0.985","","","","has coordinates","281330","2023-03-04","17:43:45",""
"7131074","24.8853","0.0002","24.8853","0.0002","24.8853","0.0002","90","","90","","90","","15410.9","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C85 H82 Cl2 N8 -","- C85 H82 Cl2 N8 -","- C510 H492 Cl12 N48 -","6","0.5","","Sun, Yu-Ling; Wang, Zhen; Ma, Hui; Zhang, Qing-Pu; Yang, Bin-Bin; Meng, Xianggao; Zhang, Yaohua; Zhang, Chun","Chiral emissive porous organic cages.","Chemical communications (Cambridge, England)","2023","59","3","302","305","10.1039/d2cc05283k","","","1.54184","CuKα","","0.0817","0.0617","","","0.179","0.1997","","","","","","1.011","","","","has coordinates,has disorder","283137","2023-05-05","00:41:29",""
"7131075","24.96801","0.00009","24.96801","0.00009","24.96801","0.00009","90","","90","","90","","15565.1","0.1","100","0.1","100","0.1","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C85 H82 Cl2 N8 -","- C85 H82 Cl2 N8 -","- C510 H492 Cl12 N48 -","6","0.5","","Sun, Yu-Ling; Wang, Zhen; Ma, Hui; Zhang, Qing-Pu; Yang, Bin-Bin; Meng, Xianggao; Zhang, Yaohua; Zhang, Chun","Chiral emissive porous organic cages.","Chemical communications (Cambridge, England)","2023","59","3","302","305","10.1039/d2cc05283k","","","1.54184","CuKα","","0.051","0.0475","","","0.1561","0.1608","","","","","","1.068","","","","has coordinates,has disorder","283137","2023-05-05","00:41:30",""
"7131079","15.1336","0.0005","15.4532","0.0005","18.4151","0.0006","90","","90","","90","","4306.6","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N9 Zn2 -","- C13 H12 N9 Zn2 -","- C104 H96 N72 Zn16 -","8","1","","Bumstead, Alice M.; Castillo-Blas, Celia; Pakamorė, Ignas; Thorne, Michael F.; Sapnik, Adam F.; Chester, Ashleigh M.; Robertson, Georgina; Irving, Daniel J. M.; Chater, Philip A.; Keen, David A.; Forgan, Ross S.; Bennett, Thomas D.","Formation of a meltable purinate metal-organic framework and its glass analogue.","Chemical communications (Cambridge, England)","2023","59","6","732","735","10.1039/d2cc05314d","","","0.71073","MoKα","","0.0514","0.0374","","","0.0894","0.099","","","","","","1.023","","","","has coordinates,has disorder","283039","2023-05-05","00:10:26",""
"7131080","22.365","0.011","8.009","0.004","22.159","0.011","90","","108.93","0.007","90","","3754","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 N4 -","- C21 H15 F3 N4 -","- C168 H120 F24 N32 -","8","2","","Yang, Zuguang; Tang, Jianhua; Li, Chen; Chen, Zhengkai; Wu, Xiao-Feng","Rhodium(III)-catalyzed regioselective C2-alkenylation of indoles with CF<sub>3</sub>-imidoyl sulfoxonium ylides to give multi-functionalized enamines using a migratable directing group.","Chemical communications (Cambridge, England)","2023","59","3","318","321","10.1039/d2cc06127a","","","0.71073","MoKα","","0.1603","0.0616","","","0.1273","0.1663","","","","","","1.062","","","","has coordinates","283141","2023-05-05","00:42:59",""
"7131081","9.1642","0.0008","8.5725","0.0007","19.4137","0.0017","90","","98.682","0.003","90","","1507.7","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","","Jamali, Muhammad Fahad; Yadav, Usha; Babu, Mary Merlin Manjaly; Kant, Ruchir; Mohanan, Kishor","Additive-free synthesis of fused tricyclic cyanoisoxazolidines using <i>in situ</i> formed cyanonitrones.","Chemical communications (Cambridge, England)","2023","59","4","446","449","10.1039/d2cc05831f","","x-ray","0.71073","MoKα","","0.0854","0.0537","","","0.1325","0.1727","","","","","","1.156","","","","has coordinates","281329","2023-03-04","17:43:24",""
"7131082","6.1676","0.0005","11.8368","0.0009","13.6151","0.001","112.511","0.007","96.462","0.006","97.113","0.006","897.19","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O3 S -","- C19 H26 O3 S -","- C38 H52 O6 S2 -","2","1","","Yu, Haiping; Fu, Kaiyue; Yang, Guang; Liu, Mengyu; Yang, Peng; Liu, Tao","Divergent upgrading pathways of sulfones with primary alcohols: nickel-catalyzed α-alkylation under N<sub>2</sub> and metal-free promoted β-olefination in open air.","Chemical communications (Cambridge, England)","2023","59","5","615","618","10.1039/d2cc05882k","","x-ray","1.54184","CuKα","","0.0742","0.0613","","","0.1682","0.1884","","","","","","1.033","","","","has coordinates","281328","2023-03-04","17:43:16",""
"7131083","8.502","0.0004","13.0247","0.001","13.5023","0.0007","92.066","0.005","95.165","0.004","99.518","0.005","1466.64","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","2","","Yu, Haiping; Fu, Kaiyue; Yang, Guang; Liu, Mengyu; Yang, Peng; Liu, Tao","Divergent upgrading pathways of sulfones with primary alcohols: nickel-catalyzed α-alkylation under N<sub>2</sub> and metal-free promoted β-olefination in open air.","Chemical communications (Cambridge, England)","2023","59","5","615","618","10.1039/d2cc05882k","","x-ray","1.54184","CuKα","","0.0961","0.083","","","0.2398","0.2572","","","","","","1.075","","","","has coordinates","281328","2023-03-04","17:43:16",""
"7131084","19.9158","0.0017","12.0713","0.0009","10.9676","0.0007","90","","91.873","0.007","90","","2635.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C96 H144 O16 S8 -","8","2","","Yu, Haiping; Fu, Kaiyue; Yang, Guang; Liu, Mengyu; Yang, Peng; Liu, Tao","Divergent upgrading pathways of sulfones with primary alcohols: nickel-catalyzed α-alkylation under N<sub>2</sub> and metal-free promoted β-olefination in open air.","Chemical communications (Cambridge, England)","2023","59","5","615","618","10.1039/d2cc05882k","","x-ray","1.54184","CuKα","","0.1043","0.0613","","","0.1627","0.1929","","","","","","1.031","","","","has coordinates,has disorder","281328","2023-03-04","17:43:16",""
"7131085","11.0757","0.0003","14.0725","0.0003","19.5245","0.0005","90","","90","","90","","3043.14","0.13","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Compound 3b","Bis(acetonitrile)copper(I) 4,4-difluoro-2,6-diphenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaborepin-4-uide","","- C36 H26 B Cu F2 N2 O2 -","- C36 H26 B Cu F2 N2 O2 -","- C144 H104 B4 Cu4 F8 N8 O8 -","4","1","","Labelle, Anthony; Arndtsen, Bruce A.","Chiral BINOL-based borate counterions: from cautionary tale on anion stability to enantioselective Cu-catalyzed cyclopropanation.","Chemical communications (Cambridge, England)","2023","59","6","728","731","10.1039/d2cc05924j","","","1.54178","CuKα","","0.1001","0.0737","","","0.1814","0.2277","","","","","","1.106","","","","has coordinates","283041","2023-05-05","00:10:57",""
"7131086","11.5652","0.0009","14.6334","0.0011","12.0301","0.0011","90","","112.076","0.002","90","","1886.7","0.3","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H38 F3 N3 O6 S Si -","- C32 H38 F3 N3 O6 S Si -","- C64 H76 F6 N6 O12 S2 Si2 -","2","1","","Li, Jian; Sun, Jina; Zhang, Xianglei; Zhang, Ruxue; Wang, Qian; Wang, Lin; Zhang, Leike; Xie, Xiong; Li, Chunpu; Zhou, Yu; Wang, Jiang; Xiao, Gengfu; Bai, Fang; Liu, Hong","Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms.","Chemical communications (Cambridge, England)","2023","59","7","868","871","10.1039/d2cc06371a","","","0.71073","MoKα","","0.1539","0.0857","","","0.2045","0.2526","","","","","","1.017","","","","has coordinates","283075","2023-05-05","00:21:36",""
"7131087","21.28","0.02","8.194","0.008","22.2","0.02","90","","115.876","0.012","90","","3483","6","88","2","88","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C160 H160 N32 O16 -","8","1","","Toda, Yasunori; Kooguchi, Airi; Sukegawa, Kimiya; Kikuchi, Ayaka; Suga, Hiroyuki","Ring-fused hexahydro-1,2,4,5-tetrazines: synthesis, structure, and mechanistic studies on isolable rotational isomers.","Chemical communications (Cambridge, England)","2023","59","6","700","703","10.1039/d2cc06170h","","","0.71073","MoKα","","0.1258","0.0555","","","0.136","0.1687","","","","","","1.031","","","","has coordinates","283036","2023-05-05","00:09:53",""
"7131088","18.66","0.002","13.2963","0.0015","7.8585","0.0009","90","","90","","90","","1949.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C88 H96 N16 O8 -","4","1","","Toda, Yasunori; Kooguchi, Airi; Sukegawa, Kimiya; Kikuchi, Ayaka; Suga, Hiroyuki","Ring-fused hexahydro-1,2,4,5-tetrazines: synthesis, structure, and mechanistic studies on isolable rotational isomers.","Chemical communications (Cambridge, England)","2023","59","6","700","703","10.1039/d2cc06170h","","","0.71073","MoKα","","0.0561","0.0418","","","0.1046","0.1136","","","","","","1.253","","","","has coordinates","283036","2023-05-05","00:09:53",""
"7131089","12.157","0.0017","12.4397","0.0018","13.855","0.002","65.487","0.002","84.06","0.002","62.571","0.002","1682.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Cl2 N4 O2 -","- C39 H38 Cl2 N4 O2 -","- C78 H76 Cl4 N8 O4 -","2","1","","Toda, Yasunori; Kooguchi, Airi; Sukegawa, Kimiya; Kikuchi, Ayaka; Suga, Hiroyuki","Ring-fused hexahydro-1,2,4,5-tetrazines: synthesis, structure, and mechanistic studies on isolable rotational isomers.","Chemical communications (Cambridge, England)","2023","59","6","700","703","10.1039/d2cc06170h","","","0.71073","MoKα","","0.1298","0.0456","","","0.0945","0.1188","","","","","","0.841","","","","has coordinates,has disorder","283036","2023-05-05","00:09:53",""
"7131090","25.3011","0.0011","13.331","0.0005","22.1748","0.0009","90","","110.356","0.003","90","","7012.2","0.5","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H72 N8 O4 -","- C76 H72 N8 O4 -","- C304 H288 N32 O16 -","4","0.5","","Toda, Yasunori; Kooguchi, Airi; Sukegawa, Kimiya; Kikuchi, Ayaka; Suga, Hiroyuki","Ring-fused hexahydro-1,2,4,5-tetrazines: synthesis, structure, and mechanistic studies on isolable rotational isomers.","Chemical communications (Cambridge, England)","2023","59","6","700","703","10.1039/d2cc06170h","","","0.71073","MoKα","","0.076","0.0445","","","0.1289","0.1509","","","","","","0.933","","","","has coordinates","283036","2023-05-05","00:09:53",""
"7131091","10.1141","0.0004","7.4519","0.0004","18.8419","0.0008","90","","96.346","0.004","90","","1411.4","0.11","120","0.15","120","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","1","","Aimon, Anthony; Dow, Mark J.; Hanby, Abigail R.; Okolo, Ephraim A.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols.","Chemical communications (Cambridge, England)","2023","59","5","607","610","10.1039/d2cc06137f","","x-ray","0.71073","MoKα","","0.0652","0.0521","","","0.1222","0.1309","","","","","","1.068","","","","has coordinates","281327","2023-03-04","17:42:55",""
"7131092","8.51937","0.00012","8.51937","0.00012","22.6198","0.0005","90","","90","","90","","1641.74","0.05","125.01","0.1","125.01","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","","Aimon, Anthony; Dow, Mark J.; Hanby, Abigail R.; Okolo, Ephraim A.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols.","Chemical communications (Cambridge, England)","2023","59","5","607","610","10.1039/d2cc06137f","","x-ray","1.54184","CuKα","","0.044","0.0378","","","0.0852","0.0892","","","","","","1.014","","","","has coordinates","281327","2023-03-04","17:42:56",""
"7131093","11.6465","0.0003","19.7846","0.0005","8.7333","0.00019","90","","103.566","0.002","90","","1956.2","0.08","120","0.18","120","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 F N3 O3 -","- C20 H26 F N3 O3 -","- C80 H104 F4 N12 O12 -","4","1","","Aimon, Anthony; Dow, Mark J.; Hanby, Abigail R.; Okolo, Ephraim A.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols.","Chemical communications (Cambridge, England)","2023","59","5","607","610","10.1039/d2cc06137f","","x-ray","1.54184","CuKα","","0.052","0.0402","","","0.0945","0.1021","","","","","","1.047","","","","has coordinates","281327","2023-03-04","17:42:56",""
"7131094","9.3232","0.0002","15.4039","0.0003","9.493","0.0002","90","","114.951","0.003","90","","1236.08","0.05","125.01","0.1","125.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 N2 O2 -","- C13 H20 N2 O2 -","- C52 H80 N8 O8 -","4","1","","Aimon, Anthony; Dow, Mark J.; Hanby, Abigail R.; Okolo, Ephraim A.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols.","Chemical communications (Cambridge, England)","2023","59","5","607","610","10.1039/d2cc06137f","","x-ray","1.54184","CuKα","","0.042","0.0379","","","0.0934","0.0964","","","","","","1.037","","","","has coordinates","281327","2023-03-04","17:42:56",""
"7131095","21.981","0.0018","8.5032","0.0005","34.011","0.003","90","","91.007","0.007","90","","6356","0.9","125.01","0.1","125.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18.12 N2 O4.06 S -","- C17 H18 N2 O4.0625 S -","- C272 H288 N32 O65 S16 -","16","2","","Aimon, Anthony; Dow, Mark J.; Hanby, Abigail R.; Okolo, Ephraim A.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols.","Chemical communications (Cambridge, England)","2023","59","5","607","610","10.1039/d2cc06137f","","x-ray","1.54184","CuKα","","0.1395","0.0771","","","0.1679","0.2158","","","","","","1.038","","","","has coordinates","281327","2023-03-04","17:42:56",""
"7131098","11.204","0.0006","11.7302","0.0006","12.2936","0.0008","90.116","0.005","108.521","0.006","111.813","0.005","1409.03","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H78 Cl12 Ge N2 Si5 -","- C34 H78 Cl12 Ge N2 Si5 -","- C34 H78 Cl12 Ge N2 Si5 -","1","0.5","","Köstler, Benedikt; Bae, Hyunwoo; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Dope it with germanium: selective access to functionalized Si<sub>5</sub>Ge heterocycles.","Chemical communications (Cambridge, England)","2023","59","6","716","719","10.1039/d2cc06060d","","","0.71073","MoKα","","0.0403","0.0328","","","0.0816","0.086","","","","","","1.066","","","","has coordinates,has disorder","283040","2023-05-05","00:10:42",""
"7131099","17.9958","0.0015","10.1115","0.0007","13.9227","0.0013","90","","108.936","0.01","90","","2396.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Ge0.95 Si5.05 -","- C12 H36 Ge0.95 Si5.05 -","- C48 H144 Ge3.8 Si20.2 -","4","0.5","","Köstler, Benedikt; Bae, Hyunwoo; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Dope it with germanium: selective access to functionalized Si<sub>5</sub>Ge heterocycles.","Chemical communications (Cambridge, England)","2023","59","6","716","719","10.1039/d2cc06060d","","","0.71073","MoKα","","0.0463","0.0334","","","0.0729","0.0783","","","","","","1.035","","","","has coordinates,has disorder","283040","2023-05-05","00:10:45",""
"7131100","17.6683","0.0016","9.7739","0.0006","13.5067","0.0011","90","","109.595","0.01","90","","2197.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C1.84 H5.51 Cl10.16 Ge0.92 Si5.08 -","- C1.834 H5.502 Cl10.166 Ge0.917 Si5.083 -","- C7.336 H22.008 Cl40.664 Ge3.668 Si20.332 -","4","0.5","","Köstler, Benedikt; Bae, Hyunwoo; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Dope it with germanium: selective access to functionalized Si<sub>5</sub>Ge heterocycles.","Chemical communications (Cambridge, England)","2023","59","6","716","719","10.1039/d2cc06060d","","","0.71073","MoKα","","0.0526","0.0353","","","0.0708","0.0768","","","","","","1.028","","","","has coordinates,has disorder","283040","2023-05-05","00:10:45",""
"7131101","11.4439","0.0011","7.5246","0.0007","17.3527","0.0017","90","","96.303","0.004","90","","1485.2","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H41 N O7 -","- C32 H41 N O7 -","- C64 H82 N2 O14 -","2","1","","Zhou, Zhong-Shun; Zhao, Yun-Li; Hu, Bin-Yuan; Wang, Bei; Liu, Ya-Ping; Zhu, Yan-Yan; He, Ying-Jie; Wang, Zhao-Jie; Dai, Zhi; Zhao, Li-Xing; Luo, Xiao-Dong","Steroidal alkaloid with unprecedented triheterocyclic architecture.","Chemical communications (Cambridge, England)","2023","59","3","326","329","10.1039/d2cc06073f","","","1.54178","CuKα","","0.0495","0.034","","","0.0948","0.1045","","","","","","1.027","","","","has coordinates","283140","2023-05-05","00:42:50",""
"7131102","17.1295","0.0004","17.2313","0.0004","42.1825","0.0011","90","","92.099","0.002","90","","12442.4","0.5","298.15","","298.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C480 H704 N64 O96 -","32","8","","Effaty, Farshid; Gonnet, Lori; Koenig, Stefan G.; Nagapudi, Karthik; Ottenwaelder, Xavier; Friščić, Tomislav","Resonant acoustic mixing (RAM) for efficient mechanoredox catalysis without grinding or impact media.","Chemical communications (Cambridge, England)","2023","59","8","1010","1013","10.1039/d2cc06013b","","","1.54178","CuKα","","0.0981","0.0748","","","0.219","0.2434","","","","","","1.067","","","","has coordinates","283024","2023-05-05","00:04:01",""
"7131103","21.533","0.003","17.889","0.003","27.961","0.005","90","","93.891","0.004","90","","10746","3","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N12 -","- C64 H60 N12 -","- C512 H480 N96 -","8","2","","Tan, Bingbin; Ding, Wenjing; Yin, Yu; Xu, Kui; Yin, Ying; Chen, Xi; Huang, Zhengxi; Wu, Lamei; Sessler, Jonathan L.; Zhang, Zhan","Quinoxaline-fused octaphyrin(2.0.0.0.2.0.0.0). A rudimentary chemosensor.","Chemical communications (Cambridge, England)","2023","59","6","708","711","10.1039/d2cc05604f","","","0.71073","MoKα","","0.1722","0.0559","","","0.0884","0.1183","","","","","","0.909","","","","has coordinates,has disorder","283034","2023-05-05","00:09:24",""
"7131104","10.3274","0.0002","10.6035","0.0002","16.1496","0.0003","85.701","0.001","81.211","0.001","68.369","0.001","1624.31","0.05","181","2","180.78","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 B10 N -","- C36 H37 B10 N -","- C72 H74 B20 N2 -","2","1","","Zhang, Huifang; Cheng, Ruofei; Qiu, Zaozao; Xie, Zuowei","Iridium-catalyzed regioselective B(3,6)-dialkenylation or B(4)-alkenylation of <i>o</i>-carboranes <i>via</i> B-H activation and 1,2-carbon migration of alkynes.","Chemical communications (Cambridge, England)","2023","59","6","740","743","10.1039/d2cc05890a","","","1.34139","GaKα","","0.0575","0.0509","","","0.1315","0.1382","","","","","","1.045","","","","has coordinates","283035","2023-05-05","00:09:39",""
"7131105","10.7181","0.0003","18.0152","0.0005","13.7615","0.0004","90","","92.277","0.002","90","","2655.09","0.13","173","2","172.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12.5 H16.5 B5 N0.5 -","- C12.5 H16.5 B5 N0.5 -","- C100 H132 B40 N4 -","8","2","","Zhang, Huifang; Cheng, Ruofei; Qiu, Zaozao; Xie, Zuowei","Iridium-catalyzed regioselective B(3,6)-dialkenylation or B(4)-alkenylation of <i>o</i>-carboranes <i>via</i> B-H activation and 1,2-carbon migration of alkynes.","Chemical communications (Cambridge, England)","2023","59","6","740","743","10.1039/d2cc05890a","","","1.34139","GaKα","","0.0627","0.0517","","","0.1296","0.1384","","","","","","1.042","","","","has coordinates","283035","2023-05-05","00:09:39",""
"7131106","8.1724","0.0006","11.9352","0.001","13.5589","0.001","108.242","0.005","94.126","0.005","99.211","0.005","1229.31","0.17","193","2","193","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 B10 N -","- C23 H29 B10 N -","- C46 H58 B20 N2 -","2","1","","Zhang, Huifang; Cheng, Ruofei; Qiu, Zaozao; Xie, Zuowei","Iridium-catalyzed regioselective B(3,6)-dialkenylation or B(4)-alkenylation of <i>o</i>-carboranes <i>via</i> B-H activation and 1,2-carbon migration of alkynes.","Chemical communications (Cambridge, England)","2023","59","6","740","743","10.1039/d2cc05890a","","","1.34139","GaKα","","0.0804","0.0636","","","0.1661","0.1817","","","","","","1.072","","","","has coordinates","283035","2023-05-05","00:09:39",""
"7131107","9.0699","0.0003","10.0551","0.0004","19.0931","0.0008","88.744","0.003","82.778","0.003","79.924","0.003","1700.81","0.11","120","0.12","120","0.12","","","","","","","","5","P -1","-P 1","2","","catena-[pentakis(mu-4,4'-bipyridine)-tetrakis-iodido-bis-europium(II))]","","- C27 H23 Eu I2 N6 -","- C27 H23 Eu I2 N6 -","- C54 H46 Eu2 I4 N12 -","2","1","","Chen, Hua; Manvell, Anna S.; Kubus, Mariusz; Dunstan, Maja A.; Lorusso, Giulia; Gracia, David; Jørgensen, Mike S B; Kegnæs, Søren; Wilhelm, Fabrice; Rogalev, Andrei; Evangelisti, Marco; Pedersen, Kasper S.","Towards frustration in Eu(II) Archimedean tessellations.","Chemical communications (Cambridge, England)","2023","59","12","1609","1612","10.1039/d2cc06224k","","x-ray","0.71073","MoKα","","0.0558","0.0427","","","0.0878","0.0938","","","","","","1.046","","","","has coordinates","283136","2023-05-05","00:41:10",""
"7131108","8.1924","0.0006","8.9731","0.0008","12.6268","0.0011","93.079","0.007","95.703","0.006","92.678","0.007","921.02","0.13","119.98","0.16","119.98","0.16","","","","","","","","5","P -1","-P 1","2","","catena-[pentakis(pyrazine)-tetrakis-iodido-bis-europium(II))]","","- C10 H10 Eu I2 N5 -","- C10 H10 Eu I2 N5 -","- C20 H20 Eu2 I4 N10 -","2","1","","Chen, Hua; Manvell, Anna S.; Kubus, Mariusz; Dunstan, Maja A.; Lorusso, Giulia; Gracia, David; Jørgensen, Mike S B; Kegnæs, Søren; Wilhelm, Fabrice; Rogalev, Andrei; Evangelisti, Marco; Pedersen, Kasper S.","Towards frustration in Eu(II) Archimedean tessellations.","Chemical communications (Cambridge, England)","2023","59","12","1609","1612","10.1039/d2cc06224k","","x-ray","1.54184","CuKα","","0.0637","0.049","","","0.1253","0.1365","","","","","","1.054","","","","has coordinates","283136","2023-05-05","00:41:11",""
"7131109","26.048","0.003","27.8","0.003","35.912","0.004","82.533","0.005","83.882","0.006","76.42","0.005","24986","5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C298 H396 Ag49 Mo16 N2 O78 S42 -","- C298 H396 Ag49 Mo16 N2 O78 S42 -","- C596 H792 Ag98 Mo32 N4 O156 S84 -","2","1","","Li, Shang-Qian; Dai, Lin-Fang; Tian, Yi-Qi; Yi, Yi-Xiao; Yan, Jun; Liu, Chao","Polymolybdate-guided assembly of a thiacalix[4]arene-protected Ag nanocluster for electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2023","59","5","575","578","10.1039/d2cc05692e","","x-ray","1.34139","GaKα","","0.1812","0.1339","","","0.3417","0.3799","","","","","","0.963","","","","has coordinates,has disorder","281325","2023-03-04","17:41:57",""
"7131110","9.18","0.0001","9.9585","0.0001","14.7974","0.0001","90","","90","","90","","1352.76","0.02","99.9","0.9","99.9","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0292","0.0292","","","0.0732","0.0733","","","","","","1.088","","","","has coordinates","283138","2023-05-05","00:42:20",""
"7131111","9.1857","0.0001","9.9513","0.0001","14.7797","0.0001","90","","90","","90","","1351.01","0.02","100","0.8","100","0.8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.028","0.0279","","","0.071","0.0711","","","","","","1.081","","","","has coordinates","283138","2023-05-05","00:42:20",""
"7131112","26.7869","0.001","15.6539","0.0004","14.6425","0.0006","90","","125.081","0.006","90","","5024.5","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84 H126 Eu2 N4 O26 Ti4 -","- C84 H126 Eu2 N4 O26 Ti4 -","- C168 H252 Eu4 N8 O52 Ti8 -","2","0.5","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0673","0.0576","","","0.1565","0.1644","","","","","","1.074","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131113","26.861","0.003","15.6451","0.0009","14.6838","0.0017","90","","125.433","0.015","90","","5027.9","1.3","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84 H126 Eu2 N4 O26 Ti4 -","- C84 H126 Eu2 N4 O26 Ti4 -","- C168 H252 Eu4 N8 O52 Ti8 -","2","0.5","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0884","0.0687","","","0.1871","0.2042","","","","","","1.094","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131114","13.1002","0.0002","14.6924","0.0002","15.1253","0.0002","67.479","0.002","89.67","0.001","73.051","0.002","2553.86","0.08","100.01","0.13","100.01","0.13","","","","","","","","6","P 1","P 1","1","","","","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","1","1","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0565","0.0494","","","0.1343","0.1405","","","","","","1.106","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131115","13.0912","0.0003","14.717","0.0004","15.1448","0.0004","67.337","0.003","89.583","0.002","73.074","0.002","2557.66","0.13","100","0.13","100","0.13","","","","","","","","6","P 1","P 1","1","","","","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","- C104 H86 Eu2 N4 O26 Ti4 -","1","1","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0655","0.062","","","0.1702","0.1742","","","","","","1.077","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131116","17.4057","0.0002","21.3759","0.0003","22.6058","0.0003","89.675","0.001","75.519","0.001","70.362","0.001","7641.52","0.18","100","0.13","100","0.13","","","","","","","","6","P 1","P 1","1","","","","- C144 H166 Eu2 N4 O26 Ti4 -","- C144 H166 Eu2 N4 O26 Ti4 -","- C288 H332 Eu4 N8 O52 Ti8 -","2","2","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0348","0.032","","","0.0808","0.0819","","","","","","1.073","","","","has coordinates,has disorder","283138","2023-05-05","00:42:20",""
"7131117","16.4653","0.0001","18.5669","0.0001","26.306","0.0002","76.758","0.001","81.871","0.001","78.623","0.001","7635.24","0.09","100","0.13","100","0.13","","","","","","","","6","P 1","P 1","1","","","","- C144 H166 Eu2 N4 O26 Ti4 -","- C144 H166 Eu2 N4 O26 Ti4 -","- C288 H332 Eu4 N8 O52 Ti8 -","2","2","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0528","0.0473","","","0.1205","0.1235","","","","","","1.088","","","","has coordinates","283138","2023-05-05","00:42:20",""
"7131118","12.5156","0.0008","12.546","0.0008","6.349","0.0004","90","","90","","90","","996.92","0.11","273","2","273","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C H6 I3 P Sn -","- C H6 I3 P Sn -","- C4 H24 I12 P4 Sn4 -","4","1","","Zhang, Han-Yue; Xiong, Ren-Gen","Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application.","Chemical communications (Cambridge, England)","2023","59","7","920","923","10.1039/d2cc06408a","","","0.71073","MoKα","","0.109","0.1021","","","0.2525","0.2563","","","","","","1","","","","has coordinates","283077","2023-05-05","00:21:59",""
"7131119","6.3464","0.0002","6.3464","0.0002","6.3464","0.0002","90","","90","","90","","255.613","0.014","313","2","313","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C H6 I3 P Sn -","- C1.5036 I3 P Sn -","- C1.5036 I3 P Sn -","1","0.0416667","","Zhang, Han-Yue; Xiong, Ren-Gen","Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application.","Chemical communications (Cambridge, England)","2023","59","7","920","923","10.1039/d2cc06408a","","","0.71073","MoKα","","0.0428","0.039","","","0.0905","0.093","","","","","","1.001","","","","has coordinates","283077","2023-05-05","00:22:09",""
"7131120","4.7369","0.0004","6.5201","0.0005","8.0744","0.0007","90","","90.914","0.008","90","","249.35","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C H6 I P -","- C H6 I P -","- C2 H12 I2 P2 -","2","0.5","","Zhang, Han-Yue; Xiong, Ren-Gen","Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application.","Chemical communications (Cambridge, England)","2023","59","7","920","923","10.1039/d2cc06408a","","","0.71073","MoKα","","0.0263","0.0238","","","0.0552","0.0559","","","","","","1","","","","has coordinates","283077","2023-05-05","00:22:10",""
"7131121","11.2692","0.0007","13.0648","0.0008","13.0788","0.0008","90.535","0.004","100.124","0.004","113.696","0.004","1728.94","0.19","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H54 Al N3 O2 -","- C35 H54 Al N3 O2 -","- C70 H108 Al2 N6 O4 -","2","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","1.54178","CuKα","","0.0822","0.0581","","","0.1465","0.1635","","","","","","1.006","","","","has coordinates","283033","2023-05-05","00:08:39",""
"7131122","9.4139","0.0002","9.7064","0.0003","10.5352","0.0003","97.826","0.002","104.572","0.002","112.363","0.002","832.2","0.04","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H7 B F10 N O2 -","- C16 H7 B F10 N O2 -","- C32 H14 B2 F20 N2 O4 -","2","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","1.54178","CuKα","","0.0606","0.0474","","","0.1253","0.1337","","","","","","1.059","","","","has coordinates","283033","2023-05-05","00:08:39",""
"7131123","11.6054","0.0006","7.3351","0.0004","15.1136","0.0008","90","","106.701","0.003","90","","1232.3","0.11","200","2","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 B N O2 -","- C12 H21 B N O2 -","- C48 H84 B4 N4 O8 -","4","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","1.54178","CuKα","","0.0823","0.0736","","","0.201","0.2095","","","","","","1.084","","","","has coordinates","283033","2023-05-05","00:08:39",""
"7131124","10.4303","0.0011","15.7714","0.0015","11.0532","0.0009","90","","102.294","0.006","90","","1776.6","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H2 B Cl3 F10 N O2 -","- C15 H2 B Cl3 F10 N O2 -","- C60 H8 B4 Cl12 F40 N4 O8 -","4","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","0.71073","MoKα","","0.0883","0.0506","","","0.1104","0.131","","","","","","1.02","","","","has coordinates,has disorder","283033","2023-05-05","00:08:39",""
"7131125","9.3567","0.0011","9.9389","0.0013","11.972","0.0014","100.785","0.008","110.992","0.007","95.161","0.008","1006","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H7 B F10 N O2.4 -","- C20 H7 B F10 N O2.4 -","- C40 H14 B2 F20 N2 O4.8 -","2","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","0.71073","MoKα","","0.1082","0.0582","","","0.1344","0.1676","","","","","","1.025","","","","has coordinates","283033","2023-05-05","00:08:39",""
"7131126","19.545","0.002","9.5232","0.0009","16.5656","0.0017","90","","117.552","0.012","90","","2733.7","0.6","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H48 B2 N4 O2 -","- C28 H48 B2 N4 O2 -","- C112 H192 B8 N16 O8 -","4","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","0.71073","MoKα","","0.0737","0.0539","","","0.1185","0.1308","","","","","","1.038","","","","has coordinates,has disorder","283033","2023-05-05","00:08:39",""
"7131127","10.9606","0.0004","12.4225","0.0005","12.8685","0.0005","113.438","0.002","90.927","0.002","101.042","0.002","1569.5","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H20 B4 F40 N4 O8 -","- C60 H20 B4 F40 N4 O8 -","- C60 H20 B4 F40 N4 O8 -","1","0.5","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","1.54178","CuKα","","0.0522","0.0382","","","0.0917","0.0998","","","","","","1.035","","","","has coordinates","283033","2023-05-05","00:08:39",""
"7131128","11.026","0.0003","17.8532","0.0005","16.0548","0.0004","90","","94.723","0.001","90","","3149.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 O4 -","- C34 H38 B2 N2 O4 -","- C136 H152 B8 N8 O16 -","4","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","1.54178","CuKα","","0.0435","0.0352","","","0.0884","0.0938","","","","","","1.045","","","","has coordinates","283033","2023-05-05","00:08:39",""
"7131129","15.86558","0.00018","15.86558","0.00018","6.49312","0.00013","90","","90","","90","","1634.43","0.04","160","0.1","160","0.1","","","","","","","","4","P 43","P 4cw","78","","Isosorbide mononitrate","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C48 H72 N8 O48 -","8","2","","Lin, Jiawei; Cao, Yuechao; Liu, Yanbo; Li, Maolin; Chen, Yifu; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Structural origins of two-dimensional elastic bending in a nonaromatic organic molecular crystal.","Chemical communications (Cambridge, England)","2023","59","5","619","622","10.1039/d2cc05169a","","x-ray","1.54184","CuKα","","0.0277","0.0263","","","0.0684","0.069","","","","","","1.068","","","","has coordinates","281326","2023-03-04","17:42:30",""
"7131130","15.898","0.0006","15.898","0.0006","6.4937","0.0004","90","","90","","90","","1641.26","0.13","113.15","","113.15","","","","","","","","","4","P 41","P 4w","76","","Isosorbide mononitrate","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C48 H72 N8 O48 -","8","2","","Lin, Jiawei; Cao, Yuechao; Liu, Yanbo; Li, Maolin; Chen, Yifu; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Structural origins of two-dimensional elastic bending in a nonaromatic organic molecular crystal.","Chemical communications (Cambridge, England)","2023","59","5","619","622","10.1039/d2cc05169a","","x-ray","0.71073","MoKα","","0.071","0.0472","","","0.0952","0.1092","","","","","","1.081","","","","has coordinates","281326","2023-03-04","17:42:30",""
"7131131","7.9393","0.0016","21.1967","0.0012","14.8915","0.0011","90","","92.545","0.005","90","","2503.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N6 O3 W -","- C29 H24 N6 O3 W -","- C116 H96 N24 O12 W4 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Yakushev, I. A.; Gilmutdinov, I. F.; Simonov, S. V.; Yagubskii, E. B.","(Et<sub>4</sub>N)[W<sup>III</sup>(DAPBH)(CN)<sub>2</sub>], the first pentagonal-bipyramidal W(III) complex with unquenched orbital angular momentum: a novel Ising-type magnetic building block for single-molecule magnets.","Chemical communications (Cambridge, England)","2023","59","5","643","646","10.1039/d2cc05998c","","","0.74503","synchrotron","","0.0259","0.023","","","0.0605","0.0621","","","","","","1.019","","","","has coordinates","281323","2023-03-04","17:41:05",""
"7131132","17.5299","0.0012","14.7868","0.001","18.6121","0.0012","90","","93.389","0.002","90","","4816","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl Mn N12 O11 W -","- C40 H54 Cl Mn N12 O11 W -","- C160 H216 Cl4 Mn4 N48 O44 W4 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Yakushev, I. A.; Gilmutdinov, I. F.; Simonov, S. V.; Yagubskii, E. B.","(Et<sub>4</sub>N)[W<sup>III</sup>(DAPBH)(CN)<sub>2</sub>], the first pentagonal-bipyramidal W(III) complex with unquenched orbital angular momentum: a novel Ising-type magnetic building block for single-molecule magnets.","Chemical communications (Cambridge, England)","2023","59","5","643","646","10.1039/d2cc05998c","","","0.71073","MoKα","","0.0579","0.0479","","","0.1299","0.1342","","","","","","1.05","","","","has coordinates","281323","2023-03-04","17:41:05",""
"7131133","22.4973","0.0006","10.7901","0.0003","13.0307","0.0003","90","","90","","90","","3163.18","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H39 N8 O2 W -","- C33 H39 N8 O2 W -","- C132 H156 N32 O8 W4 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Yakushev, I. A.; Gilmutdinov, I. F.; Simonov, S. V.; Yagubskii, E. B.","(Et<sub>4</sub>N)[W<sup>III</sup>(DAPBH)(CN)<sub>2</sub>], the first pentagonal-bipyramidal W(III) complex with unquenched orbital angular momentum: a novel Ising-type magnetic building block for single-molecule magnets.","Chemical communications (Cambridge, England)","2023","59","5","643","646","10.1039/d2cc05998c","","","0.71073","MoKα","","0.0384","0.0293","","","0.0612","0.0639","","","","","","1.061","","","","has coordinates","281323","2023-03-04","17:41:05",""
"7131134","18.321","0.008","19.089","0.009","30.659","0.014","88.15","0.02","87.32","0.03","88.37","0.013","10701","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H128 Al4 F150 Ga4 N8 O16 -","- C174.001 H128 Al4 F150.002 Ga4 N8 O16.0002 -","- C348.002 H256 Al8 F300.004 Ga8 N16 O32.0004 -","2","1","","Barthélemy, Antoine; Scherer, Harald; Weller, Hanna; Krossing, Ingo","How long are Ga⇆Ga double bonds and Ga-Ga single bonds in dicationic gallium dimers?","Chemical communications (Cambridge, England)","2023","59","10","1353","1356","10.1039/d2cc06377h","","x-ray","0.71073","MoKα","","0.0714","0.0501","","","0.131","0.1461","","","","","","1.031","","","","has coordinates,has disorder","283016","2023-05-05","00:00:52",""
"7131135","11.504","0.006","15.151","0.005","17.514","0.007","84.274","0.008","79.771","0.012","84.889","0.014","2981","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H30 Al F36 In O4 P2 -","- C53 H30 Al F36 In O4 P2 -","- C106 H60 Al2 F72 In2 O8 P4 -","2","1","","Barthélemy, Antoine; Scherer, Harald; Weller, Hanna; Krossing, Ingo","How long are Ga⇆Ga double bonds and Ga-Ga single bonds in dicationic gallium dimers?","Chemical communications (Cambridge, England)","2023","59","10","1353","1356","10.1039/d2cc06377h","","x-ray","0.71073","MoKα","","0.0559","0.0442","","","0.1296","0.1388","","","","","","1.022","","","","has coordinates,has disorder","283016","2023-05-05","00:00:52",""
"7131136","15.9476","0.0012","11.0312","0.0008","33.773","0.003","90","","102.211","0.002","90","","5807","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H60 Al2 F72 Ga2 O8 P4 -","- C106 H60 Al2 F72 Ga2 O8 P4 -","- C212 H120 Al4 F144 Ga4 O16 P8 -","2","0.5","","Barthélemy, Antoine; Scherer, Harald; Weller, Hanna; Krossing, Ingo","How long are Ga⇆Ga double bonds and Ga-Ga single bonds in dicationic gallium dimers?","Chemical communications (Cambridge, England)","2023","59","10","1353","1356","10.1039/d2cc06377h","","x-ray","0.71073","MoKα","","0.0292","0.0282","","","0.0746","0.0754","","","","","","1.042","","","","has coordinates,has disorder","283016","2023-05-05","00:00:52",""
"7131137","19.2318","0.0002","8.2286","0.0001","24.0575","0.0002","90","","94.689","0.001","90","","3794.38","0.07","100","0.16","100","0.16","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H23 N O7 S -","- C18 H23 N O7 S -","- C144 H184 N8 O56 S8 -","8","1","","Michalska, Weronika Z.; Halcovitch, Nathan R.; Coote, Susannah C.","Synthesis of functionalized spirocyclic oxetanes through Paternò-Büchi reactions of cyclic ketones and maleic acid derivatives.","Chemical communications (Cambridge, England)","2023","59","6","784","787","10.1039/d2cc06459f","","x-ray","1.54184","CuKα","","0.0361","0.0356","","","0.0958","0.0962","","","","","","1.079","","","","has coordinates","283042","2023-05-05","00:11:06",""
"7131138","10.126","0.0007","29.3015","0.0015","8.1823","0.0005","90","","112.755","0.008","90","","2238.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3ha","","- C28 H17 F3 O3 S2 -","- C28 H17 F3 O3 S2 -","- C112 H68 F12 O12 S8 -","4","1","","Kawahara, Kou P.; Ito, Hideto; Itami, Kenichiro","Rapid access to polycyclic thiopyrylium compounds from unfunctionalized aromatics by thia-APEX reaction.","Chemical communications (Cambridge, England)","2023","59","9","1157","1160","10.1039/d2cc06706d","","x-ray","0.71073","MoKα","","0.0746","0.0503","","","0.122","0.1317","","","","","","1.07","","","","has coordinates","283080","2023-05-05","00:22:45",""
"7131139","12.4701","0.0003","13.9402","0.0003","22.0459","0.0005","86.3365","0.0019","81.0292","0.0018","87.2974","0.0017","3775.06","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3ha-OH","","- C108 H72 O4 S4 -","- C108 H72 O4 S4 -","- C216 H144 O8 S8 -","2","1","","Kawahara, Kou P.; Ito, Hideto; Itami, Kenichiro","Rapid access to polycyclic thiopyrylium compounds from unfunctionalized aromatics by thia-APEX reaction.","Chemical communications (Cambridge, England)","2023","59","9","1157","1160","10.1039/d2cc06706d","","x-ray","0.71073","MoKα","","0.1005","0.0558","","","0.1093","0.1223","","","","","","1.014","","","","has coordinates","283080","2023-05-05","00:22:45",""
"7131140","8.3553","0.0004","23.2081","0.0007","26.2877","0.0009","90","","90","","90","","5097.5","0.3","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C60 H56 N2 O4 -","- C60 H56 N2 O4 -","- C240 H224 N8 O16 -","4","0.5","","Xu, Xiushang; Vonder Haar, Amy L.; Yoshioka, Rengo; Zhang, Qizheng; Vasylevskyi, Serhii; Musser, Andrew J.; Narita, Akimitsu","Solvent-tunable exciton-charge transfer mixed state enhances emission of functionalized benzo[<i>rst</i>]pentaphene through symmetry breaking.","Chemical communications (Cambridge, England)","2023","59","6","720","723","10.1039/d2cc05369a","","x-ray","1.54178","CuKα","","0.0661","0.0508","","","0.1197","0.1274","","","","","","1.04","","","","has coordinates,has disorder","283038","2023-05-05","00:10:16",""
"7131141","9.44092","0.00004","11.74337","0.00005","22.12241","0.0001","90","","100.122","0.0004","90","","2414.5","0.018","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N8 -","- C38 H36 Cl4 Cu2 N8 -","- C76 H72 Cl8 Cu4 N16 -","2","0.5","","Marcon, Michela; Crespi, Stefano; Pielmeier, Andreas; König, Burkhard","A dinuclear copper(II) complex with photoswitchable catechol oxidation activity.","Chemical communications (Cambridge, England)","2023","59","7","948","951","10.1039/d2cc06250j","","x-ray","1.54184","CuKα","","0.0351","0.0347","","","0.103","0.1033","","","","","","1.156","","","","has coordinates","283076","2023-05-05","00:21:47",""
"7131142","12.6616","0.0004","10.2608","0.0003","7.9533","0.0003","90","","98.12","0.003","90","","1022.92","0.06","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-dibromo-N,N-dimethyl-1H-pyrrole-1-sulfonamide","","- C6 H8 Br2 N2 O2 S -","- C6 H8 Br2 N2 O2 S -","- C24 H32 Br8 N8 O8 S4 -","4","1","","Okumi, Tatsuki; Mori, Atsunori; Okano, Kentaro","Regiocontrolled halogen dance of 2,5-dibromopyrroles using equilibrium between dibromopyrrolyllithiums.","Chemical communications (Cambridge, England)","2023","59","8","1046","1049","10.1039/d2cc06373e","","","0.71073","MoKα","","0.0405","0.029","","","0.0546","0.0576","","","","","","1.027","","","","has coordinates","281322","2023-03-04","17:40:51",""
"7131143","9.9868","0.0004","9.9868","0.0004","16.0438","0.0007","90","","90","","120","","1385.77","0.1","100","","100","","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 B2 Co F8 N12 P S -","- C18 H27 B2 Co F8 N12 P S -","- C36 H54 B4 Co2 F16 N24 P2 S2 -","2","0.333333","","Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design.","Chemical communications (Cambridge, England)","2023","59","7","952","955","10.1039/d2cc06012d","","","0.71073","MoKα","","0.0239","0.0229","","","0.0569","0.0577","","","","","","1.005","","","","has coordinates,has disorder","283074","2023-05-05","00:21:12",""
"7131144","10.1198","0.0013","10.1198","0.0013","16.131","0.002","90","","90","","120","","1430.7","0.3","99.9","","99.9","","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 Cl2 Co N12 O8 P S -","- C18 H27 Cl2 Co N12 O8 P S -","- C36 H54 Cl4 Co2 N24 O16 P2 S2 -","2","0.333333","","Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design.","Chemical communications (Cambridge, England)","2023","59","7","952","955","10.1039/d2cc06012d","","","0.71073","MoKα","","0.0381","0.0316","","","0.0806","0.0828","","","","","","1.041","","","","has coordinates,has disorder","283074","2023-05-05","00:21:23",""
"7131145","25.536","0.003","13.4053","0.0014","20.948","0.002","90","","140.504","0.002","90","","4560.8","0.9","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C40 H78 Cl Li3 N2 O58 P W12 -","- C40 H78 Cl Li3 N2 O58 P W12 -","- C80 H156 Cl2 Li6 N4 O116 P2 W24 -","2","0.25","","Yang, Guang; Wu, Yuchao; Lv, Zengxiang; Jiang, Xinyuan; Shi, Jianhang; Zhang, Yuzhen; Chen, Ming; Ni, Lubin; Diao, Guowang; Wei, Yongge","Keggin-type polyoxometalate-based crown ether complex for lithium-sulfur batteries.","Chemical communications (Cambridge, England)","2023","59","6","788","791","10.1039/d2cc05904e","","","0.71073","MoKα","","0.0624","0.042","","","0.1109","0.1212","","","","","","1.055","","","","has coordinates,has disorder","283037","2023-05-05","00:10:03",""
"7131146","7.9081","0.0004","9.4286","0.0004","9.6551","0.0005","76.504","0.004","86.081","0.004","83.312","0.004","694.63","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 B N2 O3 -","- C14 H17 B N2 O3 -","- C28 H34 B2 N4 O6 -","2","1","","English, Laura E.; Horsley Downie, Thomas M.; Lyall, Catherine L.; Mahon, Mary F.; McMullin, Claire L.; Neale, Samuel E.; Saunders, Carla M.; Liptrot, David J.","Selective hydroboration of electron-rich isocyanates by an NHC-copper(I) alkoxide.","Chemical communications (Cambridge, England)","2023","59","8","1074","1077","10.1039/d2cc04742j","","x-ray","1.54184","CuKα","","0.0363","0.0341","","","0.0893","0.0909","","","","","","1.027","","","","has coordinates","281321","2023-03-04","17:40:38",""
"7131147","11.5493","0.0001","16.0557","0.0001","19.4851","0.0002","90","","94.45","0.001","90","","3602.27","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cu N3 O -","- C38 H54 Cu N3 O -","- C152 H216 Cu4 N12 O4 -","4","1","","English, Laura E.; Horsley Downie, Thomas M.; Lyall, Catherine L.; Mahon, Mary F.; McMullin, Claire L.; Neale, Samuel E.; Saunders, Carla M.; Liptrot, David J.","Selective hydroboration of electron-rich isocyanates by an NHC-copper(I) alkoxide.","Chemical communications (Cambridge, England)","2023","59","8","1074","1077","10.1039/d2cc04742j","","x-ray","1.54184","CuKα","","0.0321","0.0301","","","0.0805","0.082","","","","","","1.031","","","","has coordinates,has disorder","281321","2023-03-04","17:40:42",""
"7131148","10.7905","0.0003","6.0625","0.0002","15.4957","0.0004","90","","107.964","0.001","90","","964.27","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 F N O2 -","- C25 H20 F N O2 -","- C50 H40 F2 N2 O4 -","2","1","","Zhou, Ying; Yue, Xin; Jiang, Feng; Sun, Jianwei; Guo, Wengang","Catalytic asymmetric synthesis of α-tertiary aminoketones from sulfoxonium ylides bearing two aryl groups.","Chemical communications (Cambridge, England)","2023","59","9","1193","1196","10.1039/d2cc06147c","","","1.54178","CuKα","","0.0326","0.0321","","","0.0867","0.0873","","","","","","1.045","","","","has coordinates","283083","2023-05-05","00:23:18",""
"7131149","25.8351","0.0009","12.3566","0.0005","8.2933","0.0003","90","","90","","90","","2647.5","0.17","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H28 N2 S2 -","- C36 H28 N2 S2 -","- C144 H112 N8 S8 -","4","1","","Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro","A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.","Chemical communications (Cambridge, England)","2023","59","10","1301","1304","10.1039/d2cc06144a","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.0749","0.0768","","","","","","1.028","","","","has coordinates","281314","2023-03-04","17:38:02",""
"7131150","17.5219","0.0003","7.73607","0.00011","22.8391","0.0004","90","","102.793","0.0017","90","","3019","0.09","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 F6 N3 O4 S2 -","- C32 H24 F6 N3 O4 S2 -","- C128 H96 F24 N12 O16 S8 -","4","0.5","","Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro","A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.","Chemical communications (Cambridge, England)","2023","59","10","1301","1304","10.1039/d2cc06144a","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1134","0.1167","","","","","","1.057","","","","has coordinates,has disorder","281314","2023-03-04","17:38:02",""
"7131151","25.3366","0.0005","25.3366","0.0005","9.101","0.0003","90","","90","","90","","5842.3","0.3","100","","100","","","","","","","","","4","I -4","I -4","82","","","","- C36 H28 N2 S2 -","- C36 H28 N2 S2 -","- C288 H224 N16 S16 -","8","1","","Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro","A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.","Chemical communications (Cambridge, England)","2023","59","10","1301","1304","10.1039/d2cc06144a","","x-ray","0.71073","MoKα","","0.0333","0.0296","","","0.0693","0.0704","","","","","","1.053","","","","has coordinates","281314","2023-03-04","17:38:02",""
"7131152","31.1922","0.0015","9.4751","0.0003","28.2134","0.0013","90","","116.638","0.006","90","","7453.4","0.7","100.06","0.1","100.06","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H30 Cl F6 N3 O4 S4 -","- C38.5 H30 Cl F6 N3 O4 S4 -","- C308 H240 Cl8 F48 N24 O32 S32 -","8","1","","Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro","A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.","Chemical communications (Cambridge, England)","2023","59","10","1301","1304","10.1039/d2cc06144a","","x-ray","1.54184","CuKα","","0.073","0.0452","","","0.1007","0.1111","","","","","","1.015","","","","has coordinates,has disorder","281314","2023-03-04","17:38:02",""
"7131153","7.8871","0.0007","10.9414","0.0009","30.867","0.003","90","","90","","90","","2663.7","0.4","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N4 O5 -","- C32 H28 N4 O5 -","- C128 H112 N16 O20 -","4","1","","Chen, Yi-Hua; Yang, Jing; Lu, Zi-Han; Zhao, Ke-Hua; Xie, Qi-Ying; Yan, Sheng-Jiao","Synthesis of benzo[<i>b</i>][1,5]diazocin-6(5<i>H</i>)-one derivatives <i>via</i> the Cu-catalysed oxidative cyclization of 2-aryl-1<i>H</i>-indoles with 1,1-enediamines.","Chemical communications (Cambridge, England)","2023","59","9","1217","1220","10.1039/d2cc06388c","","","0.71073","MoKα","","0.0703","0.0461","","","0.1034","0.1169","","","","","","1.024","","","","has coordinates","283082","2023-05-05","00:23:09",""
"7131154","9.2788","0.0008","9.8717","0.0007","19.406","0.002","94.465","0.007","99.481","0.008","97.531","0.006","1729.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4,4'-(3,6-Dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)bis(1- hexylpyridin-1-ium)","","- C28 H40 F12 N4 O4 P2 -","- C28 H40 F12 N4 O4 P2 -","- C56 H80 F24 N8 O8 P4 -","2","1","","Humphreys, Joshua; Malagreca, Ferdinando; Hume, Paul A.; Davies, E. Stephen; Argent, Stephen P.; Bradshaw, Tracey D.; Amabilino, David B.","Highly electron deficient diketopyrrolopyrroles.","Chemical communications (Cambridge, England)","2023","59","12","1613","1616","10.1039/d2cc06770f","","x-ray","1.54184","CuKα","","0.1444","0.0867","","","0.2142","0.2587","","","","","","1.019","","","","has coordinates","283135","2023-05-05","00:40:43",""
"7131155","6.56026","0.00005","13.16435","0.00008","21.40535","0.00013","90","","95.7893","0.0006","90","","1839.17","0.02","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 F12 N6 O2 P2 -","- C34 H30 F12 N6 O2 P2 -","- C68 H60 F24 N12 O4 P4 -","2","0.5","","Humphreys, Joshua; Malagreca, Ferdinando; Hume, Paul A.; Davies, E. Stephen; Argent, Stephen P.; Bradshaw, Tracey D.; Amabilino, David B.","Highly electron deficient diketopyrrolopyrroles.","Chemical communications (Cambridge, England)","2023","59","12","1613","1616","10.1039/d2cc06770f","","x-ray","1.54184","CuKα","","0.0448","0.0434","","","0.1149","0.1159","","","","","","1.072","","","","has coordinates","283135","2023-05-05","00:40:43",""
"7131156","34.9289","0.0007","9.64811","0.00019","9.32463","0.00017","90","","96.9621","0.0018","90","","3119.21","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 F12 N4 O2 P2 -","- C28 H36 F12 N4 O2 P2 -","- C112 H144 F48 N16 O8 P8 -","4","0.5","","Humphreys, Joshua; Malagreca, Ferdinando; Hume, Paul A.; Davies, E. Stephen; Argent, Stephen P.; Bradshaw, Tracey D.; Amabilino, David B.","Highly electron deficient diketopyrrolopyrroles.","Chemical communications (Cambridge, England)","2023","59","12","1613","1616","10.1039/d2cc06770f","","","0.6889","Synchrotron","","0.0696","0.0456","","","0.1101","0.1174","","","","","","1.089","","","","has coordinates","283135","2023-05-05","00:40:43",""
"7131157","9.1067","0.0003","12.5882","0.0004","12.6809","0.0004","90","","98.169","0.001","90","","1438.95","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 B F2 N3 -","- C18 H12 B F2 N3 -","- C72 H48 B4 F8 N12 -","4","1","","van Vliet, Sven; Hermens, Johannes G. H.; Fu, Youxin; Pfeifer, Lukas; Feringa, Ben L.","Hydrazone-based boron difluoride complexes as triplet photosensitizers for singlet oxygen generation.","Chemical communications (Cambridge, England)","2023","59","7","884","887","10.1039/d2cc05336e","","","1.54178","CuKα","","0.0356","0.0321","","","0.077","0.0793","","","","","","1.046","","","","has coordinates","283073","2023-05-05","00:20:58",""
"7131158","8.7406","0.0003","10.0825","0.0003","20.1649","0.0006","85.02","","81.294","0.002","81.294","0.002","1732.64","0.09","99.9","0.7","99.9","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu4 I4 N8 -","- C28 H28 Cu4 I4 N8 -","- C56 H56 Cu8 I8 N16 -","2","1","","Miao, Huixian; Zhou, Yujie; Wang, Pingping; Huang, Zetao; Zhaxi, Wenjiang; Liu, Luying; Duan, Fengnan; Wang, Jinmin; Ma, Xiao; Jiang, Shenlong; Huang, Wei; Zhang, Qun; Wu, Dayu","High-temperature negative thermal quenching phosphors from molecular-based materials.","Chemical communications (Cambridge, England)","2023","59","9","1229","1232","10.1039/d2cc05921e","","x-ray","0.71073","MoKα","","0.0697","0.0453","","","0.1077","0.1225","","","","","","1.019","","","","has coordinates","283079","2023-05-05","00:22:33",""
"7131159","8.9276","0.0002","14.0857","0.0004","29.8293","0.0008","90","","90.86","0.002","90","","3750.66","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cu4 I4 N8 -","- C32 H36 Cu4 I4 N8 -","- C128 H144 Cu16 I16 N32 -","4","1","","Miao, Huixian; Zhou, Yujie; Wang, Pingping; Huang, Zetao; Zhaxi, Wenjiang; Liu, Luying; Duan, Fengnan; Wang, Jinmin; Ma, Xiao; Jiang, Shenlong; Huang, Wei; Zhang, Qun; Wu, Dayu","High-temperature negative thermal quenching phosphors from molecular-based materials.","Chemical communications (Cambridge, England)","2023","59","9","1229","1232","10.1039/d2cc05921e","","x-ray","0.71073","MoKα","","0.0843","0.0768","","","0.1809","0.1848","","","","","","1.148","","","","has coordinates,has disorder","283079","2023-05-05","00:22:33",""
"7131160","6.2396","0.0002","9.9099","0.0004","14.5635","0.0006","98.24","0.002","98.468","0.002","91.823","0.002","880.22","0.06","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 F N O2 -","- C19 H24 F N O2 -","- C38 H48 F2 N2 O4 -","2","1","","Su, Jingwen; Guo, Wenbin; Liu, Yi; Kong, Lichun; Zheng, Hanliang; Zhu, Gangguo","Cu-catalyzed cascade difluoroalkylation/5-<i>endo</i> cyclization/β-fluorine cleavage of ynones.","Chemical communications (Cambridge, England)","2023","59","13","1821","1824","10.1039/d2cc06068j","","","1.54178","CuKα","","0.0831","0.0682","","","0.1828","0.2032","","","","","","1.048","","","","has coordinates","283065","2023-05-05","00:19:10",""
"7131161","7.0055","0.0004","12.2304","0.0008","12.5433","0.0008","75.783","0.002","85.525","0.002","77.897","0.002","1018.24","0.11","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 O S -","- C12 H8 N2 O S -","- C48 H32 N8 O4 S4 -","4","2","","Su, Jingwen; Guo, Wenbin; Liu, Yi; Kong, Lichun; Zheng, Hanliang; Zhu, Gangguo","Cu-catalyzed cascade difluoroalkylation/5-<i>endo</i> cyclization/β-fluorine cleavage of ynones.","Chemical communications (Cambridge, England)","2023","59","13","1821","1824","10.1039/d2cc06068j","","","0.71073","MoKα","","0.0513","0.0401","","","0.0955","0.1087","","","","","","1.134","","","","has coordinates","283065","2023-05-05","00:19:10",""
"7131162","16.6398","0.0008","22.4361","0.0009","30.5104","0.0015","90","","97.393","0.002","90","","11295.8","0.9","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H174 Cu4 N32 O35 -","- C96 H174 Cu4 N32 O35 -","- C384 H696 Cu16 N128 O140 -","4","1","","Pineau, Julie; Lima, Luís M. P.; Le Roy, Marie M.; Marionneau-Lambot, Séverine; Cordier, Marie; Le Saëc, Patricia; Zeevaart, Jan Rijn; Driver, Cathryn H. S.; Faivre-Chauvet, Alain; Le Bris, Nathalie; Tripier, Raphaël","Highly inert Cu(ii) complexes of C-aryl bifunctional cyclam-picolinates with remarkable 64Cu-labelling and biodistribution","Chemical Communications","2023","59","7","888","891","10.1039/D2CC06602E","","x-ray","0.71073","MoKα","","0.0613","0.0442","","","0.1106","0.1216","","","","","","1.015","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131163","7.9268","0.001","9.2977","0.0014","30.925","0.005","91.67","0.005","90.466","0.004","97.09","0.004","2260.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 B F2 N3 S -","- C27 H22 B F2 N3 S -","- C108 H88 B4 F8 N12 S4 -","4","2","","Wang, Xin; Wu, Xiaofu; Wang, Tong; Wu, Yuliang; Shu, Haiyang; Cheng, Zhiqiang; Zhao, Lei; Tian, Hongkun; Tong, Hui; Wang, Lixiang","A high-contrast polymorphic difluoroboron luminogen with efficient RTP and TADF emissions.","Chemical communications (Cambridge, England)","2023","59","10","1377","1380","10.1039/d2cc05849a","","","0.71073","MoKα","","0.1382","0.1165","","","0.3172","0.3383","","","","","","1.198","","","","has coordinates","281315","2023-03-04","17:38:16",""
"7131164","13.7071","0.0006","17.6856","0.0007","9.0346","0.0004","90","","98.482","0.001","90","","2166.2","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DMAC-PSBF2-2","Y-Crystal","","- C27 H22 B F2 N3 S -","- C27 H22 B F2 N3 S -","- C108 H88 B4 F8 N12 S4 -","4","1","","Wang, Xin; Wu, Xiaofu; Wang, Tong; Wu, Yuliang; Shu, Haiyang; Cheng, Zhiqiang; Zhao, Lei; Tian, Hongkun; Tong, Hui; Wang, Lixiang","A high-contrast polymorphic difluoroboron luminogen with efficient RTP and TADF emissions.","Chemical communications (Cambridge, England)","2023","59","10","1377","1380","10.1039/d2cc05849a","","","0.71073","MoKα","","0.0706","0.0509","","","0.1644","0.2425","","","","","","1.089","","","","has coordinates","281315","2023-03-04","17:38:16",""
"7131165","7.1491","0.0018","13.136","0.004","48.626","0.014","90","","90","","90","","4566","2","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DMAC-PSBF2-3","R-Crystal","","- C27 H22 B F2 N3 S -","- C27 H22 B F2 N3 S -","- C216 H176 B8 F16 N24 S8 -","8","1","","Wang, Xin; Wu, Xiaofu; Wang, Tong; Wu, Yuliang; Shu, Haiyang; Cheng, Zhiqiang; Zhao, Lei; Tian, Hongkun; Tong, Hui; Wang, Lixiang","A high-contrast polymorphic difluoroboron luminogen with efficient RTP and TADF emissions.","Chemical communications (Cambridge, England)","2023","59","10","1377","1380","10.1039/d2cc05849a","","","0.71073","MoKα","","0.0753","0.0476","","","0.1166","0.1369","","","","","","1.028","","","","has coordinates","281315","2023-03-04","17:38:16",""
"7131166","16.6788","0.0003","10.6255","0.0001","19.9196","0.0003","90","","106.774","0.002","90","","3379.96","0.09","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Be Cl Li N2 Si2 -","- C30 H50 Be Cl Li N2 Si2 -","- C120 H200 Be4 Cl4 Li4 N8 Si8 -","4","1","","Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.","Beryllium-centred C-H activation of benzene.","Chemical communications (Cambridge, England)","2023","59","11","1453","1456","10.1039/d2cc06702a","","x-ray","1.54184","CuKα","","0.0479","0.0435","","","0.1139","0.1188","","","","","","1.029","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131167","25.5602","0.0001","25.5602","0.0001","9.4309","0.0001","90","","90","","90","","6161.43","0.07","150","0.1","150","0.1","","","","","","","","5","I -4","I -4","82","","","","- C30 H50 Be N2 Si2 -","- C30 H50 Be N2 Si2 -","- C240 H400 Be8 N16 Si16 -","8","1","","Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.","Beryllium-centred C-H activation of benzene.","Chemical communications (Cambridge, England)","2023","59","11","1453","1456","10.1039/d2cc06702a","","x-ray","1.54184","CuKα","","0.0224","0.0222","","","0.0598","0.06","","","","","","1.036","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131168","12.7041","0.0002","16.8932","0.0003","33.7442","0.0005","90","","92.349","0.001","90","","7235.9","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H110 Be2 Li2 N4 Si4 -","- C72 H110 Be2 Li2 N4 Si4 -","- C288 H440 Be8 Li8 N16 Si16 -","4","1","","Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.","Beryllium-centred C-H activation of benzene.","Chemical communications (Cambridge, England)","2023","59","11","1453","1456","10.1039/d2cc06702a","","x-ray","1.54184","CuKα","","0.0635","0.0606","","","0.16","0.1632","","","","","","1.059","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131169","18.5743","0.0004","11.9001","0.0003","16.6826","0.0004","90","","90","","90","","3687.46","0.15","150.01","0.1","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H55 Be N2 Na Si2 -","- C36 H55 Be N2 Na Si2 -","- C144 H220 Be4 N8 Na4 Si8 -","4","1","","Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.","Beryllium-centred C-H activation of benzene.","Chemical communications (Cambridge, England)","2023","59","11","1453","1456","10.1039/d2cc06702a","","","1.54184","CuKα","","0.0448","0.0375","","","0.0867","0.0909","","","","","","1.036","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131170","6.4622","0.0004","10.4948","0.0008","14.12","0.001","86.413","0.003","89.241","0.003","73.335","0.003","915.58","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C40 H38 N2 O12 -","2","1","","Sasane, Amit Vijay; Liu, Rai-Shung","Catalyst-free diazo cross-coupling to access useful 3(2<i>H</i>)-furanone derivatives.","Chemical communications (Cambridge, England)","2023","59","8","1086","1089","10.1039/d2cc05912f","","","0.71073","MoKα","","0.0415","0.0358","","","0.086","0.0897","","","","","","1.04","","","","has coordinates","281320","2023-03-04","17:40:10",""
"7131171","13.66639","0.00016","17.3063","0.0002","18.4966","0.0002","90","","90","","90","","4374.72","0.09","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C224 H184 N8 O16 -","8","1","","Sasane, Amit Vijay; Liu, Rai-Shung","Catalyst-free diazo cross-coupling to access useful 3(2<i>H</i>)-furanone derivatives.","Chemical communications (Cambridge, England)","2023","59","8","1086","1089","10.1039/d2cc05912f","","x-ray","1.54184","CuKα","","0.0386","0.033","","","0.0791","0.082","","","","","","1.049","","","","has coordinates","281320","2023-03-04","17:40:10",""
"7131172","11.41961","0.00018","5.65053","0.00012","19.2947","0.0003","90","","101.764","0.0017","90","","1218.88","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Sasane, Amit Vijay; Liu, Rai-Shung","Catalyst-free diazo cross-coupling to access useful 3(2<i>H</i>)-furanone derivatives.","Chemical communications (Cambridge, England)","2023","59","8","1086","1089","10.1039/d2cc05912f","","x-ray","1.54184","CuKα","","0.0345","0.0322","","","0.0796","0.0813","","","","","","1.07","","","","has coordinates","281320","2023-03-04","17:40:10",""
"7131173","5.94355","0.00019","13.5482","0.0004","17.6441","0.0005","75.901","0.003","80.614","0.003","79.208","0.003","1343.28","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O4 -","- C34 H36 O4 -","- C68 H72 O8 -","2","1","","Sasane, Amit Vijay; Liu, Rai-Shung","Catalyst-free diazo cross-coupling to access useful 3(2<i>H</i>)-furanone derivatives.","Chemical communications (Cambridge, England)","2023","59","8","1086","1089","10.1039/d2cc05912f","","x-ray","1.54184","CuKα","","0.0505","0.0407","","","0.1038","0.1088","","","","","","1.043","","","","has coordinates","281320","2023-03-04","17:40:10",""
"7131174","23.4595","0.0007","8.4198","0.0002","19.339","0.0006","90","","94.7","0.003","90","","3807.08","0.19","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Bi2 Br9 N P2 -","- C16 H44 Bi2 Br9 N P2 -","- C64 H176 Bi8 Br36 N4 P8 -","4","1","","Mu, Jie; Xu, Ke; He, Lei; Xu, Yan; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Increasing the ferroelastic phase transition temperature of hybrid perovskites through a mixed phosphonium and ammonium cation strategy.","Chemical communications (Cambridge, England)","2023","59","9","1209","1212","10.1039/d2cc05823e","","","0.71073","MoKα","","0.1769","0.0945","","","0.1966","0.2282","","","","","","1.021","","","","has coordinates","283078","2023-05-05","00:22:21",""
"7131175","23.522","0.002","8.5667","0.0006","19.7659","0.0013","90","","90","","90","","3982.9","0.5","363","2","363","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C16 Bi2 Br9 N P2 -","- C16 Bi2 Br9 N P2 -","- C64 Bi8 Br36 N4 P8 -","4","0.5","","Mu, Jie; Xu, Ke; He, Lei; Xu, Yan; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Increasing the ferroelastic phase transition temperature of hybrid perovskites through a mixed phosphonium and ammonium cation strategy.","Chemical communications (Cambridge, England)","2023","59","9","1209","1212","10.1039/d2cc05823e","","","0.71073","MoKα","","0.2491","0.1098","","","0.216","0.2725","","","","","","1.098","","","","has coordinates","283078","2023-05-05","00:22:21",""
"7131176","14.496","0.002","11.4484","0.0018","25.707","0.005","90","","90","","90","","4266.2","1.2","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triazole_6","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C184 H176 N32 O16 S8 -","8","1","","Chen, Wan-Yu; Lin, Wei-Han; Kuo, Chia-Jou; Liang, Chien-Fu","Base-mediated ketenimine formation from <i>N</i>-sulfonylthioimidates for the synthesis of 5-amino-1-vinyl/aryl-1,2,3-triazoles.","Chemical communications (Cambridge, England)","2023","59","10","1297","1300","10.1039/d2cc06708k","","","0.71076","MoKα","","0.1553","0.098","","","0.2105","0.2433","","","","","","1.007","","","","has coordinates","281313","2023-03-04","17:37:34",""
"7131177","11.4274","0.0006","25.1111","0.0016","14.2863","0.001","90","","91.378","0.002","90","","4098.3","0.4","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N8 O4 S2 -","- C46 H40 N8 O4 S2 -","- C184 H160 N32 O16 S8 -","4","1","","Chen, Wan-Yu; Lin, Wei-Han; Kuo, Chia-Jou; Liang, Chien-Fu","Base-mediated ketenimine formation from <i>N</i>-sulfonylthioimidates for the synthesis of 5-amino-1-vinyl/aryl-1,2,3-triazoles.","Chemical communications (Cambridge, England)","2023","59","10","1297","1300","10.1039/d2cc06708k","","","0.71076","MoKα","","0.1132","0.057","","","0.1394","0.2077","","","","","","1.215","","","","has coordinates","281313","2023-03-04","17:37:35",""
"7131178","8.0617","0.0004","10.9968","0.0005","27.6122","0.0012","90","","90","","90","","2447.9","0.2","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O4 S -","- C27 H25 N3 O4 S -","- C108 H100 N12 O16 S4 -","4","1","","Chen, Ben-Hong; Liu, Shuai-Jiang; Zhao, Qian; Hou, Qiumeng; Yuan, Jia-Li; Zhan, Gu; Yang, Qian-Qian; Huang, Wei","Palladium-catalyzed asymmetric [4+2] annulation of vinyl benzoxazinanones with pyrazolone 4,5-diones to access spirobenzoxazine frameworks.","Chemical communications (Cambridge, England)","2023","59","9","1233","1236","10.1039/d2cc06621a","","","1.54178","CuKα","","0.0468","0.0401","","","0.0926","0.0983","","","","","","1.067","","","","has coordinates,has disorder","283081","2023-05-05","00:22:59",""
"7131179","17.9412","0.0007","10.1371","0.0004","18.4496","0.0008","90","","103.994","0.001","90","","3255.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 N2 Si5 -","- C25 H52 N2 Si5 -","- C100 H208 N8 Si20 -","4","1","","Bisai, Milan Kumar; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","A zwitterionic disilanylium from an unsymmetrical disilene.","Chemical communications (Cambridge, England)","2023","59","12","1669","1672","10.1039/d2cc06954g","","","0.71073","MoKα","","0.0388","0.0349","","","0.0997","0.1028","","","","","","1.041","","","","has coordinates","283133","2023-05-05","00:40:18",""
"7131180","29.526","0.005","8.6554","0.0015","17.895","0.003","90","","94.568","0.004","90","","4558.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H34 N2 S Si2 -","- C19 H34 N2 S Si2 -","- C152 H272 N16 S8 Si16 -","8","1","","Bisai, Milan Kumar; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","A zwitterionic disilanylium from an unsymmetrical disilene.","Chemical communications (Cambridge, England)","2023","59","12","1669","1672","10.1039/d2cc06954g","","","0.71073","MoKα","","0.0952","0.0627","","","0.1755","0.1937","","","","","","1.21","","","","has coordinates","283133","2023-05-05","00:40:18",""
"7131181","6.2615","0.0005","19.9686","0.0014","18.2262","0.0011","90","","98.455","0.002","90","","2254.1","0.3","196","2","196","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 Cl2 N2 Si2 -","- C19 H34 Cl2 N2 Si2 -","- C76 H136 Cl8 N8 Si8 -","4","1","","Bisai, Milan Kumar; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","A zwitterionic disilanylium from an unsymmetrical disilene.","Chemical communications (Cambridge, England)","2023","59","12","1669","1672","10.1039/d2cc06954g","","","0.71073","MoKα","","0.0454","0.0327","","","0.0795","0.0842","","","","","","1.079","","","","has coordinates","283133","2023-05-05","00:40:18",""
"7131182","14.873","0.003","19.141","0.003","12.115","0.002","90","","90","","90","","3448.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H52 N2 Si5 Te -","- C25 H52 N2 Si5 Te -","- C100 H208 N8 Si20 Te4 -","4","1","","Bisai, Milan Kumar; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","A zwitterionic disilanylium from an unsymmetrical disilene.","Chemical communications (Cambridge, England)","2023","59","12","1669","1672","10.1039/d2cc06954g","","","0.71073","MoKα","","0.0659","0.0548","","","0.1367","0.1472","","","","","","1.108","","","","has coordinates","283133","2023-05-05","00:40:18",""
"7131183","17.7405","0.0007","8.7296","0.0003","37.4497","0.0012","90","","94.561","0.003","90","","5781.4","0.4","130.01","0.1","130.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Cu2 N20 O3 S7 -","- C44 H66 Cu2 N20 O3 S7 -","- C176 H264 Cu8 N80 O12 S28 -","4","1","","Morgan, Katherine A.; de Veer, Michael; Miles, Luke A.; Kelderman, Cormac A. A.; McLean, Catriona A.; Masters, Colin L.; Barnham, Kevin J.; White, Jonathan M.; Paterson, Brett M.; Donnelly, Paul S.","Pre-targeting amyloid-β with antibodies for potential molecular imaging of Alzheimer's disease.","Chemical communications (Cambridge, England)","2023","59","16","2243","2246","10.1039/d2cc06850h","","x-ray","1.54184","CuKα","","0.0782","0.0546","","","0.1347","0.1497","","","","","","0.976","","","","has coordinates,has disorder","283049","2023-05-05","00:13:09",""
"7131184","8.0247","0.0002","8.5035","0.0003","18.56","0.0006","78.558","0.003","87.91","0.003","89.697","0.003","1240.5","0.07","100","0.8","100","0.8","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Cl2 Cu N10 O8 S2 -","- C16 H20 Cl2 Cu N10 O8 S2 -","- C32 H40 Cl4 Cu2 N20 O16 S4 -","2","1","","Morgan, Katherine A.; de Veer, Michael; Miles, Luke A.; Kelderman, Cormac A. A.; McLean, Catriona A.; Masters, Colin L.; Barnham, Kevin J.; White, Jonathan M.; Paterson, Brett M.; Donnelly, Paul S.","Pre-targeting amyloid-β with antibodies for potential molecular imaging of Alzheimer's disease.","Chemical communications (Cambridge, England)","2023","59","16","2243","2246","10.1039/d2cc06850h","","x-ray","1.54184","CuKα","","0.0571","0.0445","","","0.1174","0.125","","","","","","1.07","","","","has coordinates,has disorder","283049","2023-05-05","00:13:09",""
"7131185","15.0823","0.001","26.4574","0.0017","14.7964","0.001","90","","108.586","0.003","90","","5596.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H76 Cl Ge N -","- C65 H76 Cl Ge N -","- C260 H304 Cl4 Ge4 N4 -","4","1","","Li, Tong; Zhang, Li; He, Yuhao; Chen, Yizhen; Wang, Dongmin; Liu, Jingjing; Tan, Gengwen","A germanimidoyl chloride: synthesis, characterization and reactivity.","Chemical communications (Cambridge, England)","2023","59","11","1533","1536","10.1039/d2cc05970c","","","1.34139","GaKα","","0.129","0.0746","","","0.1972","0.2277","","","","","","1.022","","","","has coordinates,has disorder","283131","2023-05-05","00:39:25",""
"7131186","10.9718","0.0008","11.2149","0.0009","27.474","0.002","93.954","0.004","91.347","0.004","97.621","0.004","3341","0.4","135","2","135","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H97 Ge N -","- C79 H97 Ge N -","- C158 H194 Ge2 N2 -","2","1","","Li, Tong; Zhang, Li; He, Yuhao; Chen, Yizhen; Wang, Dongmin; Liu, Jingjing; Tan, Gengwen","A germanimidoyl chloride: synthesis, characterization and reactivity.","Chemical communications (Cambridge, England)","2023","59","11","1533","1536","10.1039/d2cc05970c","","","1.34139","GaKα","","0.0774","0.0576","","","0.1529","0.1641","","","","","","1.056","","","","has coordinates,has disorder","283131","2023-05-05","00:39:25",""
"7131187","10.4216","0.001","17.8327","0.0016","21.2462","0.0016","86.176","0.004","82.097","0.004","76.433","0.005","3799.4","0.6","137","2","137","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H91 Cl Ge N4 -","- C76 H91 Cl Ge N4 -","- C152 H182 Cl2 Ge2 N8 -","2","1","","Li, Tong; Zhang, Li; He, Yuhao; Chen, Yizhen; Wang, Dongmin; Liu, Jingjing; Tan, Gengwen","A germanimidoyl chloride: synthesis, characterization and reactivity.","Chemical communications (Cambridge, England)","2023","59","11","1533","1536","10.1039/d2cc05970c","","","1.34139","GaKα","","0.0563","0.0431","","","0.1179","0.125","","","","","","1.067","","","","has coordinates","283131","2023-05-05","00:39:25",""
"7131188","12.7185","0.0007","15.041","0.0009","17.9978","0.001","82.265","0.003","73.454","0.002","80.24","0.002","3239","0.3","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H90 Ge Li N O -","- C71 H90 Ge Li N O -","- C142 H180 Ge2 Li2 N2 O2 -","2","1","","Li, Tong; Zhang, Li; He, Yuhao; Chen, Yizhen; Wang, Dongmin; Liu, Jingjing; Tan, Gengwen","A germanimidoyl chloride: synthesis, characterization and reactivity.","Chemical communications (Cambridge, England)","2023","59","11","1533","1536","10.1039/d2cc05970c","","","1.34139","GaKα","","0.0608","0.0446","","","0.1155","0.1235","","","","","","1.042","","","","has coordinates,has disorder","283131","2023-05-05","00:39:25",""
"7131189","10.8141","0.0005","19.1127","0.001","27.1321","0.0015","93.952","0.002","96.523","0.002","96.935","0.002","5511.3","0.5","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H124 B F24 Ge N4 -","- C117 H124 B F24 Ge N4 -","- C234 H248 B2 F48 Ge2 N8 -","2","1","","Li, Tong; Zhang, Li; He, Yuhao; Chen, Yizhen; Wang, Dongmin; Liu, Jingjing; Tan, Gengwen","A germanimidoyl chloride: synthesis, characterization and reactivity.","Chemical communications (Cambridge, England)","2023","59","11","1533","1536","10.1039/d2cc05970c","","","1.34139","GaKα","","0.0601","0.054","","","0.1466","0.1512","","","","","","1.026","","","","has coordinates,has disorder","283131","2023-05-05","00:39:25",""
"7131190","12.2975","0.0008","19.7728","0.0012","12.9875","0.0008","90","","105.886","0.002","90","","3037.4","0.3","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","1-S","","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C116 H144 Cl8 Cr2 F12 N12 O8 P2 -","2","1","","Cheng, Yang; He, Jiang; Zou, Wenjie; Chang, Xiaoyong; Yang, Qingqing; Lu, Wei","Circularly polarized near-infrared phosphorescence of chiral chromium(III) complexes.","Chemical communications (Cambridge, England)","2023","59","13","1781","1784","10.1039/d2cc06548g","","x-ray","0.71073","MoKα","","0.0782","0.0486","","","0.104","0.1144","","","","","","1.014","","","","has coordinates,has disorder","283066","2023-05-05","00:19:30",""
"7131191","12.2991","0.0005","19.7818","0.0008","12.991","0.0005","90","","105.903","0.001","90","","3039.7","0.2","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C58 H72 Cl4 Cr F6 N6 O4 P -","- C116 H144 Cl8 Cr2 F12 N12 O8 P2 -","2","1","","Cheng, Yang; He, Jiang; Zou, Wenjie; Chang, Xiaoyong; Yang, Qingqing; Lu, Wei","Circularly polarized near-infrared phosphorescence of chiral chromium(III) complexes.","Chemical communications (Cambridge, England)","2023","59","13","1781","1784","10.1039/d2cc06548g","","x-ray","0.71073","MoKα","","0.0541","0.0401","","","0.0891","0.0957","","","","","","1.014","","","","has coordinates,has disorder","283066","2023-05-05","00:19:31",""
"7131192","27.3793","0.0015","19.1458","0.001","21.6094","0.0011","90","","114.666","0.003","90","","10294","1","100","0.2","100","0.2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C53 H62 Cl2 Cr F6 N6 O4 P -","- C53 H62 Cl2 Cr F6.002 N6 O4 P -","- C424 H496 Cl16 Cr8 F48.016 N48 O32 P8 -","8","1","","Cheng, Yang; He, Jiang; Zou, Wenjie; Chang, Xiaoyong; Yang, Qingqing; Lu, Wei","Circularly polarized near-infrared phosphorescence of chiral chromium(III) complexes.","Chemical communications (Cambridge, England)","2023","59","13","1781","1784","10.1039/d2cc06548g","","x-ray","1.54178","CuKα","","0.0581","0.0494","","","0.1258","0.134","","","","","","1.023","","","","has coordinates,has disorder","283066","2023-05-05","00:19:31",""
"7131193","35.2672","0.0002","35.2672","0.0002","35.2672","0.0002","90","","90","","90","","43864.5","0.4","200","0.1","200","0.1","","","","","","","","7","P m -3 m","-P 4 2 3","221","","Zr-TCPCo","","- C80 H68 Cl2 Co2 N8 O52.67 Zr8 -","- C80 H68 Cl2 Co2 N8 O52.6667 Zr8 -","- C480 H408 Cl12 Co12 N48 O316 Zr48 -","6","0.125","","Xiao, Yonghong; Zhu, Can-Ming; Liang, Rong-Bin; Huang, Yong-Liang; Hai, Chun-Hua; Chen, Jian-Rui; Li, Mian; Zhong, Jian-Ji; Huang, Xiao-Chun","Building a cobaloxime-based metal-organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols.","Chemical communications (Cambridge, England)","2023","59","16","2239","2242","10.1039/d2cc06945h","","x-ray","1.54184","CuKα","","0.077","0.0692","","","0.2155","0.225","","","","","","1.085","","","","has coordinates,has disorder","283048","2023-05-05","00:12:56",""
"7131194","10.8049","0.0002","10.8049","0.0002","12.9961","0.0002","90","","90","","120","","1313.97","0.04","298.62","0.1","298.62","0.1","","","","","","","","3","P 32","P 32","145","","","","- C25 H16 O -","- C25 H16 O -","- C75 H48 O3 -","3","1","","Xiao, Yonghong; Zhu, Can-Ming; Liang, Rong-Bin; Huang, Yong-Liang; Hai, Chun-Hua; Chen, Jian-Rui; Li, Mian; Zhong, Jian-Ji; Huang, Xiao-Chun","Building a cobaloxime-based metal-organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols.","Chemical communications (Cambridge, England)","2023","59","16","2239","2242","10.1039/d2cc06945h","","x-ray","1.54184","CuKα","","0.061","0.0601","","","0.1701","0.1717","","","","","","1.078","","","","has coordinates,has disorder","283048","2023-05-05","00:12:56",""
"7131195","9.054","0.0007","11.6026","0.0005","29.7549","0.0017","90","","90","","90","","3125.8","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","1","","Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.","Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.","Chemical communications (Cambridge, England)","2023","59","15","2118","2121","10.1039/d2cc06399a","","","0.71073","MoKα","","0.074","0.0568","","","0.114","0.1215","","","","","","1.02","","","","has coordinates","283102","2023-05-05","00:28:48",""
"7131196","11.7342","0.0007","10.5428","0.0006","16.8353","0.001","90","","90.689","0.002","90","","2082.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 N2 O3 S -","- C21 H17 F3 N2 O3 S -","- C84 H68 F12 N8 O12 S4 -","4","1","","Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.","Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.","Chemical communications (Cambridge, England)","2023","59","15","2118","2121","10.1039/d2cc06399a","","","0.71073","MoKα","","0.1158","0.0963","","","0.172","0.1846","","","","","","1.027","","","","has coordinates","283102","2023-05-05","00:28:48",""
"7131197","10.144","0.0005","17.454","0.0009","9.2908","0.0005","90","","90","","90","","1644.97","0.15","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H13 F3 N2 O3 S -","- C16 H13 F3 N2 O3 S -","- C64 H52 F12 N8 O12 S4 -","4","0.5","","Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.","Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.","Chemical communications (Cambridge, England)","2023","59","15","2118","2121","10.1039/d2cc06399a","","","0.71073","MoKα","","0.0883","0.0747","","","0.1379","0.1477","","","","","","1.098","","","","has coordinates","283102","2023-05-05","00:28:48",""
"7131198","8.574","0.0004","11.7216","0.0006","12.8822","0.0006","101.953","0.002","104.814","0.002","104.574","0.002","1159.27","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Br N2 Ni -","- C26 H27 Br N2 Ni -","- C52 H54 Br2 N4 Ni2 -","2","1","","Avello, Marta G.; Golling, Stéphane; Truong-Phuoc, Lai; Vidal, Loïc; Romero, Thierry; Papaefthimiou, Vasiliki; Gruber, Nathalie; Chetcuti, Michael J.; Leroux, Frédéric R.; Donnard, Morgan; Ritleng, Vincent; Pham-Huu, Cuong; Michon, Christophe","(NHC-olefin)-nickel(0) nanoparticles as catalysts for the (Z)-selective semi-hydrogenation of alkynes and ynamides","Chemical Communications","2023","59","11","1537","1540","10.1039/D2CC05302K","","","0.71073","MoKα","","0.0488","0.0334","","","0.0695","0.0778","","","","","","1.059","","","","has coordinates","282621","2023-04-13","12:20:34",""
"7131199","8.033","0.003","11.591","0.005","12.1","0.005","90","","90","","90","","1126.6","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H2 N8 O10 -","- C4 H2 N8 O10 -","- C16 H8 N32 O40 -","4","1","","Ding, Ning; Sun, Qi; Xu, Xudong; Li, Yaqiong; Zhao, Chaofeng; Li, Shenghua; Pang, Siping","Can a heavy trinitromethyl group always result in a higher density?","Chemical communications (Cambridge, England)","2023","59","14","1939","1942","10.1039/d2cc07077d","","","0.71073","MoKα","","0.0809","0.0439","","","0.0867","0.1017","","","","","","1.071","","","","has coordinates","283070","2023-05-05","00:20:13",""
"7131200","12.3231","0.0006","13.6119","0.0005","13.8716","0.0005","88.973","0.003","76.149","0.003","82.152","0.003","2237.75","0.16","210","0.14","210.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Au Cl6 F9 I N -","- C34 H36 Au Cl6 F9 I N -","- C68 H72 Au2 Cl12 F18 I2 N2 -","2","1","","Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.","Chemical communications (Cambridge, England)","2023","59","14","1975","1978","10.1039/d2cc06415d","","","0.71073","MoKα","","0.0778","0.0494","","","0.09","0.106","","","","","","1.029","","","","has coordinates,has disorder","283072","2023-05-05","00:20:49",""
"7131201","12.68","0.0006","13.0574","0.0008","13.465","0.0009","61.032","0.007","67.105","0.005","78.673","0.005","1796.7","0.2","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Au Br2 Cl4 F6 N -","- C28 H36 Au Br2 Cl4 F6 N -","- C56 H72 Au2 Br4 Cl8 F12 N2 -","2","1","","Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.","Chemical communications (Cambridge, England)","2023","59","14","1975","1978","10.1039/d2cc06415d","","x-ray","0.71073","MoKα","","0.0769","0.0445","","","0.083","0.0997","","","","","","1.027","","","","has coordinates","283072","2023-05-05","00:20:49",""
"7131202","12.8115","0.0007","13.1017","0.0007","13.5212","0.0009","61.966","0.006","67.199","0.006","77.309","0.004","1844.8","0.2","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Au Cl4 F6 I2 N -","- C28 H36 Au Cl4 F6 I2 N -","- C56 H72 Au2 Cl8 F12 I4 N2 -","2","1","","Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.","Chemical communications (Cambridge, England)","2023","59","14","1975","1978","10.1039/d2cc06415d","","x-ray","0.71073","MoKα","","0.0743","0.0389","","","0.0642","0.0811","","","","","","1.024","","","","has coordinates,has disorder","283072","2023-05-05","00:20:49",""
"7131203","9.4636","0.0006","15.8178","0.0009","15.9489","0.0011","94.94","0.005","96.324","0.006","105.988","0.005","2264.1","0.3","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 Au I2 N -","- C16 H36 Au I2 N -","- C64 H144 Au4 I8 N4 -","4","2","","Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.","Chemical communications (Cambridge, England)","2023","59","14","1975","1978","10.1039/d2cc06415d","","x-ray","0.71073","MoKα","","0.1528","0.0572","","","0.086","0.1193","","","","","","0.986","","","","has coordinates","283072","2023-05-05","00:20:49",""
"7131204","12.4459","0.0013","12.56","0.0014","20.921","0.002","93.155","0.004","90.716","0.004","119.397","0.004","2842","0.5","170","2","170","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C45 H109 Ni5 P5 -","- C45 H109 Ni5 P5 -","- C90 H218 Ni10 P10 -","2","1","","Liu, Junyang; Shoshani, Manar M.; Sum, Kethya; Johnson, Samuel A.","Breaking bonds and breaking rules: inert-bond activation by [(<sup>i</sup>Pr<sub>3</sub>P)Ni]<sub>5</sub>H<sub>4</sub> and catalytic stereospecific norbornene dimerization.","Chemical communications (Cambridge, England)","2023","59","24","3542","3545","10.1039/d2cc06681e","","x-ray","0.71073","MoKα","","0.0868","0.0688","","","0.1398","0.1471","","","","","","1.208","","","","has coordinates,has disorder","282251","2023-04-04","09:34:57",""
"7131205","22.9956","0.0014","10.041","0.0006","20.4012","0.0012","90","","119.072","0.002","90","","4117.1","0.4","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H58 Au F6 N2 Sb -","- C41 H58 Au F6 N2 Sb -","- C164 H232 Au4 F24 N8 Sb4 -","4","1","","Liu, Junyang; Shoshani, Manar M.; Sum, Kethya; Johnson, Samuel A.","Breaking bonds and breaking rules: inert-bond activation by [(<sup>i</sup>Pr<sub>3</sub>P)Ni]<sub>5</sub>H<sub>4</sub> and catalytic stereospecific norbornene dimerization.","Chemical communications (Cambridge, England)","2023","59","24","3542","3545","10.1039/d2cc06681e","","x-ray","0.71073","MoKα","","0.0392","0.0319","","","0.0687","0.0724","","","","","","1.028","","","","has coordinates,has disorder","282251","2023-04-04","09:34:58",""
"7131206","11.7831","0.0012","16.8231","0.0017","14.2431","0.0014","90","","94.16","0.002","90","","2815.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C48 H21.65 N O0.32 -","- C47.75 H21.645 N O0.3225 -","- C191 H86.58 N4 O1.29 -","4","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","C2-insertion into a fullerene orifice.","Chemical communications (Cambridge, England)","2023","59","12","1645","1648","10.1039/d2cc06531b","","","0.71073","MoKα","","0.0532","0.0426","","","0.1135","0.1223","","","","","","1.07","","","","has coordinates,has disorder","283132","2023-05-05","00:39:44",""
"7131207","23.689","0.003","19.477","0.003","11.8763","0.0015","90","","98.836","0.002","90","","5414.6","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N3 O2 -","- C32 H31 N3 O2 -","- C256 H248 N24 O16 -","8","2","","Hashikawa, Yoshifumi; Murata, Yasujiro","C2-insertion into a fullerene orifice.","Chemical communications (Cambridge, England)","2023","59","12","1645","1648","10.1039/d2cc06531b","","","0.71073","MoKα","","0.0792","0.0503","","","0.1396","0.1592","","","","","","1.021","","","","has coordinates","283132","2023-05-05","00:39:44",""
"7131208","11.8995","0.0009","11.8995","0.0009","29.636","0.004","90","","90","","120","","3634.2","0.6","210","","210","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H15 F N2 O20 Si10 -","- C8 H15 F N2 O20 Si10 -","- C48 H90 F6 N12 O120 Si60 -","6","0.5","","Jiao, Feng; Zhang, Jun; Cai, Xianshu; Li, Hao; Xu, Yanan; Zhao, Yue; Du, Hongbin","A fluoride-free siliceous STW-type zeolite synthesized using a designed organic structure-directing agent.","Chemical communications (Cambridge, England)","2023","59","12","1649","1652","10.1039/d2cc05850b","","x-ray","1.34139","GaKα","","0.0758","0.0516","","","0.1211","0.1305","","","","","","1.057","","","","has coordinates,has disorder","283134","2023-05-05","00:40:30",""
"7131209","22.5678","0.0008","17.3752","0.0008","12.8103","0.0006","90","","106.295","0.005","90","","4821.4","0.4","160","0.1","160.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H63 Si -","- C60 H63 Si -","- C240 H252 Si4 -","4","1","","Wang, Peng; Hu, Jinlian; Xu, Zhuofan; Pu, Zhaofangzhou; Sato, Sota; Zhang, Xiaotao; Hu, Wenping; Sun, Zhe","Synthesis and structure elucidation of triarylmethyl radicals with anthryl substitution.","Chemical communications (Cambridge, England)","2023","59","14","2015","2018","10.1039/d2cc06083c","","","1.54184","CuKα","","0.141","0.0825","","","0.2005","0.2381","","","","","","1.004","","","","has coordinates,has disorder","283071","2023-05-05","00:20:36",""
"7131210","27.4174","0.001","12.3393","0.0004","24.1653","0.0007","90","","108.966","0.004","90","","7731.6","0.5","293","0.1","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H55 Si -","- C46 H55 Si -","- C368 H440 Si8 -","8","1","","Wang, Peng; Hu, Jinlian; Xu, Zhuofan; Pu, Zhaofangzhou; Sato, Sota; Zhang, Xiaotao; Hu, Wenping; Sun, Zhe","Synthesis and structure elucidation of triarylmethyl radicals with anthryl substitution.","Chemical communications (Cambridge, England)","2023","59","14","2015","2018","10.1039/d2cc06083c","","","1.54184","CuKα","","0.0707","0.0578","","","0.141","0.1505","","","","","","1.062","","","","has coordinates","283071","2023-05-05","00:20:36",""
"7131211","22.2041","0.0005","17.585","0.0004","12.6494","0.0003","90","","105.508","0.002","90","","4759.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 O Si -","- C60 H64 O Si -","- C240 H256 O4 Si4 -","4","1","","Wang, Peng; Hu, Jinlian; Xu, Zhuofan; Pu, Zhaofangzhou; Sato, Sota; Zhang, Xiaotao; Hu, Wenping; Sun, Zhe","Synthesis and structure elucidation of triarylmethyl radicals with anthryl substitution.","Chemical communications (Cambridge, England)","2023","59","14","2015","2018","10.1039/d2cc06083c","","","1.54184","CuKα","","0.1267","0.0891","","","0.2553","0.2949","","","","","","1.064","","","","has coordinates","283071","2023-05-05","00:20:36",""
"7131212","10.1868","0.0005","10.3053","0.0004","18.3253","0.0008","90","","90","","90","","1923.75","0.15","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl5 N2 O2 Sb -","- C10 H24 Cl5 N2 O2 Sb -","- C40 H96 Cl20 N8 O8 Sb4 -","4","1","","Liu, Qin; Peng, Hang; Qi, Jun-Chao; Lu, Yan-Zi; Yang, Shu-Jing; Liao, Wei-Qiang","A photoluminescent chiral lead-free hybrid ferroelastic semiconductor with switchable second-harmonic generation.","Chemical communications (Cambridge, England)","2023","59","13","1793","1796","10.1039/d2cc06575d","","x-ray","0.71073","MoKα","","0.052","0.0366","","","0.0656","0.0708","","","","","","0.965","","","","has coordinates","283069","2023-05-05","00:20:04",""
"7131213","14.9992","0.0011","6.4237","0.0005","21.1674","0.0018","90","","95.605","0.004","90","","2029.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C96 H92 N4 O12 S4 -","4","1","","Tang, Nana; Zachmann, Raphael J.; Xie, Hui; Zheng, Jun; Breit, Bernhard","Visible-light induced metal-free intramolecular reductive cyclisations of ketones with alkynes and allenes.","Chemical communications (Cambridge, England)","2023","59","15","2122","2125","10.1039/d2cc06972e","","x-ray","1.54184","CuKα","","0.0326","0.0295","","","0.0778","0.0802","","","","","","1.036","","","","has coordinates","283097","2023-05-05","00:27:14",""
"7131214","20.05","0.004","16.6","0.003","10.28","0.002","90","","90","","90","","3421.5","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","2","","Tang, Nana; Zachmann, Raphael J.; Xie, Hui; Zheng, Jun; Breit, Bernhard","Visible-light induced metal-free intramolecular reductive cyclisations of ketones with alkynes and allenes.","Chemical communications (Cambridge, England)","2023","59","15","2122","2125","10.1039/d2cc06972e","","x-ray","0.71073","MoKα","","0.0378","0.0342","","","0.086","0.0889","","","","","","1.046","","","","has coordinates","283097","2023-05-05","00:27:14",""
"7131215","11.5886","0.0002","27.8179","0.0004","16.6789","0.0003","90","","101.99","0.002","90","","5259.48","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45 Mn3 N3 O15 -","- C57 H45 Mn3 N3 O15 -","- C228 H180 Mn12 N12 O60 -","4","1","","Amombo Noa, Francoise M.; Cheung, Ocean; Åhlén, Michelle; Ahlberg, Elisabet; Nehla, Priyanka; Salazar-Alvarez, Germán; Ershadrad, Soheil; Sanyal, Biplab; Öhrström, Lars","A hexagon based Mn(II) rod metal-organic framework - structure, SF<sub>6</sub> gas sorption, magnetism and electrochemistry.","Chemical communications (Cambridge, England)","2023","59","15","2106","2109","10.1039/d2cc06916d","","x-ray","1.54184","CuKα","","0.127","0.1176","","","0.3164","0.3216","","","","","","1.051","","","","has coordinates,has disorder","283099","2023-05-05","00:27:37",""
"7131216","14.0581","0.0015","19.545","0.002","18.7522","0.0017","90","","104.975","0.005","90","","4977.5","0.9","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H69 K N2 -","- C55 H69 K N2 -","- C220 H276 K4 N8 -","4","1","","Liu, Chen; Dai, Yuyang; Han, Qiqi; Liu, Chunmeng; Su, Yuanting","Crystalline heaviest pnictogen-dipyrromethenes: isolation, characterization, and reactivity.","Chemical communications (Cambridge, England)","2023","59","15","2161","2164","10.1039/d2cc05736k","","","1.34139","GaKα","","0.1528","0.0786","","","0.1946","0.241","","","","","","1.007","","","","has coordinates","283100","2023-05-05","00:27:55",""
"7131217","11.8029","0.0006","13.8511","0.0007","20.2711","0.0011","89.719","0.001","77.72","0.001","65.449","0.001","2932.4","0.3","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H77 Bi Cl2 N2 -","- C62 H77 Bi Cl2 N2 -","- C124 H154 Bi2 Cl4 N4 -","2","1","","Liu, Chen; Dai, Yuyang; Han, Qiqi; Liu, Chunmeng; Su, Yuanting","Crystalline heaviest pnictogen-dipyrromethenes: isolation, characterization, and reactivity.","Chemical communications (Cambridge, England)","2023","59","15","2161","2164","10.1039/d2cc05736k","","","1.34139","GaKα","","0.0264","0.0261","","","0.0693","0.0696","","","","","","1.086","","","","has coordinates,has disorder","283100","2023-05-05","00:27:55",""
"7131218","15.4132","0.0008","13.2255","0.0007","21.3888","0.0011","90","","93.634","0.002","90","","4351.3","0.4","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H61 N2 Sb -","- C48 H61 N2 Sb -","- C192 H244 N8 Sb4 -","4","1","","Liu, Chen; Dai, Yuyang; Han, Qiqi; Liu, Chunmeng; Su, Yuanting","Crystalline heaviest pnictogen-dipyrromethenes: isolation, characterization, and reactivity.","Chemical communications (Cambridge, England)","2023","59","15","2161","2164","10.1039/d2cc05736k","","","1.34139","GaKα","","0.0525","0.0384","","","0.0953","0.1008","","","","","","1.075","","","","has coordinates","283100","2023-05-05","00:27:55",""
"7131219","11.7747","0.0014","13.6594","0.0016","20.446","0.002","90.015","0.004","103.015","0.004","114.68","0.003","2894.7","0.6","129","2","129","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H73 Cl2 N2 Sb -","- C60 H73 Cl2 N2 Sb -","- C120 H146 Cl4 N4 Sb2 -","2","1","","Liu, Chen; Dai, Yuyang; Han, Qiqi; Liu, Chunmeng; Su, Yuanting","Crystalline heaviest pnictogen-dipyrromethenes: isolation, characterization, and reactivity.","Chemical communications (Cambridge, England)","2023","59","15","2161","2164","10.1039/d2cc05736k","","","1.34139","GaKα","","0.0731","0.0725","","","0.2163","0.2166","","","","","","1.07","","","","has coordinates","283100","2023-05-05","00:27:55",""
"7131220","8.7528","0.0002","10.3009","0.0002","13.3655","0.0002","71.01","0.001","73.278","0.001","75.204","0.001","1073.74","0.04","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C54 H46 N2 O8 -","2","1","","Xiao, Lei; Jin, Lvnan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed cyclopropanation of 3-alkenyl-oxindoles with diazomethanes.","Chemical communications (Cambridge, England)","2023","59","13","1833","1836","10.1039/d2cc06744g","","","1.54178","CuKα","","0.0371","0.0339","","","0.0835","0.0855","","","","","","1.037","","","","has coordinates","283067","2023-05-05","00:19:43",""
"7131221","13.2115","0.0003","14.3699","0.0003","24.8145","0.0005","90","","90","","90","","4710.98","0.17","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Br N O5 -","- C27 H22 Br N O5 -","- C216 H176 Br8 N8 O40 -","8","1","","Xiao, Lei; Jin, Lvnan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed cyclopropanation of 3-alkenyl-oxindoles with diazomethanes.","Chemical communications (Cambridge, England)","2023","59","13","1833","1836","10.1039/d2cc06744g","","","1.54178","CuKα","","0.0327","0.0274","","","0.0734","0.0764","","","","","","1.052","","","","has coordinates","283067","2023-05-05","00:19:45",""
"7131222","6.267","0.005","14.093","0.01","20.143","0.016","90","","90","","90","","1779","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe Si -","- C20 H22 Fe Si -","- C80 H88 Fe4 Si4 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.075","0.0482","","","0.1157","0.1309","","","","","","1.033","","","","has coordinates","283044","2023-05-05","00:11:44",""
"7131223","9.4885","0.0009","10.5604","0.001","15.0107","0.0015","88.962","0.002","79.165","0.002","79.812","0.002","1453.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Fe O P -","- C30 H35 Fe O P -","- C60 H70 Fe2 O2 P2 -","2","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0553","0.0485","","","0.1364","0.1442","","","","","","1.042","","","","has coordinates,has disorder","283044","2023-05-05","00:11:45",""
"7131224","11.632","0.0018","16.84","0.002","15.7789","0.0019","90","","126.253","0.008","90","","2492.5","0.6","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Fe S2 -","- C29 H28 Fe S2 -","- C116 H112 Fe4 S8 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0632","0.0449","","","0.1046","0.1135","","","","","","1.067","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131225","7.7","0.002","10.814","0.003","29.94","0.008","90","","90","","90","","2493","1.2","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Fe -","- C17 H14 Fe -","- C136 H112 Fe8 -","8","2","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0513","0.0467","","","0.1215","0.127","","","","","","1.03","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131226","7.7863","0.0012","16.223","0.003","19.281","0.003","90","","91.63","0.003","90","","2434.5","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Fe P -","- C29 H33 Fe P -","- C116 H132 Fe4 P4 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0877","0.0558","","","0.1479","0.1664","","","","","","1.051","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131227","9.7049","0.0002","7.639","0.0002","22.9671","0.0005","90","","94.658","0.001","90","","1697.06","0.07","273","2","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Fe N O -","- C21 H21 Fe N O -","- C84 H84 Fe4 N4 O4 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0384","0.0352","","","0.0826","0.0845","","","","","","1.083","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131228","6.0004","0.001","21.296","0.004","14.418","0.002","90","","99.583","0.003","90","","1816.7","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cl Fe S -","- C23 H17 Cl Fe S -","- C92 H68 Cl4 Fe4 S4 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0515","0.0361","","","0.091","0.1009","","","","","","1.045","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131229","8.559","0.005","11.896","0.006","23.988","0.013","90","","90","","90","","2442","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Fe S2 -","- C29 H28 Fe S2 -","- C116 H112 Fe4 S8 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.1085","0.0612","","","0.1484","0.1713","","","","","","0.951","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131230","11.2416","0.0003","19.7855","0.0006","14.5494","0.0004","90","","107.395","0.001","90","","3088.09","0.15","273","2","273","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Cl3 Fe N O2 P -","- C30 H39 Cl3 Fe N O2 P -","- C120 H156 Cl12 Fe4 N4 O8 P4 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0627","0.0441","","","0.1024","0.1125","","","","","","1.021","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131231","12.2854","0.0006","20.4848","0.001","10.5744","0.0004","90","","90.403","0.002","90","","2661.1","0.2","273","2","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl Fe -","- C17 H13 Cl Fe -","- C136 H104 Cl8 Fe8 -","8","2","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0924","0.0854","","","0.2454","0.2503","","","","","","1.08","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131232","27.5946","0.0003","27.5946","0.0003","27.5946","0.0003","90","","90","","90","","21012.2","0.4","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C58 H58 Cu2 F8 N6 O17 -","- C46 H20 Cu2 F8 N2 O8 -","- C276 H120 Cu12 F48 N12 O48 -","6","0.125","","Fu, Xing-Ping; Shen, Ji-Wei; Chen, Ling; Zhong, De-Xin; Wang, Yu-Ling; Liu, Qing-Yan","Dicopper(II) paddle-wheel metal-organic frameworks for high propyne storage under ambient conditions.","Chemical communications (Cambridge, England)","2023","59","16","2263","2266","10.1039/d2cc06684j","","x-ray","0.71073","MoKα","","0.0819","0.059","","","0.1823","0.2005","","","","","","1.052","","","","has coordinates,has disorder","283046","2023-05-05","00:12:08",""
"7131233","16.114","0.003","22.258","0.004","22.529","0.004","86.035","0.002","78.839","0.002","70.732","0.002","7483","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C134 H180 In4 N8 -","- C134 H180 In4 N8 -","- C268 H360 In8 N16 -","2","1","","Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric","An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.","Chemical communications (Cambridge, England)","2023","59","20","2903","2906","10.1039/d2cc07006e","","","0.71073","MoKα","","0.0809","0.0501","","","0.1307","0.1484","","","","","","1.017","","","","has coordinates","283060","2023-05-05","00:17:27",""
"7131234","10.7833","0.0008","13.3363","0.001","21.1279","0.0016","107.761","0.0011","102.81","0.0012","91.5239","0.0012","2807","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H61 B F15 In N2 O -","- C57 H61 B F15 In N2 O -","- C114 H122 B2 F30 In2 N4 O2 -","2","1","","Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric","An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.","Chemical communications (Cambridge, England)","2023","59","20","2903","2906","10.1039/d2cc07006e","","","0.71073","MoKα","","0.038","0.0321","","","0.081","0.0854","","","","","","1.039","","","","has coordinates,has disorder","283060","2023-05-05","00:17:27",""
"7131235","13.2848","0.0003","15.2957","0.0003","16.2903","0.0004","90","","91.8769","0.0013","90","","3308.42","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 B N2 O2 -","- C36 H53 B N2 O2 -","- C144 H212 B4 N8 O8 -","4","1","","Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric","An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.","Chemical communications (Cambridge, England)","2023","59","20","2903","2906","10.1039/d2cc07006e","","","1.54178","CuKα","","0.0549","0.0433","","","0.1146","0.1232","","","","","","1.05","","","","has coordinates","283060","2023-05-05","00:17:27",""
"7131236","19.5691","0.0004","15.1755","0.0003","21.1457","0.0004","90","","114.35","0.0008","90","","5721.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H86 Li2 N4 -","- C63 H86 Li2 N4 -","- C252 H344 Li8 N16 -","4","0.5","","Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric","An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.","Chemical communications (Cambridge, England)","2023","59","20","2903","2906","10.1039/d2cc07006e","","","1.54178","CuKα","","0.0403","0.0388","","","0.1053","0.1068","","","","","","1.059","","","","has coordinates,has disorder","283060","2023-05-05","00:17:27",""
"7131237","10.9546","0.0016","25.751","0.004","23.267","0.003","90","","91.891","0.003","90","","6559.9","1.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 In N3 -","- C67 H86 In N3 -","- C268 H344 In4 N12 -","4","1","","Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric","An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.","Chemical communications (Cambridge, England)","2023","59","20","2903","2906","10.1039/d2cc07006e","","","0.71073","MoKα","","0.0726","0.0479","","","0.1231","0.1401","","","","","","1.015","","","","has coordinates,has disorder","283060","2023-05-05","00:17:27",""
"7131238","17.924","0.0003","18.1563","0.0003","19.0661","0.0003","66.0552","0.0007","69.6779","0.0007","71.9143","0.0008","5212.75","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C204 H302 In6 N12 P8 -","- C180 H246 In6 N12 P8 -","- C180 H246 In6 N12 P8 -","1","0.5","","Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric","An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.","Chemical communications (Cambridge, England)","2023","59","20","2903","2906","10.1039/d2cc07006e","","","1.54178","CuKα","","0.0271","0.0237","","","0.061","0.0645","","","","","","1.038","","","","has coordinates","283060","2023-05-05","00:17:27",""
"7131239","12.2415","0.0009","12.4061","0.0009","14.3641","0.001","84.434","0.001","67.597","0.001","68.455","0.001","1873.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 B N8 S Zn -","- C43 H39 B N8 S Zn -","- C86 H78 B2 N16 S2 Zn2 -","2","1","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","K-L~3~","0.0429","0.0362","","","0.1215","0.1288","","","","","","1.016","","","","has coordinates","283050","2023-05-05","00:13:43",""
"7131240","16.2876","0.0011","12.058","0.0008","17.5877","0.0012","90","","101.437","0.001","90","","3385.6","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 B N7 S2 Zn -","- C37 H32 B N7 S2 Zn -","- C148 H128 B4 N28 S8 Zn4 -","4","1","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","K-L~3~","0.0348","0.0271","","","0.065","0.0688","","","","","","1.03","","","","has coordinates","283050","2023-05-05","00:13:44",""
"7131241","12.0736","0.0003","12.1394","0.0004","12.754","0.0004","103.502","0.001","112.528","0.001","92.326","0.001","1661.25","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 B N7 S Zn -","- C38 H34 B N7 S Zn -","- C76 H68 B2 N14 S2 Zn2 -","2","1","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","","0.0297","0.0276","","","0.0675","0.0688","","","","","","1.053","","","","has coordinates","283050","2023-05-05","00:13:44",""
"7131242","16.0769","0.0005","12.0606","0.0004","17.4588","0.0005","90","","101.321","0.001","90","","3319.34","0.18","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 B N7 O S Zn -","- C37 H32 B N7 O S Zn -","- C148 H128 B4 N28 O4 S4 Zn4 -","4","1","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0658","0.0698","","","","","","1.043","","","","has coordinates","283050","2023-05-05","00:13:44",""
"7131243","13.2565","0.001","16.8902","0.0011","16.1386","0.0013","90","","107.479","0.002","90","","3446.7","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 B N8 S Zn -","- C38 H35 B N8 S Zn -","- C152 H140 B4 N32 S4 Zn4 -","4","1","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","","0.0496","0.0378","","","0.0918","0.1006","","","","","","1.054","","","","has coordinates","283050","2023-05-05","00:13:44",""
"7131244","11.7128","0.0007","9.8315","0.0005","35.78","0.002","90","","95.106","0.002","90","","4103.9","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B N5 S Zn -","- C50 H44 B N5 S Zn -","- C200 H176 B4 N20 S4 Zn4 -","4","1","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","","0.0574","0.0368","","","0.0803","0.0874","","","","","","1.028","","","","has coordinates","283050","2023-05-05","00:13:44",""
"7131245","16.078","0.002","20.118","0.003","23.9","0.004","90","","98.684","0.004","90","","7642","2","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 B N7 S2 Zn -","- C42 H37 B N7 S2 Zn -","- C336 H296 B8 N56 S16 Zn8 -","8","2","","Seo, Hyeonglim; Kohlbrand, Alysia J.; Stokes, Ryjul W.; Chung, Jeewon; Cohen, Seth M.","Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.","Chemical communications (Cambridge, England)","2023","59","16","2283","2286","10.1039/d2cc06596g","","x-ray","0.71073","MoKα","","0.1546","0.1325","","","0.3099","0.3223","","","","","","1.152","","","","has coordinates","283050","2023-05-05","00:13:44",""
"7131246","15.4337","0.0003","15.4337","0.0003","10.8282","0.0004","90","","90","","90","","2579.27","0.12","173","2","173","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C8 H24 Cl20 Si11 Sn4 -","- C8.004 H24 Cl19.996 Si10.998 Sn4.002 -","- C16.008 H48 Cl39.992 Si21.996 Sn8.004 -","2","0.125","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0314","0.0301","","","0.0677","0.0684","","","","","","1.187","","","","has coordinates,has disorder","283047","2023-05-05","00:12:34",""
"7131247","17.1568","0.0011","18.8562","0.001","15.1154","0.0009","90","","90","","90","","4890","0.5","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C21.72 H65.15 Cl2.28 Ge4.86 Si9.14 -","- C21.718 H67.148 Cl2.282 Ge4.859 Si9.141 -","- C86.872 H268.592 Cl9.128 Ge19.436 Si36.564 -","4","0.25","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0762","0.0429","","","0.0864","0.0995","","","","","","1.04","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131248","17.4656","0.0005","18.7853","0.0006","15.0222","0.0005","90","","90","","90","","4928.7","0.3","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H72 Ge6 Si8 -","- C24 H72 Ge6 Si8 -","- C96 H288 Ge24 Si32 -","4","0.25","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0334","0.0268","","","0.0632","0.0656","","","","","","1.124","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131249","25.2179","0.0004","15.3306","0.0002","12.6825","0.0002","90","","90","","90","","4903.12","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20.4 H60.8 Cl4.8 Ge4 Si10 -","- C20.398 H60.7956 Cl4.802 Ge3.999 Si10.001 -","- C81.592 H243.182 Cl19.208 Ge15.996 Si40.004 -","4","0.5","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0405","0.0325","","","0.0817","0.0856","","","","","","1.043","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131250","20.2374","0.0004","12.5486","0.0003","37.1944","0.0009","90","","90","","90","","9445.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H60 Cl4 Ge4 Si10 -","- C20 H60 Cl4 Ge4 Si10 -","- C160 H480 Cl32 Ge32 Si80 -","8","1","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0909","0.0525","","","0.1076","0.1208","","","","","","1.06","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131251","16.3968","0.0017","16.3968","0.0017","14.4171","0.0012","90","","90","","120","","3356.8","0.6","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C14 H24 Cd N2 O6 -","- C14 H24 Cd N2 O6 -","- C84 H144 Cd6 N12 O36 -","6","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.097","0.0725","","","0.1893","0.2152","","","","","","1.028","","","","has coordinates","282621","2023-04-13","12:20:37",""
"7131252","16.3028","0.0008","16.3028","0.0008","14.8888","0.0005","90","","90","","120","","3427","0.3","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C12 H16 Br Cd N2 O2 -","- C12 H16 Br Cd N2 O2 -","- C72 H96 Br6 Cd6 N12 O12 -","6","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","x-ray","0.71073","MoKα","","0.1337","0.0955","","","0.2463","0.299","","","","","","1.038","","","","has coordinates","282621","2023-04-13","12:20:47",""
"7131253","16.4524","0.0013","16.4524","0.0013","14.6419","0.0008","90","","90","","120","","3432.3","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C12 H17 Cd Cl N2 O2 -","- C12 H17 Cd Cl N2 O2 -","- C72 H102 Cd6 Cl6 N12 O12 -","6","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.1255","0.0817","","","0.1941","0.227","","","","","","0.993","","","","has coordinates","282621","2023-04-13","12:20:49",""
"7131254","6.0266","0.0003","16.6464","0.0009","9.3779","0.0004","90","","97.785","0.005","90","","932.13","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O7 Zn -","- C14 H26 N2 O7 Zn -","- C28 H52 N4 O14 Zn2 -","2","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","x-ray","0.71073","MoKα","","0.04","0.0389","","","0.0998","0.1009","","","","","","1.067","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131255","6.9868","0.0002","13.2624","0.0004","16.4698","0.0006","90","","90","","90","","1526.12","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N3 O0.25 Zn -","- C12 H17 Cl N2 O2 Zn -","- C48 H68 Cl4 N8 O8 Zn4 -","4","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.0287","0.0262","","","0.0658","0.069","","","","","","0.833","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131256","7.3246","0.0004","13.5488","0.0005","16.3806","0.0007","90","","90","","90","","1625.6","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br N2 O2 Zn -","- C12 H17 Br N2 O2 Zn -","- C48 H68 Br4 N8 O8 Zn4 -","4","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.0435","0.0346","","","0.068","0.0717","","","","","","1.022","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131257","10.8751","0.0004","12.1292","0.0005","13.2669","0.0004","81.942","0.001","68.671","0.001","73.751","0.001","1563.57","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64 B4 Eu2 N24 -","- C57 H56 B4 Eu2 N24 -","- C57 H56 B4 Eu2 N24 -","1","0.5","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0478","0.0389","","","0.0826","0.0863","","","","","","1.076","","","","has coordinates,has disorder","283101","2023-05-05","00:28:32",""
"7131258","14.2463","0.0008","12.1041","0.0006","13.4211","0.0006","90","","90","","90","","2314.3","0.2","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H20 B2 N12 Yb -","- C18 H20 B2 N12 Yb -","- C72 H80 B8 N48 Yb4 -","4","1","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.1008","0.0494","","","0.0906","0.1069","","","","","","1.045","","","","has coordinates","283101","2023-05-05","00:28:33",""
"7131259","14.5364","0.0006","16.068","0.0006","15.1359","0.0008","90","","90","","90","","3535.3","0.3","150","","150","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H44 B2 Eu N12 O3 -","- C30 H44 B2 Eu N12 O3 -","- C120 H176 B8 Eu4 N48 O12 -","4","0.5","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0867","0.0449","","","0.0798","0.0929","","","","","","0.989","","","","has coordinates","283101","2023-05-05","00:28:33",""
"7131260","11.784","0.0004","12.0768","0.0004","14.8349","0.0005","73.445","0.001","83.841","0.001","65.654","0.001","1843.6","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 B2 N12 O P Yb -","- C36 H35 B2 N12 O P Yb -","- C72 H70 B4 N24 O2 P2 Yb2 -","2","1","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0697","0.0421","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates,has disorder","283101","2023-05-05","00:28:33",""
"7131261","11.4074","0.0006","11.9061","0.0006","27.7046","0.0015","90.55","0.002","95.543","0.002","99.885","0.002","3688.3","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C26.5 H40 B2 F1.5 K0.5 N12 O5.5 S0.5 Yb -","- C26.5 H40 B2 F1.5 K0.5 N12 O5.5 S0.5 Yb -","- C106 H160 B8 F6 K2 N48 O22 S2 Yb4 -","4","2","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0362","0.0332","","","0.079","0.0803","","","","","","1.121","","","","has coordinates,has disorder","283101","2023-05-05","00:28:33",""
"7131262","12.4734","0.0015","22.587","0.003","23.443","0.003","74.834","0.004","89.184","0.004","78.004","0.004","6229.9","1.4","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H50 B2 Eu N12 O2 P2 -","- C54 H50 B2 Eu N12 O2 P2 -","- C216 H200 B8 Eu4 N48 O8 P8 -","4","2","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.1782","0.0914","","","0.1803","0.2154","","","","","","0.996","","","","has coordinates","283101","2023-05-05","00:28:33",""
"7131263","10.2076","0.0004","15.3147","0.0006","20.1892","0.0008","90","","97.534","0.001","90","","3128.9","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 B2 Eu N12 O2 -","- C26 H36 B2 Eu N12 O2 -","- C104 H144 B8 Eu4 N48 O8 -","4","0.5","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0205","0.0186","","","0.0458","0.0464","","","","","","1.094","","","","has coordinates,has disorder","283101","2023-05-05","00:28:33",""
"7131264","8.893","0.0002","21.3773","0.0006","14.6247","0.0004","90","","104.066","0.001","90","","2696.91","0.12","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 B2 N12 O Yb -","- C22 H28 B2 N12 O Yb -","- C88 H112 B8 N48 O4 Yb4 -","4","1","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0297","0.0229","","","0.0527","0.0553","","","","","","1.06","","","","has coordinates","283101","2023-05-05","00:28:33",""
"7131265","19.1041","0.0015","16.1012","0.0015","19.415","0.002","90","","116.588","0.003","90","","5340.5","0.9","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H82 Al K N4 O7 Si2 -","- C46 H82 Al K N4 O7 Si2 -","- C184 H328 Al4 K4 N16 O28 Si8 -","4","0.5","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0694","0.0575","","","0.1524","0.1599","","","","","","1.1","","","","has coordinates,has disorder","283101","2023-05-05","00:28:33",""
"7131266","17.124","0.003","18.094","0.003","19.856","0.003","89.056","0.007","69.647","0.006","76.348","0.006","5590.6","1.6","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H56 B2 F6 K N12 O12 S2 Y -","- C42.5 H56 B2 F6 K N12 O12 S2 Y -","- C170 H224 B8 F24 K4 N48 O48 S8 Y4 -","4","2","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.2332","0.1035","","","0.2556","0.3159","","","","","","1.035","","","","has coordinates,has disorder","283101","2023-05-05","00:28:33",""
"7131267","4.8747","0.0002","10.5771","0.0004","44.7202","0.0016","90","","90","","90","","2305.78","0.15","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2R,3S,4S,6S)-4-azido-3-(benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolyl)tetrahydro-2H-pyran","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C108 H116 N12 O12 -","4","1","","Ghouilem, Juba; Bazzi, Sokna; Grimblat, Nicolas; Retailleau, Pascal; Gandon, Vincent; Messaoudi, Samir","Transient imine as a directing group for the Pd-catalyzed anomeric C(sp<sup>3</sup>)-H arylation of 3-aminosugars.","Chemical communications (Cambridge, England)","2023","59","17","2497","2500","10.1039/d3cc00046j","","x-ray","0.71073","MoKα","","0.0536","0.0405","","","0.0896","0.0948","","","","","","1.033","","","","has coordinates,has disorder","281331","2023-03-04","17:43:56",""
"7131268","4.9654","0.0003","10.7233","0.0008","44.847","0.003","90","","90","","90","","2387.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2R,3S,4S,6S)-4-azido-3-(benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolyl)tetrahydro-2H-pyran","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C108 H116 N12 O12 -","4","1","","Ghouilem, Juba; Bazzi, Sokna; Grimblat, Nicolas; Retailleau, Pascal; Gandon, Vincent; Messaoudi, Samir","Transient imine as a directing group for the Pd-catalyzed anomeric C(sp<sup>3</sup>)-H arylation of 3-aminosugars.","Chemical communications (Cambridge, England)","2023","59","17","2497","2500","10.1039/d3cc00046j","","","1.54187","CuKα","","0.082","0.0521","","","0.1056","0.1197","","","","","","0.81","","","","has coordinates,has disorder","281331","2023-03-04","17:43:56",""
"7131269","7.3035","0.0002","9.1624","0.0003","12.5664","0.0003","76.416","0.002","89.655","0.002","79.328","0.002","802.63","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","difluoroboron-1-(1-ethyl-1H-pyrrol-2-yl)-3-oxo-3-(1-(thiophen-2-yl)-1H-pyrrol-2-yl)prop-2-en-1-one","","- C17 H15 B F2 N2 O2 S -","- C17 H15 B F2 N2 O2 S -","- C34 H30 B2 F4 N4 O4 S2 -","2","1","","Liu, Zheng-Fei; Zeng, Lan; Niu, Li-Ya; Yang, Qing-Zheng","Rotors tailoring molecular stacking for constructing multi-stimuli-responsive luminescent materials.","Chemical communications (Cambridge, England)","2023","59","17","2453","2456","10.1039/d2cc06847h","","x-ray","1.54184","CuKα","","0.0336","0.0327","","","0.0858","0.0865","","","","","","1.046","","","","has coordinates","281332","2023-03-04","17:44:07",""
"7131270","8.4059","0.0002","9.797","0.0002","11.4192","0.0002","109.969","0.002","99.326","0.002","104.781","0.002","821.86","0.04","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 B F2 N2 O2 S -","- C17 H15 B F2 N2 O2 S -","- C34 H30 B2 F4 N4 O4 S2 -","2","1","","Liu, Zheng-Fei; Zeng, Lan; Niu, Li-Ya; Yang, Qing-Zheng","Rotors tailoring molecular stacking for constructing multi-stimuli-responsive luminescent materials.","Chemical communications (Cambridge, England)","2023","59","17","2453","2456","10.1039/d2cc06847h","","","1.54184","CuKα","","0.0273","0.0263","","","0.0702","0.0708","","","","","","1.0921","","","","has coordinates,has disorder","281332","2023-03-04","17:44:08",""
"7131271","9.1007","0.0003","18.3155","0.0006","10.1535","0.0004","90","","99.269","0.003","90","","1670.33","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 F12 Mn N2 O4 -","- C34 H24 F12 Mn N2 O4 -","- C68 H48 F24 Mn2 N4 O8 -","2","0.5","","Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Samoľová, Erika; Zalibera, Michal; Bieńko, Alina; Boča, Roman","Slow magnetic relaxation in two mononuclear Mn(II) complexes not governed by the over-barrier Orbach process.","Chemical communications (Cambridge, England)","2023","59","18","2612","2615","10.1039/d2cc06510j","","","1.54186","CuKα","","0.0427","0.0351","","","0.0891","0.0936","","","","","","1.037","","","","has coordinates","283007","2023-05-04","23:55:39",""
"7131272","9.0957","0.0012","14.6737","0.0014","14.2674","0.0017","90","","107.613","0.005","90","","1815","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl2 F12 Mn N2 O4 -","- C34 H22 Cl2 F12 Mn N2 O4 -","- C68 H44 Cl4 F24 Mn2 N4 O8 -","2","0.5","","Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Samoľová, Erika; Zalibera, Michal; Bieńko, Alina; Boča, Roman","Slow magnetic relaxation in two mononuclear Mn(II) complexes not governed by the over-barrier Orbach process.","Chemical communications (Cambridge, England)","2023","59","18","2612","2615","10.1039/d2cc06510j","","","0.71073","MoKα","","0.0345","0.0279","","","0.0617","0.0646","","","","","","1.051","","","","has coordinates,has disorder","283007","2023-05-04","23:55:41",""
"7131273","7.4498","0.0005","5.9711","0.0004","15.5448","0.0012","90","","100.466","0.003","90","","679.98","0.08","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B3 Cs F2 H2 O5 -","- B3 Cs F2 H2 O5 -","- B12 Cs4 F8 H8 O20 -","4","1","","Chen, Ziqi; Li, Fuming; Han, Jian; Yang, Zhihua; Pan, Shilie; Mutailipu, Miriding","Cs[B<sub>3</sub>O<sub>3</sub>F<sub>2</sub>(OH)<sub>2</sub>]: discovery of a hydroxyfluorooxoborate guided by selective organic-inorganic transformation.","Chemical communications (Cambridge, England)","2023","59","15","2114","2117","10.1039/d2cc06924e","","","0.71073","MoKα","","0.0475","0.0299","","","0.0463","0.0501","","","","","","1.067","","","","has coordinates","283103","2023-05-05","00:28:55",""
"7131274","15.5193","0.0003","18.998","0.0004","20.2822","0.0003","68.8958","0.0017","81.7243","0.0014","69.6826","0.0019","5230.51","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H101 Al F36 O9 P2 Rh -","- C103 H101 Al F36 O9 P2 Rh -","- C206 H202 Al2 F72 O18 P4 Rh2 -","2","1","","Emerson-King, Jack; Pan, Sudip; Gyton, Matthew R.; Tonner-Zech, Ralf; Chaplin, Adrian B.","Synthesis of a rhodium(III) dinitrogen complex using a calix[4]arene-based diphosphine ligand.","Chemical communications (Cambridge, England)","2023","59","15","2150","2152","10.1039/d2cc06837k","","x-ray","0.71073","MoKα","","0.0544","0.0446","","","0.1192","0.1282","","","","","","1.042","","","","has coordinates,has disorder","283098","2023-05-05","00:27:27",""
"7131275","15.5463","0.0003","19.0107","0.0003","20.2914","0.0004","68.6774","0.0016","81.8355","0.0014","69.7753","0.0015","5241.18","0.18","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C103 H99 Al F36 N2 O8 P2 Rh -","- C103 H99 Al F36 N2 O8 P2 Rh -","- C206 H198 Al2 F72 N4 O16 P4 Rh2 -","2","1","","Emerson-King, Jack; Pan, Sudip; Gyton, Matthew R.; Tonner-Zech, Ralf; Chaplin, Adrian B.","Synthesis of a rhodium(III) dinitrogen complex using a calix[4]arene-based diphosphine ligand.","Chemical communications (Cambridge, England)","2023","59","15","2150","2152","10.1039/d2cc06837k","","x-ray","0.71073","MoKα","","0.077","0.0533","","","0.1269","0.1408","","","","","","1.048","","","","has coordinates,has disorder","283098","2023-05-05","00:27:27",""
"7131276","13.0303","0.0007","43.234","0.003","10.2922","0.0007","90","","90","","90","","5798.1","0.6","324","2","324","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C240 H208 N16 O48 S16 -","16","1","","Chakraborty, Nikita; Rajbongshi, Kamal K.; Dahiya, Anjali; Das, Bubul; Vaishnani, Akshar; Patel, Bhisma K.","NIS-initiated photo-induced oxidative decarboxylative sulfoximidation of cinnamic acids.","Chemical communications (Cambridge, England)","2023","59","19","2779","2782","10.1039/d3cc00142c","","","0.71073","MoKα","","0.0758","0.0532","","","0.0856","0.0947","","","","","","1.065","","","","has coordinates","283045","2023-05-05","00:11:56",""
"7131277","12.8991","0.0006","13.8257","0.0008","15.8833","0.0009","68.189","0.005","80.409","0.004","67.475","0.005","2428.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O2 -","- C28 H26 N4 O2 -","- C112 H104 N16 O8 -","4","2","","Zhao, Shuang; He, Yi; Gao, Feiyu; Wei, Yue; Zhang, Jiawei; Chen, Mengxiao; Gao, Yunyun; Zhang, Yuan; Liu, Jun-Yan; Guo, Zufeng; Li, Zhenghua; Nie, Shenyou","Rapid access to C2-quaternary 3-methyleneindolines <i>via</i> base-mediated post-Ugi Conia-ene cyclization.","Chemical communications (Cambridge, England)","2023","59","21","3099","3102","10.1039/d2cc06281j","","x-ray","0.71073","MoKα","","0.1606","0.0747","","","0.1542","0.1954","","","","","","1.044","","","","has coordinates","283109","2023-05-05","00:29:52",""
"7131278","10.3509","0.0003","14.6047","0.0004","17.996","0.0005","79.742","0.001","86.213","0.001","70.578","0.001","2524.6","0.12","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 B Co N4 O2 -","- C62 H60 B Co N4 O2 -","- C124 H120 B2 Co2 N8 O4 -","2","1","","Zhang, Jia; Li, Songyi; Fang, Huayi","C-H bond activations by the HO˙/(Salophen<sup><i>t</i>-Bu</sup>)Co(II) radical pair generated <i>via</i> homolysis of a terminal Co(III)-OH bond.","Chemical communications (Cambridge, England)","2023","59","22","3245","3248","10.1039/d3cc00146f","","","0.71073","MoKα","","0.0436","0.0357","","","0.0803","0.0852","","","","","","1.031","","","","has coordinates","282255","2023-04-04","09:36:34",""
"7131279","12.3922","0.0001","16.0308","0.0002","27.8061","0.0003","90","","98.765","0.001","90","","5459.36","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H35 Co N2 O3 -","- C31 H35 Co N2 O3 -","- C248 H280 Co8 N16 O24 -","8","1","","Zhang, Jia; Li, Songyi; Fang, Huayi","C-H bond activations by the HO˙/(Salophen<sup><i>t</i>-Bu</sup>)Co(II) radical pair generated <i>via</i> homolysis of a terminal Co(III)-OH bond.","Chemical communications (Cambridge, England)","2023","59","22","3245","3248","10.1039/d3cc00146f","","","1.54178","CuKα","","0.0332","0.0318","","","0.0895","0.0901","","","","","","1.079","","","","has coordinates","282255","2023-04-04","09:36:35",""
"7131280","12.5798","0.0002","13.696","0.0002","34.2286","0.0004","90","","99.139","0.001","90","","5822.48","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H76 Co2 N4 O12 S -","- C63 H76 Co2 N4 O12 S -","- C252 H304 Co8 N16 O48 S4 -","4","1","","Zhang, Jia; Li, Songyi; Fang, Huayi","C-H bond activations by the HO˙/(Salophen<sup><i>t</i>-Bu</sup>)Co(II) radical pair generated <i>via</i> homolysis of a terminal Co(III)-OH bond.","Chemical communications (Cambridge, England)","2023","59","22","3245","3248","10.1039/d3cc00146f","","","1.54178","CuKα","","0.0653","0.0547","","","0.1435","0.1509","","","","","","1.034","","","","has coordinates","282255","2023-04-04","09:36:35",""
"7131281","13.8058","0.0003","13.8879","0.0002","14.8417","0.0002","90.258","0.001","95.743","0.002","94.842","0.002","2821.02","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Co2 N6 O4 -","- C60 H64 Co2 N6 O4 -","- C120 H128 Co4 N12 O8 -","2","1","","Zhang, Jia; Li, Songyi; Fang, Huayi","C-H bond activations by the HO˙/(Salophen<sup><i>t</i>-Bu</sup>)Co(II) radical pair generated <i>via</i> homolysis of a terminal Co(III)-OH bond.","Chemical communications (Cambridge, England)","2023","59","22","3245","3248","10.1039/d3cc00146f","","x-ray","1.54184","CuKα","","0.0524","0.0418","","","0.1061","0.111","","","","","","1.009","","","","has coordinates","282255","2023-04-04","09:36:35",""
"7131282","8.833","0.0002","12.9871","0.0004","13.374","0.0004","79.77","0.002","73.532","0.002","71.813","0.002","1391.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 Co N2 O3.187 -","- C32 H37 Co N2 O3.187 -","- C64 H74 Co2 N4 O6.374 -","2","1","","Zhang, Jia; Li, Songyi; Fang, Huayi","C-H bond activations by the HO˙/(Salophen<sup><i>t</i>-Bu</sup>)Co(II) radical pair generated <i>via</i> homolysis of a terminal Co(III)-OH bond.","Chemical communications (Cambridge, England)","2023","59","22","3245","3248","10.1039/d3cc00146f","","x-ray","1.54184","CuKα","","0.0428","0.0408","","","0.1239","0.1255","","","","","","1.0375","","","","has coordinates,has disorder","282255","2023-04-04","09:36:35",""
"7131283","14.227","0.002","18.221","0.004","26.44","0.005","98.237","0.015","92.972","0.015","106.495","0.013","6473","2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C140 N10 O10 Y3 -","- C140 N10 O10 Y3 -","- C280 N20 O20 Y6 -","2","1","","Zhang, Junxi; Wang, Yitu; Zhou, Xigeng","Lanthanide-catalyzed deamidative cyclization of secondary amides and ynones through tandem C-H and C-N activation.","Chemical communications (Cambridge, England)","2023","59","22","3253","3256","10.1039/d3cc00216k","","x-ray","1.34138","GaKα","","0.0714","0.063","","","0.1902","0.2002","","","","","","1.053","","","","has coordinates","282256","2023-04-04","09:37:08",""
"7131284","19.065","0.002","19.065","0.002","13.9","0.003","90","","90","","90","","5052.3","1.3","298","","298","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C14 H20 O -","- C14 H20 O -","- C224 H320 O16 -","16","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","Electrochemical synthesis of 2-alkyl-4-phenylalkan-2-ols <i>via</i> cathodic reductive coupling of alkynes with unactivated aliphatic ketones.","Chemical communications (Cambridge, England)","2023","59","20","2915","2918","10.1039/d2cc06819b","","","0.71073","MoKα","","0.1108","0.0574","","","0.1467","0.1756","","","","","","1.038","","","","has coordinates","283064","2023-05-05","00:18:57",""
"7131285","20.8014","0.0015","22.7333","0.0019","21.0106","0.0018","90","","94.774","0.002","90","","9901.1","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C148 H222 Ag34 Nb6 O23 -","- C148 H222 Ag34 Nb6 O23 -","- C296 H444 Ag68 Nb12 O46 -","2","0.5","","Biao Wu, ?; Li, Xin-Xiong; Zheng, Shou-Tian; Xie, Jianping","The first polyoxoniobate-templated silver cluster with temperature-dependent luminescent emission.","Chemical communications (Cambridge, England)","2023","59","20","2927","2930","10.1039/d3cc00128h","","","0.71073","MoKα","","0.0762","0.0733","","","0.2093","0.2104","","","","","","1.064","","","","has coordinates,has disorder","283063","2023-05-05","00:18:43",""
"7131286","14.9244","0.0008","14.9531","0.0009","16.6482","0.0009","84.92","0.003","66.901","0.002","67.164","0.002","3140.7","0.3","292","2","292","","","","","","","","","6","P -1","-P 1","2","","","","- C120 H107 Mo12 N3 O43 P5 -","- C120 H107 Mo12 N3 O43 P5 -","- C120 H107 Mo12 N3 O43 P5 -","1","0.5","","Tandekar, Kesar; Schmidtmann, Marc; Tripathi, Anjali; Mishra, Neeraj Kumar; Supriya, Sabbani","Light-induced dissolution and concomitant crystallization of a Keggin-type polyoxometalate mimicking a naturally occurring phenomenon.","Chemical communications (Cambridge, England)","2023","59","22","3241","3244","10.1039/d2cc03273b","","","0.71073","MoKα","","0.074","0.0679","","","0.1416","0.1439","","","","","","1.362","","","","has coordinates,has disorder","282259","2023-04-04","09:39:00",""
"7131287","14.6105","0.0011","15.5593","0.0011","22.6072","0.0016","89.026","0.003","88.285","0.004","82.439","0.003","5091.9","0.6","292","2","292.04","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 Mo12 N2 O42 P4 -","- C88 H78 Mo12 N2 O42 P4 -","- C176 H156 Mo24 N4 O84 P8 -","2","1","","Tandekar, Kesar; Schmidtmann, Marc; Tripathi, Anjali; Mishra, Neeraj Kumar; Supriya, Sabbani","Light-induced dissolution and concomitant crystallization of a Keggin-type polyoxometalate mimicking a naturally occurring phenomenon.","Chemical communications (Cambridge, England)","2023","59","22","3241","3244","10.1039/d2cc03273b","","","0.71073","MoKα","","0.072","0.0476","","","0.0964","0.1081","","","","","","1.021","","","","has coordinates,has disorder","282259","2023-04-04","09:39:12",""
"7131288","14.219","0.003","25.074","0.006","27.423","0.007","90","","97.437","0.011","90","","9695","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H75.75 Mo12 N1.75 O41.75 P4 -","- C72 H60 Mo12 O40 P4 -","- C288 H240 Mo48 O160 P16 -","4","1","","Tandekar, Kesar; Schmidtmann, Marc; Tripathi, Anjali; Mishra, Neeraj Kumar; Supriya, Sabbani","Light-induced dissolution and concomitant crystallization of a Keggin-type polyoxometalate mimicking a naturally occurring phenomenon.","Chemical communications (Cambridge, England)","2023","59","22","3241","3244","10.1039/d2cc03273b","","","0.71073","MoKα","","0.0795","0.053","","","0.0996","0.1104","","","","","","1.034","","","","has coordinates,has disorder","282259","2023-04-04","09:39:15",""
"7131289","27.4329","0.0005","14.3395","0.0002","24.0718","0.0004","90","","122.513","0.001","90","","7985.1","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H88 Cl2 N8 -","- C99 H88 Cl2 N8 -","- C396 H352 Cl8 N32 -","4","0.5","","Derkowski, Wojciech; Kumar, Dharmandra; Gryber, Tomasz; Wagner, Jakub; Morawiak, Maja; Kochman, Michał Andrzej; Kubas, Adam; Data, Przemysław; Lindner, Marcin","V-shaped donor–acceptor organic emitters. A new approach towards efficient TADF OLED devices","Chemical Communications","2023","59","19","2815","2818","10.1039/D2CC06978D","","","1.54178","CuKα","","0.1135","0.083","","","0.2192","0.246","","","","","","0.963","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131290","10.7776","0.0003","11.731","0.0003","13.5047","0.0003","83.888","0.002","74.717","0.002","67.276","0.001","1519.17","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H32 N4 -","- C42 H32 N4 -","- C84 H64 N8 -","2","1","","Derkowski, Wojciech; Kumar, Dharmandra; Gryber, Tomasz; Wagner, Jakub; Morawiak, Maja; Kochman, Michał Andrzej; Kubas, Adam; Data, Przemysław; Lindner, Marcin","V-shaped donor–acceptor organic emitters. A new approach towards efficient TADF OLED devices","Chemical Communications","2023","59","19","2815","2818","10.1039/D2CC06978D","","","1.54178","CuKα","","0.1046","0.0477","","","0.1092","0.1428","","","","","","1.038","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131291","12.7869","0.0003","14.6254","0.0003","18.925","0.0004","90","","100.786","0.001","90","","3476.7","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Cl2 N4 -","- C43 H34 Cl2 N4 -","- C172 H136 Cl8 N16 -","4","1","","Derkowski, Wojciech; Kumar, Dharmandra; Gryber, Tomasz; Wagner, Jakub; Morawiak, Maja; Kochman, Michał Andrzej; Kubas, Adam; Data, Przemysław; Lindner, Marcin","V-shaped donor–acceptor organic emitters. A new approach towards efficient TADF OLED devices","Chemical Communications","2023","59","19","2815","2818","10.1039/D2CC06978D","","","1.54178","CuKα","","0.1178","0.0822","","","0.2429","0.281","","","","","","1.046","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131292","16.0496","0.0008","18.367","0.0007","18.5626","0.0009","90","","90","","90","","5471.9","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55.5 H51 Cu3 I3 N3 O1.5 P3 -","- C51 H42 Cu3 I3 N3 P3 -","- C204 H168 Cu12 I12 N12 P12 -","4","1","","Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.","A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.","Chemical communications (Cambridge, England)","2023","59","20","2923","2926","10.1039/d3cc00119a","","x-ray","0.71073","MoKα","","0.0458","0.0416","","","0.0994","0.1016","","","","","","1.043","","","","has coordinates,has disorder","283061","2023-05-05","00:17:49",""
"7131293","12.32556","0.00019","12.5965","0.0002","14.6574","0.0003","97.7266","0.0015","95.1796","0.0015","93.0511","0.0013","2240.89","0.07","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H70 Cl16 Cu4 I4 N6 P4 -","- C74 H70 Cl16 Cu4 I4 N6 P4 -","- C74 H70 Cl16 Cu4 I4 N6 P4 -","1","0.5","","Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.","A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.","Chemical communications (Cambridge, England)","2023","59","20","2923","2926","10.1039/d3cc00119a","","x-ray","0.71073","MoKα","","0.0437","0.0303","","","0.0568","0.06","","","","","","0.993","","","","has coordinates","283061","2023-05-05","00:17:50",""
"7131294","17.1143","0.001","17.8898","0.0011","18.7126","0.0008","90","","90","","90","","5729.3","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tri-nuclear complex of copper(I) iodide with tris(2-pyridyl) phosphine and triphenylphosphine (benzonitrile solvate)","","- C58 H47 Cu3 I3 N4 P3 -","- C58 H47 Cu3 I3 N4 P3 -","- C232 H188 Cu12 I12 N16 P12 -","4","1","","Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.","A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.","Chemical communications (Cambridge, England)","2023","59","20","2923","2926","10.1039/d3cc00119a","","","0.71073","MoKα","","0.0795","0.0407","","","0.0845","0.0991","","","","","","1.014","","","","has coordinates","283061","2023-05-05","00:17:50",""
"7131295","19.356","0.0015","14.3616","0.0012","20.5605","0.0018","90","","118.06","0.003","90","","5043.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-nuclear complex of copper(I) iodide with tris(2-pyridyl) phosphine and triphenylphosphine (acetonitrile solvate)","","- C53 H45 Cu2 I2 N4 P3 -","- C53 H45 Cu2 I2 N4 P3 -","- C212 H180 Cu8 I8 N16 P12 -","4","1","","Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.","A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.","Chemical communications (Cambridge, England)","2023","59","20","2923","2926","10.1039/d3cc00119a","","","0.71073","MoKα","","0.068","0.0388","","","0.0828","0.1053","","","","","","1.068","","","","has coordinates","283061","2023-05-05","00:17:50",""
"7131296","9.4202","0.0007","18.552","0.0013","12.6365","0.0009","90","","110.294","0.001","90","","2071.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O6 -","- C24 H21 N O6 -","- C96 H84 N4 O24 -","4","1","","Qiu, Dong; Liu, Huiyang; Sun, Shuai; Ni, Hongyan; Su, Yijin","Bromide-mediated, C2-selective, and oxygenative alkylation of pyridinium salts using alkenes and molecular oxygen.","Chemical communications (Cambridge, England)","2023","59","19","2807","2810","10.1039/d2cc06138d","","","0.71073","MoKα","","0.046","0.0371","","","0.0773","0.0822","","","","","","1.001","","","","has coordinates","283043","2023-05-05","00:11:17",""
"7131297","7.713","0.002","13.434","0.004","19.831","0.006","90","","90","","90","","2054.8","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Qiu, Dong; Liu, Huiyang; Sun, Shuai; Ni, Hongyan; Su, Yijin","Bromide-mediated, C2-selective, and oxygenative alkylation of pyridinium salts using alkenes and molecular oxygen.","Chemical communications (Cambridge, England)","2023","59","19","2807","2810","10.1039/d2cc06138d","","","0.71073","MoKα","","0.0504","0.0383","","","0.1087","0.1291","","","","","","1.001","","","","has coordinates","283043","2023-05-05","00:11:17",""
"7131298","10.1385","0.0002","19.145","0.0005","15.7602","0.0003","90","","90","","90","","3059.08","0.12","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H56 Cu8 N8 S12 -","- C48 H56 Cu8 N8 S12 -","- C96 H112 Cu16 N16 S24 -","2","0.5","","Xu, Yue; Dong, Qing-Guo; Dong, Jian-Peng; Zhang, Huan; Li, Bo; Wang, Rui; Zang, Shuang-Quan","Assembly of copper-clusters into a framework: enhancing the structural stability and photocatalytic HER performance.","Chemical communications (Cambridge, England)","2023","59","21","3067","3070","10.1039/d3cc00275f","","","1.54184","CuKα","","0.0525","0.0449","","","0.1138","0.1189","","","","","","1.051","","","","has coordinates,has disorder","283108","2023-05-05","00:29:42",""
"7131299","9.6327","0.0001","19.2788","0.0003","18.8668","0.0002","90","","91.176","0.001","90","","3502.96","0.08","200","0.1","200","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 Cu7 F6 N8 O8 S10 -","- C56 H62 Cu7 F6 N8 O8 S10 -","- C112 H124 Cu14 F12 N16 O16 S20 -","2","0.5","","Xu, Yue; Dong, Qing-Guo; Dong, Jian-Peng; Zhang, Huan; Li, Bo; Wang, Rui; Zang, Shuang-Quan","Assembly of copper-clusters into a framework: enhancing the structural stability and photocatalytic HER performance.","Chemical communications (Cambridge, England)","2023","59","21","3067","3070","10.1039/d3cc00275f","","","1.54184","CuKα","","0.0829","0.0645","","","0.1758","0.1904","","","","","","1.045","","","","has coordinates,has disorder","283108","2023-05-05","00:29:43",""
"7131300","9.4574","0.0002","10.5099","0.0002","39.2952","0.0006","90","","90","","90","","3905.8","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 N O10 -","- C44 H41 N O10 -","- C176 H164 N4 O40 -","4","1","","Wang, Mengran; Wang, Chao; Xie, Xiuling; Pan, Da; Liu, Liangyu; Chen, Qiao; Li, Zhixuan; Zhang, Qi; Xu, Zhaoqing","Non-classical <i>C</i>-saccharide linkage of dehydroalanine: synthesis of <i>C</i>-glycoamino acids and <i>C</i>-glycopeptides.","Chemical communications (Cambridge, England)","2023","59","22","3305","3308","10.1039/d2cc06653j","","x-ray","1.54184","CuKα","","0.0781","0.0736","","","0.1985","0.2018","","","","","","1.097","","","","has coordinates,has disorder","282254","2023-04-04","09:35:57",""
"7131301","4.9614","0.0005","19.3463","0.0015","24.007","0.002","90","","91.22","0.01","90","","2303.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F N4 O6 S -","- C22 H25 F N4 O6 S -","- C88 H100 F4 N16 O24 S4 -","4","1","","Dickmann, Catherine G Fitzgerald; McDonald, Alexander F.; Huynh, Nhi; Rigopoulos, Angela; Liu, Zhanqi; Guo, Nancy; Osellame, Laura D.; Gorman, Michael A.; Parker, Michael W.; Gan, Hui K.; Scott, Andrew M.; Ackermann, Uwe; Burvenich, Ingrid J. G.; White, Jonathan M.","Bromodomain and extraterminal protein-targeted probe enables tumour visualisation <i>in vivo</i> using positron emission tomography.","Chemical communications (Cambridge, England)","2023","59","21","3126","3129","10.1039/d2cc04813b","","x-ray","1.54184","CuKα","","0.1739","0.1084","","","0.2133","0.2404","","","","","","1.146","","","","has coordinates","283110","2023-05-05","00:30:02",""
"7131302","6.1065","0.0002","27.0005","0.0006","18.783","0.0005","90","","95.064","0.002","90","","3084.83","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O Si -","- C15 H16 Br N O Si -","- C120 H128 Br8 N8 O8 Si8 -","8","2","","Dickmann, Catherine G Fitzgerald; McDonald, Alexander F.; Huynh, Nhi; Rigopoulos, Angela; Liu, Zhanqi; Guo, Nancy; Osellame, Laura D.; Gorman, Michael A.; Parker, Michael W.; Gan, Hui K.; Scott, Andrew M.; Ackermann, Uwe; Burvenich, Ingrid J. G.; White, Jonathan M.","Bromodomain and extraterminal protein-targeted probe enables tumour visualisation <i>in vivo</i> using positron emission tomography.","Chemical communications (Cambridge, England)","2023","59","21","3126","3129","10.1039/d2cc04813b","","x-ray","1.54184","CuKα","","0.0872","0.0733","","","0.1934","0.21","","","","","","1.027","","","","has coordinates","283110","2023-05-05","00:30:02",""
"7131303","7.5225","0.0002","17.1489","0.0004","19.5229","0.0004","89.986","0.002","88.363","0.002","89.925","0.002","2517.47","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H58 N2 O8 S2 Si2 -","- C53 H58 N2 O8 S2 Si2 -","- C106 H116 N4 O16 S4 Si4 -","2","1","","Dickmann, Catherine G Fitzgerald; McDonald, Alexander F.; Huynh, Nhi; Rigopoulos, Angela; Liu, Zhanqi; Guo, Nancy; Osellame, Laura D.; Gorman, Michael A.; Parker, Michael W.; Gan, Hui K.; Scott, Andrew M.; Ackermann, Uwe; Burvenich, Ingrid J. G.; White, Jonathan M.","Bromodomain and extraterminal protein-targeted probe enables tumour visualisation <i>in vivo</i> using positron emission tomography.","Chemical communications (Cambridge, England)","2023","59","21","3126","3129","10.1039/d2cc04813b","","x-ray","1.54184","CuKα","","0.1039","0.0736","","","0.1879","0.215","","","","","","1.023","","","","has coordinates","283110","2023-05-05","00:30:02",""
"7131304","11.6158","0.0003","25.7155","0.0008","12.4043","0.0004","90","","94.105","0.003","90","","3695.73","0.19","104","7","104","7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H36 N4 -","- C52 H36 N4 -","- C208 H144 N16 -","4","1","","Mutoh, Katsuya; Moriyama, Natsuho; Abe, Jiro","Acceleration of the thermal back-reaction and the finding of a non-photochromic isomer for a negative photochromic binaphthyl-bridged imidazole dimer.","Chemical communications (Cambridge, England)","2023","59","20","2962","2965","10.1039/d2cc06942c","","","0.71073","MoKα","","0.096","0.0476","","","0.0944","0.1114","","","","","","1.0332","","","","has coordinates,has disorder","283062","2023-05-05","00:18:15",""
"7131305","9.525","0.0005","14.4544","0.0009","26.138","0.0012","90","","90","","90","","3598.6","0.3","106","8","106","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C50 H32 N4 -","- C50 H32 N4 -","- C200 H128 N16 -","4","1","","Mutoh, Katsuya; Moriyama, Natsuho; Abe, Jiro","Acceleration of the thermal back-reaction and the finding of a non-photochromic isomer for a negative photochromic binaphthyl-bridged imidazole dimer.","Chemical communications (Cambridge, England)","2023","59","20","2962","2965","10.1039/d2cc06942c","","x-ray","0.71073","MoKα","","0.0675","0.05","","","0.1102","0.1176","","","","","","1.021","","","","has coordinates","283062","2023-05-05","00:18:16",""
"7131306","13.5892","0.0003","17.5461","0.0004","19.4886","0.0004","90","","90","","90","","4646.81","0.18","105","8","105","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C64 H48 N4 -","- C64 H48 N4 -","- C256 H192 N16 -","4","1","","Mutoh, Katsuya; Moriyama, Natsuho; Abe, Jiro","Acceleration of the thermal back-reaction and the finding of a non-photochromic isomer for a negative photochromic binaphthyl-bridged imidazole dimer.","Chemical communications (Cambridge, England)","2023","59","20","2962","2965","10.1039/d2cc06942c","","x-ray","0.71073","MoKα","","0.0931","0.0552","","","0.1024","0.1144","","","","","","1.012","","","","has coordinates","283062","2023-05-05","00:18:16",""
"7131307","22.5852","0.0005","12.2019","0.0003","7.3075","0.0002","90","","99.15","0.002","90","","1988.19","0.09","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N0.5 O10 S4 -","- C16 H17 N0.5 O10 S4 -","- C64 H68 N2 O40 S16 -","4","1","","Morimachi, Yuto; Urai, Mizuki; Nakajima, Ryota; Kamebuchi, Hajime; Miyagawa, Kazuya; Kanoda, Kazushi; Zhou, Biao","An organic superconductor, (TEA)(HEDO-TTF-dc)<sub>2</sub>·2(H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>), coupled with strong hydrogen-bonding interactions.","Chemical communications (Cambridge, England)","2023","59","28","4162","4165","10.1039/d3cc00080j","","","0.71073","MoKα","","0.037","0.0292","","","0.0757","0.0806","","","","","","1.018","","","","has coordinates,has disorder","283014","2023-05-04","23:59:24",""
"7131308","6.8601","0.0002","13.4801","0.0004","19.2445","0.0005","90","","90","","90","","1779.63","0.09","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O6 S4 -","- C14 H17 N O6 S4 -","- C56 H68 N4 O24 S16 -","4","1","","Morimachi, Yuto; Urai, Mizuki; Nakajima, Ryota; Kamebuchi, Hajime; Miyagawa, Kazuya; Kanoda, Kazushi; Zhou, Biao","An organic superconductor, (TEA)(HEDO-TTF-dc)<sub>2</sub>·2(H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>), coupled with strong hydrogen-bonding interactions.","Chemical communications (Cambridge, England)","2023","59","28","4162","4165","10.1039/d3cc00080j","","","0.71073","MoKα","","0.0332","0.0293","","","0.0718","0.0739","","","","","","1.024","","","","has coordinates,has disorder","283014","2023-05-04","23:59:25",""
"7131309","21.6596","0.001","10.1234","0.0005","15.4018","0.0007","90","","98.644","0.001","90","","3338.8","0.3","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H50 F4 N4 O10 Zn2 -","- C66 H50 F4 N4 O10 Zn2 -","- C132 H100 F8 N8 O20 Zn4 -","2","0.5","","Hou, Leixin; Jing, Xu; Huang, Huilin; Duan, Chunying","Integrating a fluorinated photoactive chromophore into metal-organic frameworks for selective trifluoroethylation of styrenes.","Chemical communications (Cambridge, England)","2023","59","23","3407","3410","10.1039/d3cc00257h","","","0.71073","MoKα","","0.0577","0.0407","","","0.0986","0.1105","","","","","","0.781","","","","has coordinates","283106","2023-05-05","00:29:25",""
"7131310","10.0759","0.0007","11.0409","0.0007","12.3655","0.0007","102.261","0.002","95.473","0.002","92.621","0.002","1335.04","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 Bi N4 O13 -","- C23 H33 Bi N4 O13 -","- C46 H66 Bi2 N8 O26 -","2","1","","Lucio-Martínez, Fátima; Esteban-Gómez, David; Valencia, Laura; Horváth, Dávid; Szücs, Dániel; Fekete, Anikó; Szikra, Dezső; Tircsó, Gyula; Platas-Iglesias, Carlos","Rigid H<sub>4</sub>OCTAPA derivatives as model chelators for the development of Bi(III)-based radiopharmaceuticals.","Chemical communications (Cambridge, England)","2023","59","23","3443","3446","10.1039/d2cc06876a","","","0.71073","MoKα","","0.0122","0.0119","","","0.0285","0.0286","","","","","","1.085","","","","has coordinates","283105","2023-05-05","00:29:16",""
"7131311","8.9617","0.0003","13.5542","0.0005","20.2007","0.0007","90","","90","","90","","2453.75","0.15","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Bi N4 O9 -","- C24 H27 Bi N4 O9 -","- C96 H108 Bi4 N16 O36 -","4","1","","Lucio-Martínez, Fátima; Esteban-Gómez, David; Valencia, Laura; Horváth, Dávid; Szücs, Dániel; Fekete, Anikó; Szikra, Dezső; Tircsó, Gyula; Platas-Iglesias, Carlos","Rigid H<sub>4</sub>OCTAPA derivatives as model chelators for the development of Bi(III)-based radiopharmaceuticals.","Chemical communications (Cambridge, England)","2023","59","23","3443","3446","10.1039/d2cc06876a","","","0.71073","MoKα","","0.0253","0.0238","","","0.0523","0.0529","","","","","","1.056","","","","has coordinates","283105","2023-05-05","00:29:17",""
"7131312","11.894","0.0008","13.8863","0.0006","14.5801","0.0009","90","","108.178","0.007","90","","2287.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O4 S -","- C23 H26 N2 O4 S -","- C92 H104 N8 O16 S4 -","4","1","","Yang, Fu-Yuan; Han, Tian-Jiao; Jia, Shi-Kun; Wang, Min-Can; Mei, Guang-Jian","Catalytic [2,3]-sigmatropic rearrangement of sulfonium ylides derived from azoalkenes: non-carbenoid Doyle-Kirmse reaction.","Chemical communications (Cambridge, England)","2023","59","21","3107","3110","10.1039/d3cc00160a","","x-ray","1.54184","CuKα","","0.0627","0.0504","","","0.1357","0.15","","","","","","1.034","","","","has coordinates","283107","2023-05-05","00:29:32",""
"7131313","11.569","0.002","14.57","0.003","20.867","0.004","90","","90","","90","","3517.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C168 H168 N8 O32 -","8","1","","Song, Yimei; Wu, Chaofei; Zhang, Jinhai; Zhang, Wenhai; Qin, Xin; Yang, Yixiao; Kang, Guowei; Jiang, Jun; Liu, Hongxin","Switchable multipath cascade cyclization to synthesize bicyclic lactams and succinimides <i>via</i> chemodivergent reaction.","Chemical communications (Cambridge, England)","2023","59","22","3313","3316","10.1039/d2cc06841a","","","0.71073","MoKα","","0.0517","0.0447","","","0.1787","0.1941","","","","","","1.013","","","","has coordinates","282257","2023-04-04","09:37:34",""
"7131314","8.5695","0.0013","9.9711","0.0013","11.4136","0.0017","80.396","0.002","88.581","0.002","72.582","0.002","917.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C42 H42 N2 O8 -","2","1","","Song, Yimei; Wu, Chaofei; Zhang, Jinhai; Zhang, Wenhai; Qin, Xin; Yang, Yixiao; Kang, Guowei; Jiang, Jun; Liu, Hongxin","Switchable multipath cascade cyclization to synthesize bicyclic lactams and succinimides <i>via</i> chemodivergent reaction.","Chemical communications (Cambridge, England)","2023","59","22","3313","3316","10.1039/d2cc06841a","","","0.71073","MoKα","","0.055","0.0512","","","0.1357","0.1403","","","","","","1.006","","","","has coordinates","282257","2023-04-04","09:37:47",""
"7131315","13.986","0.006","12.559","0.006","14.699","0.007","90","","110.157","0.007","90","","2423.7","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O5 -","- C25 H33.59 N2 O5 -","- C100 H134.36 N8 O20 -","4","1","","Song, Yimei; Wu, Chaofei; Zhang, Jinhai; Zhang, Wenhai; Qin, Xin; Yang, Yixiao; Kang, Guowei; Jiang, Jun; Liu, Hongxin","Switchable multipath cascade cyclization to synthesize bicyclic lactams and succinimides <i>via</i> chemodivergent reaction.","Chemical communications (Cambridge, England)","2023","59","22","3313","3316","10.1039/d2cc06841a","","","0.71073","MoKα","","0.0938","0.0724","","","0.2167","0.2478","","","","","","1.045","","","","has coordinates,has disorder","282257","2023-04-04","09:37:50",""
"7131316","10.1975","0.0005","20.3322","0.0011","19.3584","0.0011","90","","101.235","0.003","90","","3936.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 O8 S4 -","- C46 H40 O8 S4 -","- C184 H160 O32 S16 -","4","1","","Li, He-Ping; Wu, Xiao-Ling; Zhan, Gu; Fu, Xue-Ju; Chen, Jian-Hua; He, Xiang-Hong; Han, Bo","Construction of cyclopenta[b]dihydronaphthofurans via TsOH-catalyzed consecutive biscyclization of dithioallylic alcohols and 1-styrylnaphthols","Chemical Communications","2023","59","16","2275","2278","10.1039/D2CC06324G","","","1.54178","CuKα","","0.101","0.076","","","0.1954","0.2198","","","","","","1.099","","","","has coordinates","281068","2023-02-22","07:40:10",""
"7131317","11.0348","0.0009","18.794","0.0017","9.6827","0.0006","90","","111.244","0.004","90","","1871.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Li, He-Ping; Wu, Xiao-Ling; Zhan, Gu; Fu, Xue-Ju; Chen, Jian-Hua; He, Xiang-Hong; Han, Bo","Construction of cyclopenta[b]dihydronaphthofurans via TsOH-catalyzed consecutive biscyclization of dithioallylic alcohols and 1-styrylnaphthols","Chemical Communications","2023","59","16","2275","2278","10.1039/D2CC06324G","","","1.54178","CuKα","","0.0489","0.0414","","","0.1115","0.12","","","","","","1.031","","","","has coordinates","281068","2023-02-22","07:40:10",""
"7131318","9.5194","0.0003","9.5194","0.0003","11.726","0.0008","90","","90","","120","","920.24","0.07","273","2","273","2","","","","","","","","5","P 63","P 6c","173","","","","- Cl2 Ge3 Li0 S9 Sr4 -","- Cl2 Ge3 S9 Sr4 -","- Cl4 Ge6 S18 Sr8 -","2","0.333333","","Song, Yufei; Qian, Zhen; Zhou, Boru; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Wu, Hongping","A non-centrosymmetric chalcohalide synthesized through the combination of chemical tailoring with aliovalent substitution.","Chemical communications (Cambridge, England)","2023","59","22","3309","3312","10.1039/d2cc07084g","","","0.71073","MoKα","","0.0862","0.0473","","","0.083","0.0951","","","","","","1.04","","","","has coordinates","282260","2023-04-04","09:39:28",""
"7131319","8.9449","0.0002","13.8365","0.0004","13.8542","0.0004","90","","90","","90","","1714.68","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Hu, Bin-Yuan; Zhao, Yun-Li; Zhou, Zhong-Shun; Zhu, Yan-Yan; Luo, Xiao-Dong","Significant anti-inflammatory aziridine-containing indole alkaloids from the Chinese medicinal plant Alstonia scholaris","Chemical Communications","2023","59","16","2271","2274","10.1039/D2CC07029D","","","1.54178","CuKα","","0.0309","0.0308","","","0.0814","0.0815","","","","","","1.054","","","","has coordinates","281070","2023-02-22","07:41:30",""
"7131320","27.755","0.002","19.4743","0.0014","29.186","0.002","90","","90.276","0.002","90","","15775.1","1.9","201","","201","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C160 H170 Ag3 B2 F18 N16 O2 P3 -","- C144 H138 Ag3 B2 F18 N12 P3 -","- C576 H552 Ag12 B8 F72 N48 P12 -","4","0.5","","Zhang, Yi-Fan; Zhang, Ya-Wen; Li, Xin; Sun, Li-Ying; Han, Ying-Feng","Synthesis of triarylborane-centered N-heterocyclic carbene cages with tunable photophysical properties","Chemical Communications","2023","59","16","2291","2294","10.1039/D2CC06584C","","","0.71073","MoKα","","0.1137","0.0734","","","0.1867","0.2189","","","","","","1.047","","","","has coordinates,has disorder","281071","2023-02-22","07:42:24",""
"7131321","16.0941","0.0013","45.047","0.004","16.4682","0.0015","90","","105.336","0.002","90","","11514.2","1.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C187.5 H293 Cl27 N24 O11.5 -","- C176.5 H262 Cl11.9999 N24 O5.5 -","- C353 H524 Cl23.9998 N48 O11 -","2","1","","Kearsey, Rachel J.; Tarzia, Andrew; Little, Marc A.; Brand, Michael C.; Clowes, Rob; Jelfs, Kim E.; Cooper, Andrew I.; Greenaway, Rebecca L.","Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage.","Chemical communications (Cambridge, England)","2023","59","25","3731","3734","10.1039/d3cc00072a","","x-ray","0.71073","MoKα","","0.1259","0.0999","","","0.2502","0.2647","","","","","","1.5","","","","has coordinates,has disorder","283052","2023-05-05","00:14:41",""
"7131322","14.7314","0.0003","41.6927","0.0008","15.9578","0.0003","90","","94.0143","0.0019","90","","9777.1","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C168 H240 N24 -","- C168 H240 N24 -","- C336 H480 N48 -","2","1","","Kearsey, Rachel J.; Tarzia, Andrew; Little, Marc A.; Brand, Michael C.; Clowes, Rob; Jelfs, Kim E.; Cooper, Andrew I.; Greenaway, Rebecca L.","Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage.","Chemical communications (Cambridge, England)","2023","59","25","3731","3734","10.1039/d3cc00072a","","x-ray","0.71073","MoKα","","0.1257","0.066","","","0.12","0.1399","","","","","","1.005","","","","has coordinates","283052","2023-05-05","00:14:42",""
"7131323","12.3419","0.0001","20.9622","0.0001","18.1516","0.0001","90","","97.469","0.001","90","","4656.22","0.05","160","0.1","160","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Ag3 F9 O11 -","- C46 H40 Ag2.9992 F9 O11 -","- C184 H160 Ag11.9968 F36 O44 -","4","1","","Yang, Weiwei; Wang, Haiying; Chang, Rong; Feng, Zhitao; Zhu, Yumei; Sue, Andrew C.-H.","Handcuff-like metallo-pseudorotaxanes consisting of tiara[5]arene wheels and dimeric silver trifluoroacetate axles.","Chemical communications (Cambridge, England)","2023","59","17","2457","2460","10.1039/d2cc06951b","","x-ray","1.54184","CuKα","","0.0658","0.061","","","0.1581","0.1631","","","","","","1.047","","","","has coordinates,has disorder","281114","2023-02-24","07:35:26",""
"7131324","12.1078","0.0001","20.0062","0.0002","21.6776","0.0002","90","","90","","90","","5250.99","0.08","160","0.1","160","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 Ag2 Cl3 F6 O14 -","- C50 H51 Ag2 Cl3 F6 O14 -","- C200 H204 Ag8 Cl12 F24 O56 -","4","1","","Yang, Weiwei; Wang, Haiying; Chang, Rong; Feng, Zhitao; Zhu, Yumei; Sue, Andrew C.-H.","Handcuff-like metallo-pseudorotaxanes consisting of tiara[5]arene wheels and dimeric silver trifluoroacetate axles.","Chemical communications (Cambridge, England)","2023","59","17","2457","2460","10.1039/d2cc06951b","","x-ray","1.54184","CuKα","","0.0661","0.0637","","","0.1676","0.1713","","","","","","1.032","","","","has coordinates,has disorder","281114","2023-02-24","07:35:34",""
"7131325","12.1518","0.0003","20.0181","0.0005","21.6563","0.0007","90","","90","","90","","5268","0.3","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 Ag2 Cl3 F6 O14 -","- C50 H51 Ag2 Cl3 F6 O14 -","- C200 H204 Ag8 Cl12 F24 O56 -","4","1","","Yang, Weiwei; Wang, Haiying; Chang, Rong; Feng, Zhitao; Zhu, Yumei; Sue, Andrew C.-H.","Handcuff-like metallo-pseudorotaxanes consisting of tiara[5]arene wheels and dimeric silver trifluoroacetate axles.","Chemical communications (Cambridge, England)","2023","59","17","2457","2460","10.1039/d2cc06951b","","x-ray","1.54184","CuKα","","0.105","0.0756","","","0.2048","0.2272","","","","","","1.142","","","","has coordinates,has disorder","281114","2023-02-24","07:35:35",""
"7131326","9.3536","0.0008","11.259","0.0009","14.7083","0.0012","91.052","0.001","92.132","0.003","90.813","0.001","1547.5","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 F3 O4 P S -","- C34 H26 F3 O4 P S -","- C68 H52 F6 O8 P2 S2 -","2","1","","Fan, Ya-Xin; Huang, Hong-Li; Su, Qing-Qiang; Lv, Yong-Zheng; Li, Shan; Ma, Yan-Hua; Mao, Yan-Xin; Ma, Chun-Lin; Du, Ji-Yuan","Brønsted acid-mediated tandem cyclization of triarylphosphines and <i>in situ</i> generated <i>ortho</i>-alkynyl quinone methides: access to heterocyclic quaternary phosphonium salts.","Chemical communications (Cambridge, England)","2023","59","23","3463","3466","10.1039/d2cc06994f","","","0.71073","MoKα","","0.0798","0.0574","","","0.1531","0.1679","","","","","","1.036","","","","has coordinates","283104","2023-05-05","00:29:07",""
"7131327","9.7924","0.0008","10.8723","0.0009","16.3126","0.0014","98.275","0.002","97.02","0.002","116.223","0.004","1507.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 F3 O4 P S -","- C34 H26 F3 O4 P S -","- C68 H52 F6 O8 P2 S2 -","2","1","","Fan, Ya-Xin; Huang, Hong-Li; Su, Qing-Qiang; Lv, Yong-Zheng; Li, Shan; Ma, Yan-Hua; Mao, Yan-Xin; Ma, Chun-Lin; Du, Ji-Yuan","Brønsted acid-mediated tandem cyclization of triarylphosphines and <i>in situ</i> generated <i>ortho</i>-alkynyl quinone methides: access to heterocyclic quaternary phosphonium salts.","Chemical communications (Cambridge, England)","2023","59","23","3463","3466","10.1039/d2cc06994f","","","0.71073","MoKα","","0.1108","0.0707","","","0.1738","0.1939","","","","","","0.974","","","","has coordinates","283104","2023-05-05","00:29:08",""
"7131328","7.92736","0.00015","6.85921","0.00013","17.8681","0.0004","90","","101.645","0.0019","90","","951.59","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Ag F9 N -","- C5 H3 Ag F9 N -","- C20 H12 Ag4 F36 N4 -","4","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0182","0.0175","","","0.043","0.0433","","","","","","1.058","","","","has coordinates","283013","2023-05-04","23:59:10",""
"7131329","5.00405","0.00014","22.1354","0.0006","12.4017","0.0004","90","","93.858","0.003","90","","1370.58","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Ag F9 N2 -","- C10 H10 Ag F9 N2 -","- C40 H40 Ag4 F36 N8 -","4","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0457","0.0299","","","0.0588","0.0632","","","","","","1.067","","","","has coordinates","283013","2023-05-04","23:59:12",""
"7131330","8.1828","0.0007","9.0235","0.0007","10.0923","0.0008","92.634","0.003","92.974","0.003","106.819","0.003","710.9","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Ag F9 N2 -","- C10 H8 Ag F9 N2 -","- C20 H16 Ag2 F18 N4 -","2","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.043","0.0311","","","0.0626","0.0667","","","","","","1.074","","","","has coordinates","283013","2023-05-04","23:59:12",""
"7131331","14.95873","0.00016","9.33507","0.0001","18.31459","0.00018","90","","91.3241","0.001","90","","2556.78","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Ag As F9 O -","- C24 H21 Ag As F9 O -","- C96 H84 Ag4 As4 F36 O4 -","4","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0238","0.0201","","","0.0459","0.0475","","","","","","1.025","","","","has coordinates","283013","2023-05-04","23:59:12",""
"7131332","11.57973","0.00019","9.58956","0.00015","39.5558","0.0006","90","","93.1699","0.0014","90","","4385.73","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21.25 H15.5 Ag Cl0.5 F9 P -","- C21.25 H15.5 Ag Cl0.5 F9 P -","- C170 H124 Ag8 Cl4 F72 P8 -","8","2","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0348","0.0276","","","0.0565","0.0597","","","","","","1.051","","","","has coordinates,has disorder","283013","2023-05-04","23:59:12",""
"7131333","7.4904","0.0003","9.2769","0.0004","17.2085","0.0008","90","","90","","90","","1195.78","0.09","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 Ag F9 N -","- C8 H5 Ag F9 N -","- C32 H20 Ag4 F36 N4 -","4","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0358","0.0283","","","0.0609","0.0643","","","","","","1.046","","","","has coordinates,has disorder","283013","2023-05-04","23:59:12",""
"7131334","14.1238","0.0016","12.589","0.0015","18.094","0.002","90","","90","","90","","3217.2","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Ag F9 N2 -","- C13 H10 Ag F9 N2 -","- C104 H80 Ag8 F72 N16 -","8","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0922","0.0428","","","0.0865","0.1094","","","","","","1.045","","","","has coordinates","283013","2023-05-04","23:59:12",""
"7131335","11.0454","0.0012","13.4133","0.0013","18.2237","0.0016","77.351","0.003","81.676","0.003","75.621","0.003","2540.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","2","","Li, Can; Zhou, Zhengnan; Li, Yuling; Guo, Yinlong; Ma, Shengming","Reactivity of vinylidene-π-allyl palladium(II) species.","Chemical communications (Cambridge, England)","2023","59","25","3727","3730","10.1039/d2cc06871k","","","0.71073","MoKα","","0.1253","0.0751","","","0.1916","0.2346","","","","","","1.024","","","","has coordinates,has disorder","283051","2023-05-05","00:13:56",""
"7131336","23.2587","0.0006","14.7272","0.0004","30.037","0.0008","90","","102.526","0.001","90","","10043.8","0.5","100.15","","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Cluster 1","","- C72 H106 Ag14 F12 N4 O8 S10 -","- C72 H106 Ag14 F12 N4 O8 S10 -","- C288 H424 Ag56 F48 N16 O32 S40 -","4","0.5","","Das, Saikat; Sekine, Taishu; Mabuchi, Haruna; Hossain, Sakiat; Das, Subhabrata; Aoki, Shun; Takahashi, Shuntaro; Negishi, Yuichi","Silver cluster-assembled materials for label-free DNA detection.","Chemical communications (Cambridge, England)","2023","59","27","4000","4003","10.1039/d2cc06933d","","x-ray","0.71073","MoKα","","0.0214","0.0195","","","0.0396","0.0403","","","","","","1.082","","","","has coordinates","282268","2023-04-04","09:48:32",""
"7131337","28.808","0.002","28.808","0.002","11.3966","0.0014","90","","90","","120","","8190.9","1.3","100.15","","100.15","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","Cluster 2 Ag12bpeb","","- C96 H90 Ag12 F18 N6 O12 S6 -","- C96 H90 Ag12 F18 N6 O12 S6 -","- C288 H270 Ag36 F54 N18 O36 S18 -","3","0.0833333","","Das, Saikat; Sekine, Taishu; Mabuchi, Haruna; Hossain, Sakiat; Das, Subhabrata; Aoki, Shun; Takahashi, Shuntaro; Negishi, Yuichi","Silver cluster-assembled materials for label-free DNA detection.","Chemical communications (Cambridge, England)","2023","59","27","4000","4003","10.1039/d2cc06933d","","x-ray","0.71073","MoKα","","0.0615","0.0502","","","0.1248","0.1321","","","","","","1.04","","","","has coordinates,has disorder","282268","2023-04-04","09:48:32",""
"7131338","9.638","0.005","10.08","0.005","14.098","0.007","92.062","0.007","106.913","0.007","109.626","0.007","1220.6","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 F3 N O2 P -","- C27 H23 F3 N O2 P -","- C54 H46 F6 N2 O4 P2 -","2","1","","Zhao, Pengfei; Li, Peiyuan; Xiao, Jian; Wang, Yali; Hao, Xiaohui; Meng, Aiguo; Liu, Chunyan","Synthesis and antitumor activities of α-hydroxyamino phosphine oxides by catalyst-free hydrophosphinylation of nitrones.","Chemical communications (Cambridge, England)","2023","59","18","2624","2627","10.1039/d2cc06981d","","","0.71073","MoKα","","0.0688","0.0577","","","0.1876","0.2062","","","","","","1.086","","","","has coordinates","281178","2023-03-01","07:36:31",""
"7131339","8.1443","0.0005","9.6794","0.0006","13.0717","0.0008","81.178","0.002","89.732","0.003","83.318","0.002","1011.27","0.11","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O5 -","- C24 H18 N2 O5 -","- C48 H36 N4 O10 -","2","1","","Dhanaji, Jadhav Rahul; Samatha, Polasani; Raju, Silver; Mainkar, Prathama S.; Adepu, Raju; Chandrasekhar, Srivari","Substitution controlled aryne insertion: synthesis of diarylmethane/chromones.","Chemical communications (Cambridge, England)","2023","59","18","2648","2651","10.1039/d2cc05992d","","","0.71073","MoKα","","0.1567","0.0558","","","0.1315","0.1751","","","","","","0.997","","","","has coordinates","281179","2023-03-01","07:37:39",""
"7131340","24.577","0.003","8.2885","0.001","18.262","0.003","90","","101.819","0.007","90","","3641.2","0.9","303","2","303","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N0 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","","Dhanaji, Jadhav Rahul; Samatha, Polasani; Raju, Silver; Mainkar, Prathama S.; Adepu, Raju; Chandrasekhar, Srivari","Substitution controlled aryne insertion: synthesis of diarylmethane/chromones.","Chemical communications (Cambridge, England)","2023","59","18","2648","2651","10.1039/d2cc05992d","","","0.71073","MoKα","","0.0991","0.0536","","","0.1645","0.2097","","","","","","1.004","","","","has coordinates","281179","2023-03-01","07:37:40",""
"7131341","31.1921","0.0006","31.1921","0.0006","24.1196","0.0005","90","","90","","120","","20323.1","0.7","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C40.41 H44.82 Br4 O4 S4 -","- C36 H36 Br4 O4 S4 -","- C648 H648 Br72 O72 S72 -","18","0.5","","Yamada, Manabu; Yoshizaki, Ruka; Uemura, Fumiya; Katagiri, Hiroshi; Kato, Sumio; Akimoto, Kazuhiko; Hamada, Fumio","Facile separation of cyclic aliphatic and aromatic vapors using crystalline thiacalixarene assemblies with preorganized channels.","Chemical communications (Cambridge, England)","2023","59","18","2604","2607","10.1039/d2cc05647j","","","0.71073","MoKα","","0.0646","0.0423","","","0.0894","0.0984","","","","","","1.026","","","","has coordinates,has disorder","281180","2023-03-01","07:39:54",""
"7131342","31.1234","0.0003","31.1234","0.0003","24.1605","0.0002","90","","90","","120","","20268","0.3","223","0.1","223","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H42 Br4 O4 S4 -","- C42 H42 Br4 O4 S4 -","- C756 H756 Br72 O72 S72 -","18","0.5","","Yamada, Manabu; Yoshizaki, Ruka; Uemura, Fumiya; Katagiri, Hiroshi; Kato, Sumio; Akimoto, Kazuhiko; Hamada, Fumio","Facile separation of cyclic aliphatic and aromatic vapors using crystalline thiacalixarene assemblies with preorganized channels.","Chemical communications (Cambridge, England)","2023","59","18","2604","2607","10.1039/d2cc05647j","","x-ray","1.54184","CuKα","","0.0612","0.0563","","","0.154","0.1584","","","","","","1.043","","","","has coordinates,has disorder","281180","2023-03-01","07:40:00",""
"7131343","31.2941","0.0005","31.2941","0.0005","24.1681","0.0004","90","","90","","120","","20497.4","0.6","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C43 H44 Br4 O4 S4 -","- C36 H36 Br4 O4 S4 -","- C648 H648 Br72 O72 S72 -","18","0.5","","Yamada, Manabu; Yoshizaki, Ruka; Uemura, Fumiya; Katagiri, Hiroshi; Kato, Sumio; Akimoto, Kazuhiko; Hamada, Fumio","Facile separation of cyclic aliphatic and aromatic vapors using crystalline thiacalixarene assemblies with preorganized channels.","Chemical communications (Cambridge, England)","2023","59","18","2604","2607","10.1039/d2cc05647j","","","0.71073","MoKα","","0.0693","0.0449","","","0.1041","0.1177","","","","","","1.029","","","","has coordinates,has disorder","281180","2023-03-01","07:40:03",""
"7131344","11.6278","0.0003","12.6173","0.0005","20.3029","0.0007","107.031","0.003","96.387","0.003","99.377","0.003","2769.8","0.17","100","","100","","","","0","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.0547","0.0402","","","0.0859","0.0944","","","","","","1.045","","","","has coordinates","281181","2023-03-01","07:41:13",""
"7131345","11.6573","0.0008","12.423","0.0009","19.898","0.003","106.869","0.011","95.482","0.01","100.196","0.006","2680.8","0.5","293","2","293","2","","","410000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.1156","0.0806","","","0.1889","0.2115","","","","","","1.052","","","","has coordinates","281181","2023-03-01","07:41:21",""
"7131346","11.5239","0.0018","12.176","0.002","19.539","0.008","106.9","0.03","95.05","0.03","100.716","0.014","2547.9","1.3","293","2","293","2","","","1010000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.1921","0.1243","","","0.2842","0.3322","","","","","","1.145","","","","has coordinates","281181","2023-03-01","07:41:26",""
"7131347","11.6015","0.0008","12.2877","0.001","19.663","0.004","106.861","0.012","95.211","0.011","100.515","0.007","2606.6","0.6","293","2","293","2","","","650000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.1329","0.0861","","","0.2027","0.2397","","","","","","1.083","","","","has coordinates","281181","2023-03-01","07:41:36",""
"7131348","11.429","0.005","12.062","0.006","19.312","0.01","106.754","0.018","95.037","0.017","100.632","0.01","2477","2","293","","293","","","","1500000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","","0.71073","MoKα","","0.1424","0.109","","","0.2929","0.3764","","","","","","1.786","","","","has coordinates","281181","2023-03-01","07:41:42",""
"7131349","11.355","0.002","12.014","0.003","19.033","0.013","107.39","0.04","95.26","0.04","100.76","0.02","2403.9","1.9","293","2","293","2","","","2120000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.212","0.14","","","0.3216","0.3679","","","","","","1.242","","","","has coordinates","281181","2023-03-01","07:41:54",""
"7131350","11.29","0.002","11.883","0.003","18.809","0.01","107.49","0.04","95.15","0.03","100.624","0.017","2336.9","1.6","293","","293","","","","3080000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.2142","0.1414","","","0.3201","0.3688","","","","","","1.226","","","","has coordinates","281181","2023-03-01","07:41:59",""
"7131351","11.287","0.003","11.804","0.004","18.747","0.014","107.27","0.05","95.31","0.04","100.58","0.03","2316","2","293","","293","","","","3520000","","","","","5","P -1","-P 1","2","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C116 H116 B2 Dy2 F40 -","2","1","","Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob","Influence of pressure on a dysprosocenium single-molecule magnet.","Chemical communications (Cambridge, England)","2023","59","18","2656","2659","10.1039/d2cc06722f","","x-ray","0.71073","MoKα","","0.2501","0.1524","","","0.3403","0.3967","","","","","","1.188","","","","has coordinates","281181","2023-03-01","07:42:11",""
"7131352","7.14183","0.00012","7.64267","0.00012","20.2119","0.0003","90","","93.1825","0.0015","90","","1101.52","0.03","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Lin, Li; Wang, Mei; Zhou, Jiawei; Li, Fei; Liu, Huiyun","Highly diastereo- and enantioselective C2 addition of 5<i>H</i>-oxazol-4-ones to γ-keto-α,β-unsaturated esters.","Chemical communications (Cambridge, England)","2023","59","24","3606","3609","10.1039/d3cc00554b","","","1.54184","CuKα","","0.0321","0.0309","","","0.0826","0.0841","","","","","","1.045","","","","has coordinates,has disorder","282250","2023-04-04","09:34:34",""
"7131353","5.9","0.0004","19.5951","0.0016","20.0766","0.0017","107.678","0.004","94.661","0.004","94.132","0.004","2192.7","0.3","100","2","100","","","","","","","","","4","P 1","P 1","1","","HBC-3BO","","- C114 H105 B3 O6 -","- C114 H105 B3 O6 -","- C114 H105 B3 O6 -","1","1","","Guo, Jiaxiang; Zhang, Tianyu; Li, Zeyi; Ye, Kaiqi; Wang, Yue; Dou, Chuandong","Distorted B/O-containing nanographenes with tunable optical properties.","Chemical communications (Cambridge, England)","2023","59","18","2644","2647","10.1039/d2cc06376j","","","0.71073","MoKα","","0.1377","0.0992","","","0.2498","0.2725","","","","","","1.0761","","","","has coordinates","281183","2023-03-01","07:45:27",""
"7131354","7.9461","0.0005","11.7904","0.0008","12.9458","0.0008","72.328","0.006","81.715","0.005","77.874","0.006","1125.63","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N1.333 O2.667 -","- C18 H16 N1.33333 O2.66667 -","- C54 H48 N4 O8 -","3","1.5","","Verma, Shalini; Kumar, Manoj; Verma, Akhilesh K.","A unified approach to benzo[<i>c</i>]phenanthridines <i>via</i> the cascade dual-annulation/formylation of 2-alkynyl/alkenylbenzonitriles.","Chemical communications (Cambridge, England)","2023","59","25","3723","3726","10.1039/d3cc00197k","","x-ray","0.71073","MoKα","","0.1762","0.0698","","","0.1361","0.1904","","","","","","1.0276","","","","has coordinates","283055","2023-05-05","00:15:54",""
"7131355","10.4759","0.0003","12.0459","0.0004","23.1083","0.0008","76.271","0.003","78.238","0.003","69.189","0.003","2624.9","0.16","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H83 Mg N3 Na2 Si3 -","- C48 H83 Mg N3 Na2 Si3 -","- C96 H166 Mg2 N6 Na4 Si6 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.; Morrison, Benjamin L.","Cooperative dihydrogen activation at a Na(I)<sub>2</sub>/Mg(I)<sub>2</sub> ensemble.","Chemical communications (Cambridge, England)","2023","59","26","3846","3849","10.1039/d3cc00710c","","x-ray","0.71073","MoKα","","0.07","0.0466","","","0.1096","0.1213","","","","","","1.027","","","","has coordinates,has disorder","282274","2023-04-04","09:51:02",""
"7131356","8.0113","0.0001","13.9038","0.0002","8.5163","0.0002","90","","90.38","0.001","90","","948.59","0.03","213","","213","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C44 H38 N2 O10 -","2","1","","Zhang, Qing-Xia; Xie, Jia-Hao; Gu, Qing; You, Shu-Li","Pd-Catalyzed intermolecular asymmetric allylic dearomatization of 1-nitro-2-naphthols with MBH adducts.","Chemical communications (Cambridge, England)","2023","59","24","3590","3593","10.1039/d3cc00568b","","","1.34139","GaKα","","0.0312","0.0297","","","0.0739","0.0753","","","","","","1.049","","","","has coordinates","282253","2023-04-04","09:35:34",""
"7131357","11.3458","0.0011","22.317","0.002","28.552","0.003","90","","96.561","0.002","90","","7182.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H108 Bi2 Cl9 N3 -","- C48 H108 Bi2 Cl9 N3 -","- C192 H432 Bi8 Cl36 N12 -","4","1","","Hu, Qichuan; Liu, Jing; Yu, Hailong; Xu, Hanqi; Yu, Jinyang; Wu, Wenzhi","Photophysical properties of tetrabutylammonium metal chlorides with different inorganic frameworks.","Chemical communications (Cambridge, England)","2023","59","25","3763","3766","10.1039/d2cc06988a","","","0.71073","MoKα","","0.2127","0.0963","","","0.1305","0.1614","","","","","","1.107","","","","has coordinates","283059","2023-05-05","00:16:41",""
"7131358","18.688","0.008","13.552","0.005","19.24","0.008","90","","101.902","0.009","90","","4768","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Cl8 N2 Sb2 -","- C32 H72 Cl8 N2 Sb2 -","- C128 H288 Cl32 N8 Sb8 -","4","1","","Hu, Qichuan; Liu, Jing; Yu, Hailong; Xu, Hanqi; Yu, Jinyang; Wu, Wenzhi","Photophysical properties of tetrabutylammonium metal chlorides with different inorganic frameworks.","Chemical communications (Cambridge, England)","2023","59","25","3763","3766","10.1039/d2cc06988a","","","0.71073","MoKα","","0.1198","0.0535","","","0.1345","0.1764","","","","","","0.96","","","","has coordinates","283059","2023-05-05","00:16:41",""
"7131359","11.1104","0.0019","12.108","0.002","13.108","0.003","109.091","0.004","105.943","0.004","94.281","0.004","1575.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cl5 N O2 Sn -","- C20 H48 Cl5 N O2 Sn -","- C40 H96 Cl10 N2 O4 Sn2 -","2","1","","Hu, Qichuan; Liu, Jing; Yu, Hailong; Xu, Hanqi; Yu, Jinyang; Wu, Wenzhi","Photophysical properties of tetrabutylammonium metal chlorides with different inorganic frameworks.","Chemical communications (Cambridge, England)","2023","59","25","3763","3766","10.1039/d2cc06988a","","","0.71073","MoKα","","0.1381","0.0705","","","0.1624","0.194","","","","","","1.132","","","","has coordinates","283059","2023-05-05","00:16:41",""
"7131360","11.3662","0.0001","15.8719","0.0001","32.1657","0.0002","90","","90","","90","","5802.79","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H30 Cl11 N5 O Pb3 -","- C8 H30 Cl11 N5 O Pb3 -","- C64 H240 Cl88 N40 O8 Pb24 -","8","1","","Lee, Sujin; Karkee, Rijan; Ben-Akacha, Azza; Luong, Derek; Vellore Winfred, J. S. Raaj; Lin, Xinsong; Strubbe, David A.; Ma, Biwu","One-dimensional organic metal halide nanoribbons with dual emission.","Chemical communications (Cambridge, England)","2023","59","25","3711","3714","10.1039/d3cc00044c","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.0943","0.0956","","","","","","1.143","","","","has coordinates","283058","2023-05-05","00:16:21",""
"7131361","14.9055","0.0007","11.0509","0.0005","14.9065","0.0007","90","","104.625","0.005","90","","2375.8","0.2","299.38","0.17","299.38","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1H-indol-2-yl)-5-methyl-4,5-dihydro-1,3-selenazole","","- C12 H12 N2 Se -","- C12 H12 N2 Se -","- C96 H96 N16 Se8 -","8","2","","Makhal, Priyanka N.; Dannarm, Srinivas Reddy; Shaikh, Arbaz Sujat; Ahmed, Rezwan; Chilvery, Shrilekha; Dayare, Lahu N.; Sonti, Rajesh; Godugu, Chandraiah; Kaki, Venkata Rao","<i>Exo-trig</i> selenocyclization of secondary allylic carboxamides using Woollins' reagent: <i>en route</i> to 2,5-disubstituted selenazolines.","Chemical communications (Cambridge, England)","2023","59","25","3767","3770","10.1039/d2cc06782j","","x-ray","0.71073","MoKα","","0.2186","0.1466","","","0.3745","0.4123","","","","","","1.036","","","","has coordinates","283057","2023-05-05","00:16:11",""
"7131362","11.7433","0.0006","5.9456","0.0003","11.6103","0.0006","90","","90","","90","","810.64","0.07","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Eu3 Ge O S4 -","- Eu3 Ge O S4 -","- Eu12 Ge4 O4 S16 -","4","1","","Yang, Mei; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","The first quaternary rare-earth oxythiogermanate with second-harmonic generation and ferromagnetic behavior.","Chemical communications (Cambridge, England)","2023","59","26","3894","3897","10.1039/d2cc06703j","","","0.71073","MoKα","","0.0143","0.014","","","0.0281","0.0282","","","","","","1.071","","","","has coordinates","282272","2023-04-04","09:49:59",""
"7131363","37.181","0.013","18.194","0.006","24.574","0.009","90","","118.206","0.004","90","","14650","9","175","","175","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H218 Co6 N28 O111 Ta12 -","- C30 H112 Co6 N28 O56 Ta12 -","- C120 H448 Co24 N112 O224 Ta48 -","4","0.5","","Yu, Yong; Lai, Rong-Da; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","Oxalate-assisted assembly of two polyoxotantalate supramolecular frameworks with proton conduction properties.","Chemical communications (Cambridge, England)","2023","59","25","3735","3738","10.1039/d2cc07027h","","","0.71073","MoKα","","0.0824","0.06","","","0.1486","0.1622","","","","","","1.037","","","","has coordinates","283054","2023-05-05","00:15:33",""
"7131364","31.6228","0.0008","31.5888","0.0007","15.5673","0.0003","90","","99.348","0.002","90","","15344.1","0.6","175","","175","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H177 Co8 N26 O98 Ta12 -","- C32 H115 Co8 N27 O66 Ta12 -","- C128 H460 Co32 N108 O264 Ta48 -","4","0.5","","Yu, Yong; Lai, Rong-Da; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","Oxalate-assisted assembly of two polyoxotantalate supramolecular frameworks with proton conduction properties.","Chemical communications (Cambridge, England)","2023","59","25","3735","3738","10.1039/d2cc07027h","","x-ray","0.71073","MoKα","","0.0882","0.0636","","","0.1432","0.1526","","","","","","1.014","","","","has coordinates","283054","2023-05-05","00:15:33",""
"7131365","5.146","0.002","11.099","0.005","20.771","0.008","82.17","0.03","85.54","0.03","88.37","0.03","1171.5","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-(cyclohexylmethyl)-3,5-bis(5-hydroxy-4-(hydroxymethyl)pent-1-yn-1-yl)benzamide","","- C26 H35 N O5 -","- C26 H35 N O5 -","- C52 H70 N2 O10 -","2","1","","Sharma, Rashmi; Vijay, Amal; Chattopadhayay, Sandip; Mukherjee, Arnab; Talukdar, Pinaki","Self-assembled anion channel formation by bis(1,3-propanediol)-linked <i>meta</i>-dipropynylbenzene-based small molecules.","Chemical communications (Cambridge, England)","2023","59","24","3602","3605","10.1039/d2cc05155a","","","1.54178","CuKα","","0.2521","0.139","","","0.3637","0.4229","","","","","","1.341","","","","has coordinates,has disorder","282248","2023-04-04","09:33:50",""
"7131366","10.7386","0.0004","13.7675","0.0005","15.6087","0.0005","90","","90.917","0.003","90","","2307.35","0.14","295.25","0.16","295.25","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","- C96 H112 N16 O8 S8 -","4","1","","He, Yan; Liu, Qimeng; Yang, Jintao; Liu, Yunfei; Zhang, Xinying; Fan, Xuesen","Oxoammonium salt-promoted diverse functionalization of saturated cyclic amines with dinucleophiles.","Chemical communications (Cambridge, England)","2023","59","26","3874","3877","10.1039/d2cc06936a","","x-ray","0.71073","MoKα","","0.073","0.0473","","","0.1072","0.1199","","","","","","1.039","","","","has coordinates","282276","2023-04-04","09:51:50",""
"7131367","16.0994","0.0003","6.0882","0.0001","18.3161","0.0003","90","","91.838","0.002","90","","1794.35","0.05","149.94","0.11","149.94","0.11","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H24 F4 N2 O4 S2 Zn -","- C36 H24 F4 N2 O4 S2 Zn -","- C72 H48 F8 N4 O8 S4 Zn2 -","2","0.5","","Ekka, Akansha; Kurakula, Uma; Choudhury, Aditya; Mishra, Anshumika; Faye, Anshul; Halcovitch, Nathan R.; Medishetty, Raghavender","Light-driven flagella-like motion of coordination compound single crystals.","Chemical communications (Cambridge, England)","2023","59","29","4384","4387","10.1039/d3cc00333g","","x-ray","1.54184","CuKα","","0.0481","0.0441","","","0.1256","0.1293","","","","","","1.074","","","","has coordinates,has disorder","283009","2023-05-04","23:57:07",""
"7131368","7.5792","0.0001","21.8875","0.0003","22.9265","0.0003","115.948","0.002","98.9","0.001","94.735","0.001","3330.02","0.1","99.94","0.13","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 F8 N4 O9 S4 Zn2 -","- C72 H50 F8 N4 O9 S4 Zn2 -","- C144 H100 F16 N8 O18 S8 Zn4 -","2","1","","Ekka, Akansha; Kurakula, Uma; Choudhury, Aditya; Mishra, Anshumika; Faye, Anshul; Halcovitch, Nathan R.; Medishetty, Raghavender","Light-driven flagella-like motion of coordination compound single crystals.","Chemical communications (Cambridge, England)","2023","59","29","4384","4387","10.1039/d3cc00333g","","","1.54184","CuKα","","0.0685","0.0616","","","0.1702","0.1772","","","","","","1.034","","","","has coordinates,has disorder","283009","2023-05-04","23:57:08",""
"7131369","21.7735","0.0004","5.59738","0.00011","15.2888","0.0003","90","","99.1606","0.0017","90","","1839.55","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F2 N O4 S -","- C19 H18 F2 N O4 S -","- C76 H72 F8 N4 O16 S4 -","4","1","","Cui, Xueli; Qu, Jing; Yi, Jianfeng; Sun, Weiqiang; Hu, Jinhui; Guo, Suqin; Jin, Jing-Wei; Chen, Wen-Hua; Wong, Wing-Leung; Wu, Jia-Qiang","Rh(III)-catalyzed redox-neutral C-H alkenylation of benzamides with <i>gem</i>-difluorohomoallylic silyl ethers <i>via</i> β-H elimination.","Chemical communications (Cambridge, England)","2023","59","25","3747","3750","10.1039/d3cc00529a","","","1.54184","CuKα","","0.0663","0.0633","","","0.1563","0.158","","","","","","1.112","","","","has coordinates","283053","2023-05-05","00:14:51",""
"7131370","19.9684","0.0005","9.8282","0.0002","22.2383","0.0005","90","","112.87","0.003","90","","4021.26","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Br2 O -","- C24 H16 Br2 O -","- C192 H128 Br16 O8 -","8","2","","Mao, Yan; Chen, Wenxi; Li, Changchang; Miao, Lin; Lin, Yanfei; Ling, Fei; Chen, Zhangpei; Yao, Jinzhong","Synthesis of 3,4,5-trisubstituted phenols <i>via</i> Rh(III)-catalyzed alkenyl C-H activation assisted by phosphonium cations.","Chemical communications (Cambridge, England)","2023","59","25","3775","3778","10.1039/d3cc00017f","","","1.54178","CuKα","","0.0632","0.0482","","","0.1262","0.1381","","","","","","1.046","","","","has coordinates","283056","2023-05-05","00:16:03",""
"7131371","6.404","0.001","30.891","0.001","13.379","0.001","90","","96.9","0.01","90","","2627.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F N3 O6 -","- C29 H28 F N3 O6 -","- C116 H112 F4 N12 O24 -","4","1","","Rout, Smruti Rekha; Kenguva, Gowtham; Giri, Lopamudra; Kar, Ananya; Dandela, Rambabu","Binary to ternary drug-drug molecular adducts of the antihypertensive drug ketanserin (KTS) with advanced physicochemical properties.","Chemical communications (Cambridge, England)","2023","59","31","4640","4643","10.1039/d2cc06666a","","","0.71073","MoKα","","0.0628","0.0476","","","0.1093","0.1182","","","","","","1.041","","","","has coordinates","283090","2023-05-05","00:25:21",""
"7131372","6.37","0.001","30.874","0.001","13.252","0.001","90","","97.03","0.01","90","","2586.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 F N3 O6 -","- C29 H30 F N3 O6 -","- C116 H120 F4 N12 O24 -","4","1","","Rout, Smruti Rekha; Kenguva, Gowtham; Giri, Lopamudra; Kar, Ananya; Dandela, Rambabu","Binary to ternary drug-drug molecular adducts of the antihypertensive drug ketanserin (KTS) with advanced physicochemical properties.","Chemical communications (Cambridge, England)","2023","59","31","4640","4643","10.1039/d2cc06666a","","","0.71073","MoKα","","0.0387","0.0353","","","0.0869","0.0891","","","","","","1.088","","","","has coordinates","283090","2023-05-05","00:25:21",""
"7131373","6.905","0.002","12.968","0.005","39.979","0.001","90","","90.23","0.01","90","","3579.9","1.7","284","2","284","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 F N6 O7 -","- C41 H37 F N6 O7 -","- C164 H148 F4 N24 O28 -","4","1","","Rout, Smruti Rekha; Kenguva, Gowtham; Giri, Lopamudra; Kar, Ananya; Dandela, Rambabu","Binary to ternary drug-drug molecular adducts of the antihypertensive drug ketanserin (KTS) with advanced physicochemical properties.","Chemical communications (Cambridge, England)","2023","59","31","4640","4643","10.1039/d2cc06666a","","","0.71073","MoKα","","0.0706","0.0512","","","0.1543","0.1712","","","","","","1.038","","","","has coordinates","283090","2023-05-05","00:25:21",""
"7131374","33.14","0.02","7.242","0.004","17.419","0.009","90","","95.27","0.01","90","","4163","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 Cl F N3 O3 -","- C22 H23 Cl F N3 O3 -","- C176 H184 Cl8 F8 N24 O24 -","8","1","","Rout, Smruti Rekha; Kenguva, Gowtham; Giri, Lopamudra; Kar, Ananya; Dandela, Rambabu","Binary to ternary drug-drug molecular adducts of the antihypertensive drug ketanserin (KTS) with advanced physicochemical properties.","Chemical communications (Cambridge, England)","2023","59","31","4640","4643","10.1039/d2cc06666a","","","0.71073","MoKα","","0.0655","0.0469","","","0.148","0.1691","","","","","","1.173","","","","has coordinates","283090","2023-05-05","00:25:21",""
"7131375","13.655","0.004","7.143","0.002","65.616","0.001","90","","90.38","0.01","90","","6400","3","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C36 H34 F N3 O11 -","- C36 H34 F N3 O11 -","- C288 H272 F8 N24 O88 -","8","2","","Rout, Smruti Rekha; Kenguva, Gowtham; Giri, Lopamudra; Kar, Ananya; Dandela, Rambabu","Binary to ternary drug-drug molecular adducts of the antihypertensive drug ketanserin (KTS) with advanced physicochemical properties.","Chemical communications (Cambridge, England)","2023","59","31","4640","4643","10.1039/d2cc06666a","","","0.71073","MoKα","","0.056","0.0469","","","0.1133","0.1183","","","","","","1.038","","","","has coordinates","283090","2023-05-05","00:25:21",""
"7131376","7.1056","0.0008","16.1016","0.0018","14.6696","0.0016","90","","98.136","0.001","90","","1661.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Yoshino, Haruka; Saigo, Masaki; Miyata, Kiyoshi; Onda, Ken; Pirillo, Jenny; Hijikata, Yuh; Kosaka, Wataru; Miyasaka, Hitoshi","Unprecedented highly efficient photoluminescence in a phosphorescent Ag(I) coordination polymer.","Chemical communications (Cambridge, England)","2023","59","31","4616","4619","10.1039/d3cc00179b","","","0.71073","MoKα","","0.0157","0.0145","","","0.034","0.0345","","","","","","1.031","","","","has coordinates","283091","2023-05-05","00:25:37",""
"7131377","7.1237","0.0009","16.274","0.002","14.6035","0.0018","90","","97.989","0.001","90","","1676.6","0.4","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Yoshino, Haruka; Saigo, Masaki; Miyata, Kiyoshi; Onda, Ken; Pirillo, Jenny; Hijikata, Yuh; Kosaka, Wataru; Miyasaka, Hitoshi","Unprecedented highly efficient photoluminescence in a phosphorescent Ag(I) coordination polymer.","Chemical communications (Cambridge, England)","2023","59","31","4616","4619","10.1039/d3cc00179b","","","0.71073","MoKα","","0.0213","0.0198","","","0.0472","0.0481","","","","","","1.141","","","","has coordinates","283091","2023-05-05","00:25:37",""
"7131378","7.1111","0.0007","16.13","0.0015","14.6487","0.0013","90","","98.085","0.001","90","","1663.5","0.3","140","","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Yoshino, Haruka; Saigo, Masaki; Miyata, Kiyoshi; Onda, Ken; Pirillo, Jenny; Hijikata, Yuh; Kosaka, Wataru; Miyasaka, Hitoshi","Unprecedented highly efficient photoluminescence in a phosphorescent Ag(I) coordination polymer.","Chemical communications (Cambridge, England)","2023","59","31","4616","4619","10.1039/d3cc00179b","","","0.71073","MoKα","","0.0151","0.0142","","","0.0329","0.0333","","","","","","1.058","","","","has coordinates","283091","2023-05-05","00:25:37",""
"7131379","7.1145","0.0007","16.1659","0.0016","14.6332","0.0015","90","","98.068","0.001","90","","1666.3","0.3","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Yoshino, Haruka; Saigo, Masaki; Miyata, Kiyoshi; Onda, Ken; Pirillo, Jenny; Hijikata, Yuh; Kosaka, Wataru; Miyasaka, Hitoshi","Unprecedented highly efficient photoluminescence in a phosphorescent Ag(I) coordination polymer.","Chemical communications (Cambridge, England)","2023","59","31","4616","4619","10.1039/d3cc00179b","","","0.71073","MoKα","","0.0271","0.0254","","","0.059","0.06","","","","","","1.037","","","","has coordinates","283091","2023-05-05","00:25:37",""
"7131380","7.118","0.0007","16.1995","0.0017","14.6181","0.0015","90","","98.03","0.001","90","","1669.1","0.3","220","","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Yoshino, Haruka; Saigo, Masaki; Miyata, Kiyoshi; Onda, Ken; Pirillo, Jenny; Hijikata, Yuh; Kosaka, Wataru; Miyasaka, Hitoshi","Unprecedented highly efficient photoluminescence in a phosphorescent Ag(I) coordination polymer.","Chemical communications (Cambridge, England)","2023","59","31","4616","4619","10.1039/d3cc00179b","","","0.71073","MoKα","","0.0223","0.0206","","","0.0492","0.05","","","","","","1.12","","","","has coordinates","283091","2023-05-05","00:25:37",""
"7131381","7.1211","0.0006","16.2349","0.0013","14.6055","0.0012","90","","97.987","0.001","90","","1672.2","0.2","260","","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Yoshino, Haruka; Saigo, Masaki; Miyata, Kiyoshi; Onda, Ken; Pirillo, Jenny; Hijikata, Yuh; Kosaka, Wataru; Miyasaka, Hitoshi","Unprecedented highly efficient photoluminescence in a phosphorescent Ag(I) coordination polymer.","Chemical communications (Cambridge, England)","2023","59","31","4616","4619","10.1039/d3cc00179b","","","0.71073","MoKα","","0.0214","0.0199","","","0.0475","0.0485","","","","","","1.143","","","","has coordinates","283091","2023-05-05","00:25:37",""
"7131382","15.3512","0.0008","5.4506","0.0003","23.7358","0.0013","90","","96.167","0.003","90","","1974.56","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit","Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.","Chemical communications (Cambridge, England)","2023","59","26","3902","3905","10.1039/d2cc06860e","","","0.71073","MoKα","","0.0627","0.0538","","","0.1458","0.1579","","","","","","1.044","","","","has coordinates","282275","2023-04-04","09:51:35",""
"7131383","8.4203","0.0004","21.4155","0.0008","11.6437","0.0005","90","","98.67","0.002","90","","2075.66","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit","Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.","Chemical communications (Cambridge, England)","2023","59","26","3902","3905","10.1039/d2cc06860e","","","0.71073","MoKα","","0.0512","0.0406","","","0.1093","0.1177","","","","","","1.09","","","","has coordinates","282275","2023-04-04","09:51:35",""
"7131384","21.0388","0.0002","5.2261","0.0001","26.343","0.0004","90","","102.12","0.001","90","","2831.87","0.07","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Carbamazapine-34dihydroxybenzoic acid hydrate cocrystal","","- C16.75 H14.25 N2 O2.5 -","- C16.75 H14.25 N2 O2.5 -","- C134 H114 N16 O20 -","8","1","","Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit","Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.","Chemical communications (Cambridge, England)","2023","59","26","3902","3905","10.1039/d2cc06860e","","","1.54184","CuKα","","0.048","0.045","","","0.1112","0.1132","","","","","","1.069","","","","has coordinates,has disorder","282275","2023-04-04","09:51:35",""
"7131385","21.29468","0.00018","5.12107","0.00005","26.6635","0.0002","90","","103.546","0.0009","90","","2826.81","0.04","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Carbamazapine-35dihydroxybenzoic acid hydrate cocrystal","","- C8.2 H7.1 N O1.3 -","- C8.2 H7.1 N O1.3 -","- C131.2 H113.6 N16 O20.8 -","16","2","","Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit","Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.","Chemical communications (Cambridge, England)","2023","59","26","3902","3905","10.1039/d2cc06860e","","","1.54184","CuKα","","0.0495","0.0471","","","0.1299","0.1324","","","","","","1.091","","","","has coordinates,has disorder","282275","2023-04-04","09:51:35",""
"7131386","13.9284","0.0002","12.5175","0.0002","7.65","0.0001","90","","90","","90","","1333.77","0.03","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ba4 Ni3 F15 H2 O","","","- Ba4 F14 H2 Ni3 O -","- Ba4 F14 H2 Ni3 O -","- Ba16 F56 H8 Ni12 O4 -","4","0.5","","Wang, Yanqi; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Ba<sub>4</sub>Ni<sub>3</sub>F<sub>14</sub>·H<sub>2</sub>O: a ferrimagnetic compound with a staircase kagomé lattice.","Chemical communications (Cambridge, England)","2023","59","26","3870","3873","10.1039/d2cc06906g","","","0.71073","MoKα","","0.0257","0.0248","","","0.0589","0.0593","","","","","","1.37","","","","has coordinates","282273","2023-04-04","09:50:36",""
"7131387","14.4385","0.0006","28.0905","0.001","28.302","0.0011","90","","104.453","0.002","90","","11115.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60.5 H40 Cl F6 N9 -","- C60.5 H40 Cl F6 N9 -","- C484 H320 Cl8 F48 N72 -","8","1","","Obijalska, Emilia; Pietrzak, Anna; Constantinides, Christos P.; Sommer, Roger D.; Kaszyński, Piotr","""Super stable"" Blatter radicals through ArLi addition: surprising chemistry of 7-(trifluoromethyl)benzo[<i>e</i>][1,2,4]triazine.","Chemical communications (Cambridge, England)","2023","59","27","4008","4011","10.1039/d3cc00832k","","","0.71073","MoKα","","0.1046","0.0887","","","0.2252","0.2388","","","","","","1.068","","","","has coordinates,has disorder","283017","2023-05-05","00:01:17",""
"7131388","9.2476","0.0006","10.8175","0.0008","18.2214","0.001","101.258","0.005","93.429","0.005","112.966","0.007","1627.2","0.2","104","0.4","104","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 F3 N6 -","- C40 H26 F3 N6 -","- C80 H52 F6 N12 -","2","1","","Obijalska, Emilia; Pietrzak, Anna; Constantinides, Christos P.; Sommer, Roger D.; Kaszyński, Piotr","""Super stable"" Blatter radicals through ArLi addition: surprising chemistry of 7-(trifluoromethyl)benzo[<i>e</i>][1,2,4]triazine.","Chemical communications (Cambridge, England)","2023","59","27","4008","4011","10.1039/d3cc00832k","","","1.54184","CuKα","","0.1842","0.1384","","","0.3917","0.4354","","","","","","1.093","","","","has coordinates,has disorder","283017","2023-05-05","00:01:18",""
"7131389","16.6782","0.0006","8.0492","0.0003","14.5029","0.0005","90","","90","","90","","1946.96","0.12","170","","170","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Zhou, Haipin; Pan, Rui; Xu, Menghua; Ma, Jiao; Lin, Aijun; Yao, Hequan","Construction of oxygenated 2-azabicyclo[2.2.1]heptanes <i>via</i> palladium-catalyzed 1,2-aminoacyloxylation of cyclopentenes.","Chemical communications (Cambridge, England)","2023","59","24","3574","3577","10.1039/d2cc06581a","","","0.71073","MoKα","","0.0487","0.0355","","","0.0737","0.0818","","","","","","1.088","","","","has coordinates","282249","2023-04-04","09:34:25",""
"7131390","18.742","0.002","5.2346","0.0005","14.0627","0.0014","90","","105.787","0.003","90","","1327.6","0.2","102","2","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","1","","Ghosh, Saurajit; Bhambri, Himanshi; Singh, Ajeet Kumar; Mandal, Sanjay K.; Roy, Lisa; Addy, Partha Sarathi","A convenient route to a vinylogous dicyano aryl based AIEgen with switchable mechanochromic luminescence properties.","Chemical communications (Cambridge, England)","2023","59","30","4463","4466","10.1039/d3cc00057e","","","1.54178","CuKα","","0.0337","0.0274","","","0.0526","0.0535","","","","","","1.1234","","","","has coordinates","283086","2023-05-05","00:23:54",""
"7131391","9.954","0.0015","27.051","0.004","7.6877","0.0012","90","","95.868","0.006","90","","2059.2","0.5","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24.25 H19 N4 O1.25 -","- C24.25 H19 N4 O1.25 -","- C97 H76 N16 O5 -","4","1","","Ghosh, Saurajit; Bhambri, Himanshi; Singh, Ajeet Kumar; Mandal, Sanjay K.; Roy, Lisa; Addy, Partha Sarathi","A convenient route to a vinylogous dicyano aryl based AIEgen with switchable mechanochromic luminescence properties.","Chemical communications (Cambridge, England)","2023","59","30","4463","4466","10.1039/d3cc00057e","","","1.54178","CuKα","","0.0576","0.0532","","","0.1416","0.1483","","","","","","1.069","","","","has coordinates,has disorder","283086","2023-05-05","00:23:54",""
"7131392","23.5301","0.0003","23.5301","0.0003","5.98071","0.00011","90","","90","","90","","3311.31","0.09","100","","100","","","","","","","","","3","P 42 n m","P 4n -2n","102","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C132 H216 O24 -","12","1.5","","Bakanas, Ian; Tang, Jess C.; Sarpong, Richmond","Skeletal diversification by C-C cleavage to access bicyclic frameworks from a common tricyclooctane intermediate.","Chemical communications (Cambridge, England)","2023","59","26","3858","3861","10.1039/d3cc00945a","","x-ray","1.54184","CuKα","","0.0646","0.0596","","","0.1668","0.1723","","","","","","1.087","","","","has coordinates,has disorder","282271","2023-04-04","09:49:39",""
"7131393","6.6911","0.0001","19.8327","0.0003","8.7115","0.0001","90","","99.316","0.001","90","","1140.79","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C44 H52 Br4 O8 -","4","1","","Bakanas, Ian; Tang, Jess C.; Sarpong, Richmond","Skeletal diversification by C-C cleavage to access bicyclic frameworks from a common tricyclooctane intermediate.","Chemical communications (Cambridge, England)","2023","59","26","3858","3861","10.1039/d3cc00945a","","x-ray","1.54184","CuKα","","0.0297","0.0294","","","0.0805","0.0807","","","","","","1.087","","","","has coordinates","282271","2023-04-04","09:49:39",""
"7131394","10.43","0.004","7.357","0.003","19.066","0.007","90","","92.473","0.005","90","","1461.6","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","","Hao, Meng-Ying; Zhang, Yin; Lin, Na; Fu, Rong; Ji, Xiao-Shuang; Jiang, Bo; Tu, Shu-Jiang; Hao, Wen-Juan","Gold self-relay catalysis enabling annulative oxygenation of propargylic alcohols with O-nucleophiles.","Chemical communications (Cambridge, England)","2023","59","27","4032","4035","10.1039/d3cc00089c","","","0.71073","MoKα","","0.0503","0.0431","","","0.127","0.1399","","","","","","1.076","","","","has coordinates","282264","2023-04-04","09:40:57",""
"7131395","13.0159","0.0003","15.5134","0.0004","27.2898","0.0008","89.942","0.002","86.298","0.002","76.288","0.002","5341.6","0.2","99.99","0.1","100","","","","","","","","","8","P 1","P 1","1","","","","- C79 H140 Bi10 Ga K3 N6 Nb2 O18 -","- C75.5 H136 Bi10 Ga K3 N6 Nb2 O18 -","- C151 H272 Bi20 Ga2 K6 N12 Nb4 O36 -","2","2","","Qiao, Lei; Yang, Tao; Frenking, Gernot; Sun, Zhong-Ming","[Ga@Bi<sub>10</sub>(NbMes)<sub>2</sub>]<sup>3-</sup>: a linear Nb-Ga<sup>I</sup>-Nb filament coordinated by a bismuth cage.","Chemical communications (Cambridge, England)","2023","59","27","4024","4027","10.1039/d3cc00631j","","","1.54184","CuKα","","0.0618","0.0516","","","0.1172","0.1236","","","","","","1.026","","","","has coordinates,has disorder","282262","2023-04-04","09:39:54",""
"7131396","14.9659","0.0016","17.1787","0.0018","18.703","0.002","90","","90","","90","","4808.4","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O2 Pt -","- C30 H20 N2 O2 Pt -","- C240 H160 N16 O16 Pt8 -","8","2","","Tauchi, Daiki; Koida, Taiki; Nojima, Yuki; Hasegawa, Masahi; Mazaki, Yasuhiro; Inagaki, Akiko; Sugiura, Ken-Ichi; Nagaya, Yuki; Tsubaki, Kazunori; Shiga, Takuya; Nagata, Yuuya; Nishikawa, Hiroyuki","Aggregation-induced circularly polarized phosphorescence of Pt(II) complexes with an axially chiral BINOL ligand.","Chemical communications (Cambridge, England)","2023","59","27","4004","4007","10.1039/d2cc06198h","","","0.71073","MoKα","","0.0319","0.0283","","","0.0595","0.0617","","","","","","1.305","","","","has coordinates","282263","2023-04-04","09:40:16",""
"7131397","14.959","0.002","17.171","0.003","18.707","0.003","90","","90","","90","","4805.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O2 Pt -","- C30 H20 N2 O2 Pt -","- C240 H160 N16 O16 Pt8 -","8","2","","Tauchi, Daiki; Koida, Taiki; Nojima, Yuki; Hasegawa, Masahi; Mazaki, Yasuhiro; Inagaki, Akiko; Sugiura, Ken-Ichi; Nagaya, Yuki; Tsubaki, Kazunori; Shiga, Takuya; Nagata, Yuuya; Nishikawa, Hiroyuki","Aggregation-induced circularly polarized phosphorescence of Pt(II) complexes with an axially chiral BINOL ligand.","Chemical communications (Cambridge, England)","2023","59","27","4004","4007","10.1039/d2cc06198h","","","0.71073","MoKα","","0.0391","0.0313","","","0.0621","0.0665","","","","","","1.143","","","","has coordinates","282263","2023-04-04","09:40:17",""
"7131398","21.071","0.0004","23.6777","0.0004","24.05","0.0005","90","","98.0673","0.0012","90","","11880.1","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114.75 H74 F52 N6 Na O7.5 Tc -","- C114.75 H74 F52 N6 Na O7.5 Tc -","- C459 H296 F208 N24 Na4 O30 Tc4 -","4","1","","Salsi, Federico; Hagenbach, Adelheid; Figueroa, Joshua S.; Abram, Ulrich","Na[Tc(CO)(CN<i>p</i>-F-Ar<sup>DArF2</sup>)<sub>4</sub>]: an isocyanide analogue of the elusive Na[Tc(CO)<sub>5</sub>].","Chemical communications (Cambridge, England)","2023","59","27","4028","4031","10.1039/d3cc00946g","","x-ray","1.54178","CuKα","K-L~2,3~","0.1133","0.0883","","","0.2425","0.2647","","","","","","1.022","","","","has coordinates,has disorder","282267","2023-04-04","09:48:10",""
"7131399","14.324","0.01","15.26","0.009","21.51","0.014","84.718","0.019","86.25","0.02","73.327","0.019","4481","5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H32 F52 N4 O Tc -","- C93 H32 F52 N4 O Tc -","- C186 H64 F104 N8 O2 Tc2 -","2","1","","Salsi, Federico; Hagenbach, Adelheid; Figueroa, Joshua S.; Abram, Ulrich","Na[Tc(CO)(CN<i>p</i>-F-Ar<sup>DArF2</sup>)<sub>4</sub>]: an isocyanide analogue of the elusive Na[Tc(CO)<sub>5</sub>].","Chemical communications (Cambridge, England)","2023","59","27","4028","4031","10.1039/d3cc00946g","","x-ray","0.71073","MoKα","K-L~2,3~","0.0997","0.0807","","","0.1893","0.2007","","","","","","1.085","","","","has coordinates,has disorder","282267","2023-04-04","09:48:10",""
"7131400","14.727","0.005","15.583","0.009","50.04","0.03","94.762","0.007","96.185","0.01","94.402","0.012","11335","10","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C105 H53 F52 N4 O1.5 Sn Tc -","- C105 H53 F52 N4 O1.5 Sn Tc -","- C420 H212 F208 N16 O6 Sn4 Tc4 -","4","2","","Salsi, Federico; Hagenbach, Adelheid; Figueroa, Joshua S.; Abram, Ulrich","Na[Tc(CO)(CN<i>p</i>-F-Ar<sup>DArF2</sup>)<sub>4</sub>]: an isocyanide analogue of the elusive Na[Tc(CO)<sub>5</sub>].","Chemical communications (Cambridge, England)","2023","59","27","4028","4031","10.1039/d3cc00946g","","","0.71073","MoKα","","0.1403","0.1","","","0.2248","0.245","","","","","","1.05","","","","has coordinates,has disorder","282267","2023-04-04","09:48:10",""
"7131401","14.4122","0.0014","12.1358","0.0012","5.6687","0.0006","90","","90","","90","","991.48","0.17","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H6 N8 O6 -","- C5 H6 N8 O6 -","- C20 H24 N32 O24 -","4","1","","Yadav, Abhishek Kumar; Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas","High-performing, insensitive and thermally stable energetic materials from zwitterionic <i>gem</i>-dinitromethyl substituted C-C bonded 1,2,4-triazole and 1,3,4-oxadiazole.","Chemical communications (Cambridge, England)","2023","59","29","4324","4327","10.1039/d3cc00615h","","","0.71073","MoKα","","0.0843","0.0548","","","0.099","0.1085","","","","","","1.118","","","","has coordinates","283010","2023-05-04","23:57:16",""
"7131402","9.5059","0.0004","10.6245","0.0004","24.3428","0.0016","90","","100.388","0.005","90","","2418.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Br N O3 -","- C30 H22 Br N O3 -","- C120 H88 Br4 N4 O12 -","4","1","","Liu, Xiang; Shi, Xiaotian; Zhou, Jinlei; Huang, Changfeng; Lin, Yu; Zhang, Chen; Cao, Hua","Dearomative cyclization of pyridines/isoquinolines with cyclopropenones: access to indolizinones and benzo-fused indolizinones.","Chemical communications (Cambridge, England)","2023","59","27","4051","4054","10.1039/d3cc00492a","","x-ray","1.54184","CuKα","","0.1331","0.1253","","","0.2837","0.2876","","","","","","1.165","","","","has coordinates,has disorder","282261","2023-04-04","09:39:41",""
"7131403","13.1837","0.0003","20.2111","0.0005","26.5287","0.0007","90","","98.736","0.002","90","","6986.8","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H68 Cl9 N2 O3 Os P3 -","- C72.501 H68.002 Cl9.002 N2 O3 Os P3 -","- C290.004 H272.008 Cl36.008 N8 O12 Os4 P12 -","4","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","","1.54178","CuKα","","0.0767","0.0661","","","0.1461","0.151","","","","","","1.198","","","","has coordinates,has disorder","283015","2023-05-05","00:00:02",""
"7131404","11.7175","0.0007","13.7798","0.0008","21.3973","0.0009","98.994","0.002","98.356","0.002","94.226","0.004","3359.7","0.3","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H56 Cl4 F13 N2 O Os P3 Sb2 -","- C68 H56 Cl4 F13 N2 O Os P3 Sb2 -","- C136 H112 Cl8 F26 N4 O2 Os2 P6 Sb4 -","2","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","x-ray","1.54178","CuKα","","0.0242","0.023","","","0.0524","0.0531","","","","","","1.062","","","","has coordinates","283015","2023-05-05","00:00:02",""
"7131405","13.0268","0.0007","20.4321","0.0011","26.2852","0.0012","90","","97.885","0.003","90","","6930.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H65 Cl8 F N2 O3 Os P3 -","- C72 H66 Cl8 F N2 O3 Os P3 -","- C288 H264 Cl32 F4 N8 O12 Os4 P12 -","4","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","x-ray","1.54178","CuKα","","0.0583","0.0429","","","0.108","0.1161","","","","","","1.031","","","","has coordinates","283015","2023-05-05","00:00:02",""
"7131406","12.8076","0.0005","20.476","0.0008","26.9271","0.001","90","","97.668","0.002","90","","6998.4","0.5","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H69 Cl8 N2 O4 Os P3 -","- C73 H69 Cl8 N2 O4 Os P3 -","- C292 H276 Cl32 N8 O16 Os4 P12 -","4","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","x-ray","1.54178","CuKα","","0.0228","0.0209","","","0.0484","0.049","","","","","","1.027","","","","has coordinates","283015","2023-05-05","00:00:02",""
"7131407","11.9962","0.0003","20.0596","0.0005","26.3587","0.0006","90","","98.018","0.001","90","","6280.9","0.3","100","0.2","100","0.2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H55 F12 N2 O2 Os P3 Sb2 -","- C67 H55 F12 N2 O2 Os P3 Sb2 -","- C268 H220 F48 N8 O8 Os4 P12 Sb8 -","4","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","x-ray","1.54178","CuKα","","0.0528","0.0443","","","0.1065","0.1113","","","","","","1.077","","","","has coordinates","283015","2023-05-05","00:00:02",""
"7131408","11.6995","0.0009","21.8835","0.0015","25.5349","0.0019","104.879","0.004","91.321","0.004","95.31","0.004","6283.8","0.8","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C133 H108 Cl2 F24 N4 O2 Os2 P6 Sb4 -","- C133 H108 Cl2 F24 N4 O2 Os2 P6 Sb4 -","- C266 H216 Cl4 F48 N8 O4 Os4 P12 Sb8 -","2","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","","1.54178","CuKα","","0.0749","0.0539","","","0.1341","0.1448","","","","","","1.056","","","","has coordinates,has disorder","283015","2023-05-05","00:00:02",""
"7131409","12.9751","0.0011","20.5087","0.0017","26.253","0.002","90","","100.951","0.003","90","","6858.8","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H69 Cl8 N2 O3 Os P3 -","- C73 H69 Cl8 N2 O3 Os P3 -","- C292 H276 Cl32 N8 O12 Os4 P12 -","4","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","","1.54178","CuKα","","0.0327","0.0313","","","0.0841","0.0882","","","","","","1.082","","","","has coordinates","283015","2023-05-05","00:00:02",""
"7131410","11.1145","0.0005","13.6851","0.0006","23.2566","0.001","81.356","0.002","78.117","0.002","84.437","0.002","3414.3","0.3","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C69 H59 Cl4 F12 N2 O Os P3 Sb2 -","- C69 H59 Cl4 F12 N2 O Os P3 Sb2 -","- C138 H118 Cl8 F24 N4 O2 Os2 P6 Sb4 -","2","1","","Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping","Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.","Chemical communications (Cambridge, England)","2023","59","28","4173","4176","10.1039/d3cc00029j","","","1.34139","GaKα","","0.0411","0.0368","","","0.0899","0.0958","","","","","","1.133","","","","has coordinates,has disorder","283015","2023-05-05","00:00:02",""
"7131411","11.9016","0.0005","9.6956","0.0005","21.935","0.0011","90","","90","","90","","2531.1","0.2","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 I O3 S -","- C11 H15 I O3 S -","- C88 H120 I8 O24 S8 -","8","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0485","0.027","","","0.0495","0.0581","","","","","","1.071","","","","has coordinates","283011","2023-05-04","23:58:25",""
"7131412","15.8103","0.0013","23.9497","0.0019","5.7108","0.0005","90","","90","","90","","2162.4","0.3","110","","110","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H17 Cl6 I O4 S -","- C13 H17 Cl6 I O4 S -","- C52 H68 Cl24 I4 O16 S4 -","4","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0692","0.0625","","","0.129","0.1314","","","","","","1.279","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131413","5.647","0.002","10.259","0.003","24.055","0.001","90","","90","","90","","1393.6","0.6","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 B F4 I O3 S -","- C10 H14 B F4 I O3 S -","- C40 H56 B4 F16 I4 O12 S4 -","4","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0577","0.0537","","","0.1145","0.1195","","","","","","1.246","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131414","5.7361","0.0002","16.5918","0.0007","17.3437","0.0007","90","","90","","90","","1650.64","0.11","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl I O8 S -","- C11 H16 Cl I O8 S -","- C44 H64 Cl4 I4 O32 S4 -","4","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0486","0.0443","","","0.1198","0.1224","","","","","","0.944","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131415","33.08","0.003","9.999","0.0009","20.9926","0.0019","90","","121.842","0.001","90","","5898.7","0.9","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cl I2 O11.5 S2 -","- C22 H30 Cl I2 O11.5012 S2 -","- C176 H240 Cl8 I16 O92.0096 S16 -","8","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0558","0.0344","","","0.051","0.0561","","","","","","1.102","","","","has coordinates,has disorder","283011","2023-05-04","23:58:26",""
"7131416","13.6039","0.0007","14.7431","0.0008","23.6714","0.0008","84.158","0.004","73.474","0.004","68.652","0.005","4239.2","0.4","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl2 I O5 S -","- C12 H17 Cl2 I O5 S -","- C120 H170 Cl20 I10 O50 S10 -","10","5","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.112","0.0624","","","0.1132","0.1338","","","","","","1.0381","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131417","14.6472","0.0005","18.5664","0.0006","11.5099","0.0003","90","","104.761","0.001","90","","3026.77","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Molybdenum bis(benzoylmethanate) dichloride pyridine","","- C35 H27 Cl2 Mo N O4 -","- C35 H27 Cl2 Mo N O4 -","- C140 H108 Cl8 Mo4 N4 O16 -","4","1","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","0.71073","MoKα","","0.0279","0.0224","","","0.05","0.0542","","","","","","1.046","","","","has coordinates","283095","2023-05-05","00:26:44",""
"7131418","7.2362","0.0005","7.3583","0.0005","7.9687","0.0006","92.355","0.003","112.501","0.003","118.207","0.003","332.36","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","Molybdenum bis(acetylacetonate) dichloride","","- C10 H14 Cl2 Mo O4 -","- C10 H14 Cl2 Mo O4 -","- C10 H14 Cl2 Mo O4 -","1","0.5","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","0.71073","MoKα","","0.0224","0.022","","","0.053","0.0532","","","","","","1.195","","","","has coordinates","283095","2023-05-05","00:26:44",""
"7131419","8.2697","0.0003","12.9257","0.0005","19.5683","0.0006","90","","99.611","0.003","90","","2062.33","0.13","100.01","","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","molybdenum-bis(acac)-bis(triflate)","","- C12 H14 F6 Mo O10 S2 -","- C12 H14 F6 Mo O10 S2 -","- C48 H56 F24 Mo4 O40 S8 -","4","1","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","1.54184","CuKα","","0.0396","0.0382","","","0.0991","0.1","","","","","","1.065","","","","has coordinates","283095","2023-05-05","00:26:44",""
"7131420","10.9632","0.0005","18.9755","0.0007","13.6819","0.0006","90","","92.743","0.002","90","","2843","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Molybdenum bis(dipivaloylmethanate) dichloride","","- C24 H41 Cl2 Mo N O4 -","- C24 H41 Cl2 Mo N O4 -","- C96 H164 Cl8 Mo4 N4 O16 -","4","1","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","0.71073","MoKα","","0.0825","0.0626","","","0.1231","0.1377","","","","","","1.191","","","","has coordinates","283095","2023-05-05","00:26:44",""
"7131421","10.835","0.003","16.573","0.004","18.382","0.005","90","","96.369","0.004","90","","3280.5","1.5","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Molybdenum bis(pivaloylmethanate) bis(triflate)","","- C24 H38 F6 Mo O10 S2 -","- C24 H38 F6 Mo O10 S2 -","- C96 H152 F24 Mo4 O40 S8 -","4","0.5","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","0.71073","MoKα","","0.0605","0.0496","","","0.1141","0.1206","","","","","","1.096","","","","has coordinates","283095","2023-05-05","00:26:44",""
"7131422","19.0456","0.0002","17.8906","0.0001","17.0806","0.0001","90","","90","","90","","5820","0.08","100","0.1","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","molybdenum oxo bis(dipivaloylmethanate) triflate","","- C23 H38 F3 Mo O8 S -","- C23 H38 F3 Mo O8 S -","- C184 H304 F24 Mo8 O64 S8 -","8","2","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","1.54184","CuKα","","0.0314","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates,has disorder","283095","2023-05-05","00:26:44",""
"7131423","14.0286","0.0003","10.8221","0.0002","7.36612","0.00015","90","","102.292","0.002","90","","1092.68","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl F3 N O -","- C11 H9 Cl F3 N O -","- C44 H36 Cl4 F12 N4 O4 -","4","1","","Mahanty, Kingshuk; Saha, Suman Kumar; Halder, Atreyee; De Sarkar, Suman","Mediator-free electrochemical trifluoromethylation: a cascade approach for the synthesis of trifluoromethylated isoxazolines.","Chemical communications (Cambridge, England)","2023","59","30","4467","4470","10.1039/d3cc00231d","","x-ray","1.54184","CuKα","","0.0399","0.0385","","","0.1038","0.1049","","","","","","1.043","","","","has coordinates","283085","2023-05-05","00:23:39",""
"7131424","7.915","0.0016","13.333","0.003","8.8132","0.0018","90","","90","","90","","930.1","0.3","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","Cu-ZIF-sql","di-(2-formylimidazolate)copper(II)","","- C8 H6 Cu N4 O2 -","- C8 H6 Cu N4 O2 -","- C32 H24 Cu4 N16 O8 -","4","0.5","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.0823","0.0763","","","0.2348","0.2484","","","","","","1.158","","","","has coordinates","282270","2023-04-04","09:49:17",""
"7131425","23.439","0.003","23.439","0.003","7.704","0.0015","90","","90","","90","","4232.5","1.1","298","2","298","2","","","","","","","","5","I 41 m d","I 4bw -2","109","Cu-ZIF-gis","di(2-nitroimidazolate)copper(II)","","- C6 H4 Cu N6 O4 -","- C6 H4 Cu N6 O4 -","- C96 H64 Cu16 N96 O64 -","16","1","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.0206","0.0202","","","0.0579","0.0581","","","","","","1.055","","","","has coordinates","282270","2023-04-04","09:49:17",""
"7131426","23.392","0.003","23.392","0.003","7.693","0.0015","90","","90","","90","","4209.5","1.1","100","2","100","2","","","","","","","","5","I 41 m d","I 4bw -2","109","Cu-ZIF-gis","Copper(II) 2-nitroimidazolate","","- C6 H4 Cu N6 O4 -","- C6 H4 Cu N6 O4 -","- C96 H64 Cu16 N96 O64 -","16","1","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.035","0.0339","","","0.0912","0.0923","","","","","","1.03","","","","has coordinates","282270","2023-04-04","09:49:17",""
"7131427","23.426","0.003","23.426","0.003","7.701","0.0015","90","","90","","90","","4226.1","1.1","223","2","223","2","","","","","","","","5","I 41 m d","I 4bw -2","109","Cu-ZIF-gis","di-(2-nitroimidazolate)copper(II)","","- C6 H4 Cu N6 O4 -","- C6 H4 Cu N6 O4 -","- C96 H64 Cu16 N96 O64 -","16","1","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.0401","0.0385","","","0.117","0.1184","","","","","","1.14","","","","has coordinates","282270","2023-04-04","09:49:17",""
"7131428","28.691","0.003","28.691","0.003","28.691","0.003","90","","90","","90","","23618","4","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","Cu-ZIF-rho","di-(2-nitroimidazolate)copper(II)","","- C6 H4 Cu N6 O4 -","- C6 H4 Cu N6 O4 -","- C288 H192 Cu48 N288 O192 -","48","0.5","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.0237","0.0219","","","0.0667","0.0674","","","","","","1.027","","","","has coordinates","282270","2023-04-04","09:49:17",""
"7131429","14.476","0.003","39.955","0.008","16.91","0.003","90","","98.23","0.03","90","","9680","3","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H84 B N9 O8 -","- C73 H84 B N9 O8 -","- C292 H336 B4 N36 O32 -","4","1","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","","0.71075","Synchrotron","","0.1602","0.1378","","0.2868","0.2826","0.2867","","","","","","0.9102","","","","has coordinates,has disorder","282266","2023-04-04","09:46:33",""
"7131430","19.2633","0.0006","14.773","0.0005","19.7937","0.0007","90","","92.871","0.003","90","","5625.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 B N8 Na O18 -","- C56 H67.9998 B N8 Na O17.9999 -","- C224 H271.999 B4 N32 Na4 O71.9996 -","4","1","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.1028","0.0804","","","0.2017","0.2196","","","","","","1.051","","","","has coordinates,has disorder","282266","2023-04-04","09:46:34",""
"7131431","28.0407","0.0007","39.4728","0.0015","18.8173","0.0012","90","","103.209","0.004","90","","20276.8","1.6","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H168 B2 N18 O16 -","- C144 H168 B2 N18 O16 -","- C576 H672 B8 N72 O64 -","4","1","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.1611","0.1052","","","0.3097","0.3633","","","","","","1.016","","","","has coordinates,has disorder","282266","2023-04-04","09:46:43",""
"7131432","19.427","0.003","19.427","0.003","7.487","0.0015","90","","90","","90","","2825.7","0.8","100","","100","","","","","","","","synthesized","6","P 4/n :2","-P 4a","85","","","","- C56 H72 B Li N8 O20 -","- C56 H48 B Li N8 O20 -","- C112 H96 B2 Li2 N16 O40 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","","0.71075","Synchrotron","","0.2602","0.2227","","0.2758","0.2638","0.2739","","","","","","1.3458","","","","has coordinates","282266","2023-04-04","09:46:45",""
"7131433","19.6061","0.0008","19.6061","0.0008","15.0982","0.0009","90","","90","","90","","5803.7","0.5","150","","150","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H72 B N9 O18 -","- C56 H72 B N9 O18 -","- C224 H288 B4 N36 O72 -","4","0.5","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.1526","0.0878","","","0.1973","0.246","","","","","","1.016","","","","has coordinates","282266","2023-04-04","09:46:46",""
"7131434","19.5879","0.0012","19.5879","0.0012","15.0908","0.0014","90","","90","","90","","5790.1","0.7","150","0.1","150","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C112 H140 B2 Ca N16 O38 -","- C112 H140 B2 Ca N16 O38 -","- C224 H280 B4 Ca2 N32 O76 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.263","0.1038","","","0.2393","0.3546","","","","","","0.963","","","","has coordinates,has disorder","282266","2023-04-04","09:46:48",""
"7131435","19.5332","0.0005","19.5332","0.0005","15.1579","0.0004","90","","90","","90","","5783.4","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C112 H140 B2 Mg N16 O38 -","- C112 H140 B2 Mg N16 O38 -","- C224 H280 B4 Mg2 N32 O76 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.1287","0.0753","","","0.1711","0.2033","","","","","","1.023","","","","has coordinates,has disorder","282266","2023-04-04","09:46:51",""
"7131436","14.1697","0.0004","14.5406","0.0004","16.0657","0.0005","110.045","0.003","110.898","0.003","96.92","0.002","2791.7","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C63 H66 B N10 O13 -","- C63 H66 B N10 O13 -","- C126 H132 B2 N20 O26 -","2","1","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.0468","0.0388","","","0.095","0.1006","","","","","","1.049","","","","has coordinates","282266","2023-04-04","09:47:02",""
"7131437","19.618","0.003","19.618","0.003","14.977","0.003","90","","90","","90","","5764.1","1.7","100","0.2","100","0.2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C112 H136 B2 K2 N16 O36 -","- C112 H136 B2 K2 N16 O36 -","- C224 H272 B4 K4 N32 O72 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","","0.71073","Synchrotron","","0.071","0.0591","","","0.1674","0.1799","","","","","","1.028","","","","has coordinates,has disorder","282266","2023-04-04","09:47:07",""
"7131438","10.1192","0.0003","12.0673","0.0003","13.3266","0.0004","88.792","0.001","77.967","0.001","67.58","0.001","1468.2","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F4 I O3 -","- C13 H13 F4 I O3 -","- C52 H52 F16 I4 O12 -","4","2","","Fernandes, Anthony J.; Michelet, Bastien; Panossian, Armen; Martin-Mingot, Agnès; Leroux, Frédéric R.; Thibaudeau, Sébastien","Exploring F/CF3 substituted oxocarbenium ions for the diastereoselective assembly of highly substituted tetrahydrofurans","Chemical Communications","2023","59","27","4083","4086","10.1039/D2CC06521E","","","0.71073","MoKα","","0.0269","0.0216","","","0.0426","0.0454","","","","","","1.098","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131439","15.482","0.003","10.1564","0.0017","17.192","0.003","90","","105.727","0.006","90","","2602.1","0.8","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 Ir N2 O2 -","- C23 H29 Ir N2 O2 -","- C92 H116 Ir4 N8 O8 -","4","2","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","","0.71073","MoKα","","0.0465","0.0356","","","0.0633","0.067","","","","","","0.996","","","","has coordinates","283012","2023-05-04","23:58:49",""
"7131440","14.3819","0.001","27.2526","0.0018","26.1453","0.0017","90","","90","","90","","10247.5","1.2","110","2","110","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H35 Ir N2 O2 -","- C26 H35 Ir N2 O2 -","- C416 H560 Ir16 N32 O32 -","16","2","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","","0.71073","MoKα","","0.0479","0.0434","","","0.1014","0.1044","","","","","","1.1","","","","has coordinates,has disorder","283012","2023-05-04","23:58:50",""
"7131441","8.3354","0.0002","12.19","0.0002","13.0443","0.0003","94.463","0.002","108.394","0.002","96.839","0.002","1239.35","0.05","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O2 Si -","- C31 H27 N O2 Si -","- C62 H54 N2 O4 Si2 -","2","1","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","x-ray","1.54184","CuKα","","0.0432","0.0414","","","0.1083","0.1102","","","","","","1.032","","","","has coordinates","283012","2023-05-04","23:58:50",""
"7131442","8.9043","0.0005","14.237","0.0008","9.2991","0.0005","90","","105.794","0.003","90","","1134.35","0.11","101","2","101","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 Ir N2 O2 -","- C25 H33 Ir N2 O2 -","- C50 H66 Ir2 N4 O4 -","2","1","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","","0.71073","MoKα","","0.0379","0.0298","","","0.0545","0.0571","","","","","","1.072","","","","has coordinates","283012","2023-05-04","23:58:50",""
"7131443","13.3607","0.0009","14.7831","0.0009","25.434","0.0018","97.603","0.002","97.392","0.002","100.151","0.002","4841.6","0.6","302.15","","302.15","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co3 N16 O18 -","- C92 H60 Co3 N16 O18 -","- C184 H120 Co6 N32 O36 -","2","1","","Seal, Nilanjan; Neogi, Subhadip","Dangling carboxylic-acid functionality in a fish-bone-shaped 2D framework as a hydrogen-bond-donating catalyst in Friedel-Crafts alkylation.","Chemical communications (Cambridge, England)","2023","59","33","4954","4957","10.1039/d3cc00657c","","","0.71073","MoKα","","0.1132","0.0611","","","0.1735","0.2178","","","","","","1.0792","","","","has coordinates","283027","2023-05-05","00:05:57",""
"7131444","9.081","0.004","11.007","0.006","14.835","0.007","70.42","0.02","84.5","0.02","82.93","0.02","1384.1","1.2","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Co N4 O5 -","- C24 H16 Co N4 O5 -","- C48 H32 Co2 N8 O10 -","2","1","","Seal, Nilanjan; Neogi, Subhadip","Dangling carboxylic-acid functionality in a fish-bone-shaped 2D framework as a hydrogen-bond-donating catalyst in Friedel-Crafts alkylation.","Chemical communications (Cambridge, England)","2023","59","33","4954","4957","10.1039/d3cc00657c","","","0.71073","MoKα","","0.0605","0.0415","","","0.1293","0.152","","","","","","1.0969","","","","has coordinates","283027","2023-05-05","00:05:57",""
"7131445","6.5537","0.0002","14.9106","0.0004","18.4935","0.0004","90","","90","","90","","1807.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","","Cristóbal, Christian; Corral, César; Carretero, Juan C.; Ribagorda, Maria; Adrio, Javier","Enantioselective transformations of 5-hydroxymethylfurfural <i>via</i> catalytic asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical communications (Cambridge, England)","2023","59","29","4336","4339","10.1039/d3cc00499f","","","1.54178","CuKα","","0.0283","0.0271","","","0.0704","0.0711","","","","","","1.055","","","","has coordinates","283008","2023-05-04","23:56:55",""
"7131446","14.582","0.004","14.754","0.003","15.384","0.004","90","","95.337","0.013","90","","3295.4","1.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H32 N O3 P -","- C41 H32 N O3 P -","- C164 H128 N4 O12 P4 -","4","2","","Huang, Fen; Tao, Ling-Fei; Liu, Jiyong; Qian, Linghui; Liao, Jia-Yu","Diastereo- and enantioselective synthesis of biaryl aldehydes bearing both axial and central chirality.","Chemical communications (Cambridge, England)","2023","59","30","4487","4490","10.1039/d3cc00708a","","","0.71073","MoKα","","0.0458","0.036","","","0.0865","0.0902","","","","","","1.047","","","","has coordinates","283084","2023-05-05","00:23:30",""
"7131447","13.7964","0.0003","25.093","0.0006","10.7544","0.0003","90","","90","","90","","3723.1","0.16","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H32 N O3 P -","- C41 H32 N O3 P -","- C164 H128 N4 O12 P4 -","4","1","","Huang, Fen; Tao, Ling-Fei; Liu, Jiyong; Qian, Linghui; Liao, Jia-Yu","Diastereo- and enantioselective synthesis of biaryl aldehydes bearing both axial and central chirality.","Chemical communications (Cambridge, England)","2023","59","30","4487","4490","10.1039/d3cc00708a","","","1.54178","CuKα","","0.0364","0.0325","","","0.0854","0.0882","","","","","","1.024","","","","has coordinates","283084","2023-05-05","00:23:31",""
"7131448","15.7984","0.0002","19.8256","0.0002","18.1573","0.0002","90","","104.257","0.001","90","","5511.94","0.11","122.99","0.1","122.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 B Cr F21 Fe P5 -","- C54 H46 B Cr F21 Fe P5 -","- C216 H184 B4 Cr4 F84 Fe4 P20 -","4","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0427","0.0384","","","0.1067","0.1114","","","","","","1.046","","","","has coordinates,has disorder","283087","2023-05-05","00:24:38",""
"7131449","15.6478","0.0003","19.8608","0.0003","18.1588","0.0002","90","","104.742","0.001","90","","5457.58","0.15","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H45 B Cl F20 Fe2 P5 -","- C51 H44 B F20 Fe2 P5 -","- C204 H176 B4 F80 Fe8 P20 -","4","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0541","0.0446","","","0.1226","0.1286","","","","","","1.099","","","","has coordinates,has disorder","283087","2023-05-05","00:24:39",""
"7131450","11.9574","0.0001","21.6035","0.0002","23.263","0.0002","90","","93.758","0.001","90","","5996.42","0.09","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 Al F36 Fe Mn O4 P5 -","- C43 H44 Al F36 Fe Mn O4 P5 -","- C172 H176 Al4 F144 Fe4 Mn4 O16 P20 -","4","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.0943","0.0961","","","","","","1.019","","","","has coordinates,has disorder","283087","2023-05-05","00:24:39",""
"7131451","15.8271","0.0002","19.9537","0.0001","17.9342","0.0002","90","","105.161","0.001","90","","5466.66","0.1","122.99","0.1","122.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C102 H88 B2 F40 Fe2 Ni2 P10 -","- C102 H88 B2 F40 Fe2 Ni2 P10 -","- C204 H176 B4 F80 Fe4 Ni4 P20 -","2","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0377","0.0363","","","0.0914","0.0928","","","","","","1.018","","","","has coordinates","283087","2023-05-05","00:24:39",""
"7131452","10.8774","0.0001","28.6587","0.0003","20.0246","0.0002","90","","96.755","0.001","90","","6198.98","0.11","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Al Co F37 Fe2 O4 P10 -","- C39 H32 Al Co F37 Fe2 O4 P10 -","- C156 H128 Al4 Co4 F148 Fe8 O16 P40 -","4","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.057","0.047","","","0.1154","0.1235","","","","","","1.028","","","","has coordinates,has disorder","283087","2023-05-05","00:24:39",""
"7131453","15.9325","0.0004","16.1088","0.0004","26.3304","0.0006","92.872","0.002","91.023","0.002","94.758","0.002","6724.4","0.3","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C92 H32 Al4 F144 Fe2 O16 -","- C92 H32 Al4 F144 Fe2 O16 -","- C184 H64 Al8 F288 Fe4 O32 -","2","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0795","0.0579","","","0.154","0.1642","","","","","","0.997","","","","has coordinates,has disorder","283087","2023-05-05","00:24:39",""
"7131454","19.4743","0.0002","20.279","0.0002","20.0413","0.0002","90","","91.785","0.001","90","","7910.86","0.14","123.02","0.1","123.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H32 B2 Cl2 F40 Fe3 P10 -","- C68.92 H31.84 B2 Cl1.84 F40 Fe3 P10 -","- C275.68 H127.36 B8 Cl7.36 F160 Fe12 P40 -","4","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0708","0.0543","","","0.1477","0.1582","","","","","","1.044","","","","has coordinates,has disorder","283087","2023-05-05","00:24:39",""
"7131455","33.7409","0.0002","14.016","0.0001","22.6687","0.0002","90","","102.808","0.001","90","","10453.6","0.14","123.01","0.1","123.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H42 Al2 As10 F78 Fe3 O8 -","- C70 H42 Al2 As10 F78 Fe3 O8 -","- C280 H168 Al8 As40 F312 Fe12 O32 -","4","1","","Riesinger, Christoph; Röhner, David; Krossing, Ingo; Scheer, Manfred","Teaching old tricks to new dogs - rational synthesis of multi-decker complexes featuring <i>cyclo</i>-P<sub>5</sub> decks.","Chemical communications (Cambridge, England)","2023","59","30","4495","4498","10.1039/d3cc00898c","","x-ray","1.54184","CuKα","","0.0534","0.0411","","","0.1087","0.1155","","","","","","1.069","","","","has coordinates,has disorder","283087","2023-05-05","00:24:39",""
"7131456","15.095","0.009","7.738","0.005","11.649","0.007","90","","91.42","0.02","90","","1360.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S2 -","- C14 H15 N O S2 -","- C56 H60 N4 O4 S8 -","4","1","","Molla, Sabir A.; Ghosh, Debasish; Basak, Ankur; Khamarui, Saikat; Maiti, Dilip K.","Cu(I)-catalysed cross-coupling reaction of <i>in situ</i> generated azomethine ylides towards easy construction of fused N-heterocycles.","Chemical communications (Cambridge, England)","2023","59","31","4664","4667","10.1039/d3cc00660c","","","0.71073","MoKα","","0.0499","0.041","","","0.1109","0.1219","","","","","","1.081","","","","has coordinates","283089","2023-05-05","00:25:08",""
"7131457","13.558","0.003","7.3045","0.0019","23.523","0.006","90","","103.417","0.004","90","","2266","1","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl3 N3 O5 -","- C22 H18 Cl3 N3 O5 -","- C88 H72 Cl12 N12 O20 -","4","1","","Molla, Sabir A.; Ghosh, Debasish; Basak, Ankur; Khamarui, Saikat; Maiti, Dilip K.","Cu(I)-catalysed cross-coupling reaction of <i>in situ</i> generated azomethine ylides towards easy construction of fused N-heterocycles.","Chemical communications (Cambridge, England)","2023","59","31","4664","4667","10.1039/d3cc00660c","","","0.71073","MoKα","","0.0768","0.0492","","","0.1151","0.1347","","","","","","1.011","","","","has coordinates","283089","2023-05-05","00:25:08",""
"7131458","5.3375","0.0006","5.3375","0.0006","52.802","0.009","90","","90","","90","","1504.3","0.4","90","0.5","90","0.5","","","","","","","","4","P 41","P 4w","76","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","He, Xuxian; Thompson, Richard R.; Clawson, Sarah A.; Fronczek, Frank R.; Lee, Semin","Anion receptors with nitrone C-H hydrogen bond donors.","Chemical communications (Cambridge, England)","2023","59","31","4624","4627","10.1039/d3cc00371j","","","0.71073","MoKα","","0.0494","0.0484","","","0.1189","0.1193","","","","","","1.161","","","","has coordinates","283093","2023-05-05","00:25:59",""
"7131459","17.2933","0.0009","13.859","0.0007","15.811","0.0008","90","","94.827","0.002","90","","3775.9","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl Cu F18 N6 P3 -","- C34 H24 Cl Cu F18 N6 P3 -","- C136 H96 Cl4 Cu4 F72 N24 P12 -","4","1","","Du, Jiehao; Cheng, Banggui; Jiang, Long; Han, Zhiji","Copper phenanthroline for selective electrochemical CO<sub>2</sub> reduction on carbon paper.","Chemical communications (Cambridge, England)","2023","59","32","4778","4781","10.1039/d2cc06943a","","","1.34138","synchrotron","","0.0922","0.0585","","","0.1605","0.1842","","","","","","1.035","","","","has coordinates","283018","2023-05-05","00:01:44",""
"7131460","6.9329","0.0007","10.2901","0.0014","11.7596","0.0014","98.018","0.011","98.51","0.009","96.695","0.01","813.48","0.17","149.98","0.1","149.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Cl N3 -","- C17 H12 Cl N3 -","- C34 H24 Cl2 N6 -","2","1","","Du, Jiehao; Cheng, Banggui; Jiang, Long; Han, Zhiji","Copper phenanthroline for selective electrochemical CO<sub>2</sub> reduction on carbon paper.","Chemical communications (Cambridge, England)","2023","59","32","4778","4781","10.1039/d2cc06943a","","x-ray","1.54184","CuKα","","0.1114","0.1","","","0.2689","0.2833","","","","","","1.072","","","","has coordinates","283018","2023-05-05","00:01:45",""
"7131461","16.4364","0.0009","16.9248","0.0011","17.7462","0.0011","85.374","0.002","66.379","0.002","67.884","0.002","4175.9","0.4","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C162 H94 B4 Dy2 F62 N22 S4 -","- C162 H94 B4 Dy2 F61.994 N22 S4 -","- C162 H94 B4 Dy2 F61.994 N22 S4 -","1","0.5","","El Beyrouti, Nour; Houard, Felix; Cordier, Marie; Trzop, Elzbieta; Rigaut, Stéphane; Le Guennic, Boris; Bernot, Kevin; Norel, Lucie","A photochromic metallacycle with highly anisotropic Dy-F magnetic units.","Chemical communications (Cambridge, England)","2023","59","35","5265","5268","10.1039/d3cc01037f","","x-ray","0.71073","MoKα","","0.0845","0.0504","","","0.0998","0.1254","","","","","","1.096","","","","has coordinates,has disorder","283119","2023-05-05","00:34:47",""
"7131462","17.882","0.0009","22.3642","0.0008","16.6012","0.0007","90","","91.536","0.002","90","","6636.7","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H41 B2 Dy F25 N11 -","- C66 H41 B2 Dy F25 N11 -","- C264 H164 B8 Dy4 F100 N44 -","4","1","","El Beyrouti, Nour; Houard, Felix; Cordier, Marie; Trzop, Elzbieta; Rigaut, Stéphane; Le Guennic, Boris; Bernot, Kevin; Norel, Lucie","A photochromic metallacycle with highly anisotropic Dy-F magnetic units.","Chemical communications (Cambridge, England)","2023","59","35","5265","5268","10.1039/d3cc01037f","","x-ray","0.71073","MoKα","","0.0802","0.0411","","","0.0732","0.0832","","","","","","1.01","","","","has coordinates,has disorder","283119","2023-05-05","00:34:47",""
"7131463","17.866","0.0007","22.3348","0.0008","16.6191","0.0006","90","","91.516","0.002","90","","6629.3","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H41 B2 F25 N11 Y -","- C66 H41 B2 F25 N11 Y -","- C264 H164 B8 F100 N44 Y4 -","4","1","","El Beyrouti, Nour; Houard, Felix; Cordier, Marie; Trzop, Elzbieta; Rigaut, Stéphane; Le Guennic, Boris; Bernot, Kevin; Norel, Lucie","A photochromic metallacycle with highly anisotropic Dy-F magnetic units.","Chemical communications (Cambridge, England)","2023","59","35","5265","5268","10.1039/d3cc01037f","","x-ray","0.71073","MoKα","","0.1036","0.0487","","","0.0889","0.1034","","","","","","0.995","","","","has coordinates,has disorder","283119","2023-05-05","00:34:47",""
"7131464","16.4627","0.0009","16.8932","0.001","17.7103","0.001","85.238","0.002","66.519","0.002","68.042","0.002","4177.2","0.4","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C162 H94 B4 F62 N22 S4 Y2 -","- C162 H94 B4 F62 N22 S4 Y2 -","- C162 H94 B4 F62 N22 S4 Y2 -","1","0.5","","El Beyrouti, Nour; Houard, Felix; Cordier, Marie; Trzop, Elzbieta; Rigaut, Stéphane; Le Guennic, Boris; Bernot, Kevin; Norel, Lucie","A photochromic metallacycle with highly anisotropic Dy-F magnetic units.","Chemical communications (Cambridge, England)","2023","59","35","5265","5268","10.1039/d3cc01037f","","x-ray","0.71073","MoKα","","0.1476","0.0629","","","0.1345","0.1779","","","","","","1.014","","","","has coordinates,has disorder","283119","2023-05-05","00:34:47",""
"7131465","7.1749","0.0003","6.6728","0.0003","7.4888","0.0003","90","","99.545","0.004","90","","353.58","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C12 H12 Cl2 N2 O4 -","2","0.5","","Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei","Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>.","Chemical communications (Cambridge, England)","2023","59","31","4644","4647","10.1039/d3cc00776f","","x-ray","0.71073","MoKα","","0.0316","0.0288","","","0.0792","0.0809","","","","","","1.093","","","","has coordinates","283096","2023-05-05","00:26:54",""
"7131466","7.4792","0.0005","6.9912","0.0007","7.5202","0.0004","90","","100.036","0.006","90","","387.2","0.05","413","","413","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 Br N O2 -","- C6 H6 Br N O2 -","- C12 H12 Br2 N2 O4 -","2","0.5","","Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei","Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>.","Chemical communications (Cambridge, England)","2023","59","31","4644","4647","10.1039/d3cc00776f","","","0.71073","MoKα","","0.0538","0.0375","","","0.0996","0.1045","","","","","","0.993","","","","has coordinates,has disorder","283096","2023-05-05","00:26:54",""
"7131467","7.07","0.0007","7.4103","0.0006","7.5264","0.0007","79.944","0.007","86.365","0.007","68.488","0.008","361.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br2 N2 O4 -","- C12 H12 Br2 N2 O4 -","- C12 H12 Br2 N2 O4 -","1","0.5","","Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei","Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>.","Chemical communications (Cambridge, England)","2023","59","31","4644","4647","10.1039/d3cc00776f","","x-ray","0.71073","MoKα","","0.1065","0.0902","","","0.1632","0.1692","","","","","","1.06","","","","has coordinates","283096","2023-05-05","00:26:54",""
"7131468","7.4174","0.0005","7.4195","0.0007","8.1011","0.0007","81.904","0.007","79.902","0.006","67.021","0.007","402.8","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 I2 N2 O4 -","- C12 H12 I2 N2 O4 -","- C12 H12 I2 N2 O4 -","1","0.5","","Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei","Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>.","Chemical communications (Cambridge, England)","2023","59","31","4644","4647","10.1039/d3cc00776f","","x-ray","0.71073","MoKα","","0.0383","0.0358","","","0.0899","0.091","","","","","","1.096","","","","has coordinates","283096","2023-05-05","00:26:54",""
"7131469","20.8691","0.0008","20.8691","0.0008","10.3768","0.0006","90","","90","","90","","4519.3","0.4","150","0.1","150","0.1","","","","","","","","5","I -4","I -4","82","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C184 H200 N24 O16 S8 -","8","1","","Liu, Xiong-Wei; Chen, Zi-Yue; Liu, Ren-Ming; Zhang, Wen-Hui; Pan, Bo-Wen; Zhou, Jian; Tian, You-Ping; Zhou, Ying; Liu, Xiong-Li","Fischer's base-triggered formal (3+2) cycloadditions with 3-isothiocyanato oxindoles as acceptor-donor synthons.","Chemical communications (Cambridge, England)","2023","59","31","4652","4655","10.1039/d3cc00376k","","x-ray","0.71073","MoKα","","0.0759","0.0649","","","0.1675","0.1789","","","","","","1.08","","","","has coordinates,has disorder","283092","2023-05-05","00:25:50",""
"7131470","18.8625","0.0012","8.747","0.0007","25.549","0.002","90","","93.552","0.006","90","","4207.2","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N3 O S -","- C23 H25 N3 O S -","- C184 H200 N24 O8 S8 -","8","1","","Liu, Xiong-Wei; Chen, Zi-Yue; Liu, Ren-Ming; Zhang, Wen-Hui; Pan, Bo-Wen; Zhou, Jian; Tian, You-Ping; Zhou, Ying; Liu, Xiong-Li","Fischer's base-triggered formal (3+2) cycloadditions with 3-isothiocyanato oxindoles as acceptor-donor synthons.","Chemical communications (Cambridge, England)","2023","59","31","4652","4655","10.1039/d3cc00376k","","x-ray","0.71073","MoKα","","0.0486","0.0399","","","0.0919","0.0971","","","","","","1.033","","","","has coordinates","283092","2023-05-05","00:25:50",""
"7131471","7.4539","0.0005","9.848","0.0006","14.022","0.0009","78.299","0.005","84.219","0.005","85.023","0.005","1000.46","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N2 O S -","- C24 H25 N2 O S -","- C48 H50 N4 O2 S2 -","2","1","","Liu, Xiong-Wei; Chen, Zi-Yue; Liu, Ren-Ming; Zhang, Wen-Hui; Pan, Bo-Wen; Zhou, Jian; Tian, You-Ping; Zhou, Ying; Liu, Xiong-Li","Fischer's base-triggered formal (3+2) cycloadditions with 3-isothiocyanato oxindoles as acceptor-donor synthons.","Chemical communications (Cambridge, England)","2023","59","31","4652","4655","10.1039/d3cc00376k","","x-ray","1.54184","CuKα","","0.0616","0.053","","","0.1462","0.1523","","","","","","1.051","","","","has coordinates","283092","2023-05-05","00:25:50",""
"7131472","11.0497","0.0006","10.5607","0.0008","18.3987","0.0013","90","","106.167","0.004","90","","2062.1","0.2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 I N3 O4 -","- C20 H22 I N3 O4 -","- C80 H88 I4 N12 O16 -","4","2","","Mattila, Milla; Rissanen, Kari; Ward, Jas S.","Chiral carbonyl hypoiodites.","Chemical communications (Cambridge, England)","2023","59","31","4648","4651","10.1039/d3cc00259d","","","0.71073","MoKα","","0.1061","0.0544","","","0.0874","0.1025","","","","","","1.037","","","","has coordinates,has disorder","283094","2023-05-05","00:26:25",""
"7131473","9.7571","0.0004","7.3863","0.0002","12.0704","0.0005","90","","111.521","0.004","90","","809.25","0.06","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Mattila, Milla; Rissanen, Kari; Ward, Jas S.","Chiral carbonyl hypoiodites.","Chemical communications (Cambridge, England)","2023","59","31","4648","4651","10.1039/d3cc00259d","","x-ray","1.54184","CuKα","","0.048","0.0469","","","0.1403","0.142","","","","","","1.08","","","","has coordinates","283094","2023-05-05","00:26:25",""
"7131474","7.8221","0.0002","8.3335","0.0002","16.8477","0.0003","88.532","0.002","83.279","0.002","84.899","0.002","1086.23","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C22 H23.6 I N3 O4.2 -","- C22 H23.6 I N3 O4.2 -","- C44 H47.2 I2 N6 O8.4 -","2","2","","Mattila, Milla; Rissanen, Kari; Ward, Jas S.","Chiral carbonyl hypoiodites.","Chemical communications (Cambridge, England)","2023","59","31","4648","4651","10.1039/d3cc00259d","","x-ray","1.54184","CuKα","","0.0242","0.0237","","","0.0606","0.0614","","","","","","1.046","","","","has coordinates,has disorder","283094","2023-05-05","00:26:25",""
"7131475","15.4356","0.0003","7.9667","0.0002","36.8918","0.0009","90","","101.429","0.002","90","","4446.66","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C22 H24 I N3 O5 -","- C22 H24 I N3 O5 -","- C176 H192 I8 N24 O40 -","8","2","","Mattila, Milla; Rissanen, Kari; Ward, Jas S.","Chiral carbonyl hypoiodites.","Chemical communications (Cambridge, England)","2023","59","31","4648","4651","10.1039/d3cc00259d","","x-ray","1.54184","CuKα","","0.0768","0.0714","","","0.1884","0.1958","","","","","","1.052","","","","has coordinates","283094","2023-05-05","00:26:25",""
"7131476","8.3286","0.0003","11.3682","0.0005","15.5301","0.0005","93.171","0.003","96.973","0.003","104.307","0.004","1408.69","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N O -","- C9.33333 H8.66667 N2 O2.66667 -","- C56 H52 N12 O16 -","6","3","","Lin, Dezhi; Yang, Hongyu; Zhang, Xiao; Sun, Huaming; Zhang, Xuepeng; Jian, Yajun; Zhang, Weiqiang; Liu, Yunfang; Gao, Ziwei","Palladium-catalysed Suzuki-Miyaura coupling of α,β-unsaturated superactive triazine esters.","Chemical communications (Cambridge, England)","2023","59","32","4810","4813","10.1039/d3cc00336a","","x-ray","1.54184","CuKα","","0.0542","0.0469","","","0.121","0.1287","","","","","","1.028","","","","has coordinates","283019","2023-05-05","00:01:55",""
"7131477","13.101","0.0017","17.775","0.002","21.174","0.003","90","","93.628","0.005","90","","4920.9","1.1","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co5POM","","","- Co4.88 H46.6 Na10 O112 W19.11 -","- Co4.884 H46.6 Na10 O112 W19.116 -","- Co9.768 H93.2 Na20 O224 W38.232 -","2","0.5","","Singh, Ganga; Adhikary, Subhasis D.; Mandal, Debaprasad","Stabilization and activation of polyoxometalate over poly(vinyl butylimidazolium) cations towards electrocatalytic water oxidation in alkaline media.","Chemical communications (Cambridge, England)","2023","59","32","4774","4777","10.1039/d2cc06790k","","","0.71073","MoKα","","0.0489","0.0368","","","0.073","0.0765","","","","","","1.168","","","","has coordinates,has disorder","283022","2023-05-05","00:03:07",""
"7131478","12.931","0.004","13.39","0.004","15.661","0.005","93.531","0.008","105.35","0.008","115.746","0.008","2306.1","1.3","273","2","273","","","","","","","","","6","P -1","-P 1","2","V-Co4_POM","","","- Co4 H36 Na10 O106 V2 W18 -","- Co4 H36 Na10 O106 V2 W18 -","- Co4 H36 Na10 O106 V2 W18 -","1","0.5","","Singh, Ganga; Adhikary, Subhasis D.; Mandal, Debaprasad","Stabilization and activation of polyoxometalate over poly(vinyl butylimidazolium) cations towards electrocatalytic water oxidation in alkaline media.","Chemical communications (Cambridge, England)","2023","59","32","4774","4777","10.1039/d2cc06790k","","x-ray","0.71073","MoKα","","0.0571","0.0391","","","0.0811","0.0918","","","","","","1.047","","","","has coordinates","283022","2023-05-05","00:03:07",""
"7131479","11.3035","0.0004","14.6331","0.0005","19.5647","0.0006","90","","90","","90","","3236.1","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N -","- C21 H20 N -","- C168 H160 N8 -","8","2","","Jiang, Qianwen; Xie, Wansen; Yang, Xiaoyu","Asymmetric synthesis of highly sterically congested α-tertiary amines <i>via</i> organocatalyzed kinetic resolution.","Chemical communications (Cambridge, England)","2023","59","32","4762","4765","10.1039/d3cc00653k","","","1.54178","CuKα","","0.0689","0.0665","","","0.1695","0.1737","","","","","","1.075","","","","has coordinates","283020","2023-05-05","00:02:06",""
"7131480","9.797","0.003","10.878","0.003","30.575","0.008","90","","96.548","0.017","90","","3237.2","1.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 N3 -","- C39 H45 N3 -","- C156 H180 N12 -","4","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.127","0.0636","","","0.1327","0.1552","","","","","","1.038","","","","has coordinates,has disorder","283021","2023-05-05","00:02:47",""
"7131481","8.4361","0.0005","10.9609","0.0006","21.3387","0.0012","90","","90","","90","","1973.13","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 F N5 O -","- C24 H18 F N5 O -","- C96 H72 F4 N20 O4 -","4","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.0835","0.0516","","","0.1083","0.1195","","","","","","1.028","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131482","9.4016","0.0011","9.7932","0.0008","14.9499","0.0017","100.871","0.003","101.457","0.003","92.165","0.003","1320.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N5 O2 -","- C30 H34 N5 O2 -","- C60 H68 N10 O4 -","2","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.1028","0.0602","","","0.127","0.1408","","","","","","1.025","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131483","10.384","0.008","10.769","0.008","16.438","0.012","72.09","0.03","75.72","0.03","82.68","0.02","1692","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H46 N4 O2 -","- C37 H46 N4 O2 -","- C74 H92 N8 O4 -","2","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.2259","0.1143","","","0.2631","0.3231","","","","","","0.995","","","","has coordinates,has disorder","283021","2023-05-05","00:02:48",""
"7131484","26.084","0.007","17.067","0.005","11.802","0.003","90","","90","","90","","5254","2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H25 N5 O -","- C27 H25 N5 O -","- C216 H200 N40 O8 -","8","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.104","0.0635","","","0.1619","0.1826","","","","","","1.031","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131485","12.713","0.005","27.88","0.012","15.682","0.007","90","","98.665","0.013","90","","5495","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H54 N4 O2 -","- C49 H54 N4 O2 -","- C196 H216 N16 O8 -","4","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.1419","0.0777","","","0.1733","0.1967","","","","","","1.05","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131486","17.399","0.007","18.549","0.007","20.435","0.007","87.92","0.011","76.584","0.011","68.008","0.01","5939","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H58 N4 O2 -","- C55 H58 N4 O2 -","- C220 H232 N16 O8 -","4","2","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.1128","0.0609","","","0.1393","0.1544","","","","","","1.059","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131487","12.217","0.003","22.188","0.005","29.927","0.008","90","","97.789","0.009","90","","8037","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 N5 O -","- C41 H45 N5 O -","- C328 H360 N40 O8 -","8","2","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.1508","0.0769","","","0.1761","0.207","","","","","","1.04","","","","has coordinates,has disorder","283021","2023-05-05","00:02:48",""
"7131488","18.843","0.007","9.345","0.004","9.737","0.004","90","","95.05","0.011","90","","1707.9","1.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","1","","Chen, Zan; Huang, Wenting; Su, Yu; Jiang, Huanfeng; Wu, Wanqing","Lewis/Brønsted acid-mediated cyclization/amidation of 1,6-enynes with nitriles: access to 3-enamide substituted dihydrobenzofurans.","Chemical communications (Cambridge, England)","2023","59","30","4523","4526","10.1039/d3cc00787a","","","0.71073","MoKα","","0.1248","0.0613","","","0.1247","0.157","","","","","","1.029","","","","has coordinates,has disorder","283088","2023-05-05","00:24:55",""
"7131489","9.1676","0.001","4.898","0.0006","19.342","0.002","90","","92.437","0.003","90","","867.73","0.17","170","","170","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H15 Br2 N O2 -","- C18 H15 Br2 N O2 -","- C36 H30 Br4 N2 O4 -","2","1","","Chen, Zan; Huang, Wenting; Su, Yu; Jiang, Huanfeng; Wu, Wanqing","Lewis/Brønsted acid-mediated cyclization/amidation of 1,6-enynes with nitriles: access to 3-enamide substituted dihydrobenzofurans.","Chemical communications (Cambridge, England)","2023","59","30","4523","4526","10.1039/d3cc00787a","","","0.71073","MoKα","","0.0518","0.0359","","","0.0714","0.0793","","","","","","0.978","","","","has coordinates","283088","2023-05-05","00:24:56",""
"7131490","9.5545","0.0014","4.7731","0.0007","12.5151","0.0018","90","","103.509","0.002","90","","554.96","0.14","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Zhang, Chihong; Zhang, Zhen; Wang, Deliang; Wang, Wenkun; Jin, Bo; Wen, Tao; Ye, Lihua; Chen, Zhong-Ning; Cai, Hu","DMSO/<i>t</i>BuONa/O<sub>2</sub>-mediated efficient syntheses of diverse quinoxalines through α-imino radicals.","Chemical communications (Cambridge, England)","2023","59","35","5217","5220","10.1039/d3cc00086a","","","0.71073","MoKα","","0.0422","0.0356","","","0.0824","0.0868","","","","","","1.065","","","","has coordinates","283120","2023-05-05","00:34:55",""
"7131491","16.4434","0.0013","16.4434","0.0013","29.878","0.002","90","","90","","90","","8078.6","1.1","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C52 H68 N12 O25 Th3 -","- C34 H26 N6 O19 Th3 -","- C136 H104 N24 O76 Th12 -","4","0.25","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0577","0.0548","","","0.1416","0.1437","","","","","","1.045","","","","has coordinates,has disorder","283029","2023-05-05","00:07:30",""
"7131492","16.037","0.003","16.037","0.003","30.899","0.008","90","","90","","90","","7947","3","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C43 H42 N9 O21 Th3 -","- C37 H28 N7 O19 Th3 -","- C148 H112 N28 O76 Th12 -","4","0.25","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0661","0.0519","","","0.16","0.1735","","","","","","1.065","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131493","16.1705","0.0012","16.1705","0.0012","30.701","0.003","90","","90","","90","","8027.9","1.2","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C169 H159 N33 O83 Th12 -","- C148 H110 N26 O76 Th12 -","- C148 H110 N26 O76 Th12 -","1","0.0625","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0386","0.0314","","","0.1008","0.1064","","","","","","1.099","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131494","15.939","0.002","15.939","0.002","30.91","0.005","90","","90","","90","","7852.7","1.9","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C85 H89 N17 O46 Th6 -","- C73 H53 N13 O38 Th6 -","- C146 H106 N26 O76 Th12 -","2","0.125","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0651","0.0508","","","0.1528","0.1718","","","","","","1.046","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131495","15.9061","0.0017","15.9061","0.0017","30.979","0.003","90","","90","","90","","7837.8","1.4","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C46 H48 N9 O22 Th3 -","- C37 H27 N6 O19 Th3 -","- C148 H108 N24 O76 Th12 -","4","0.25","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.105","0.061","","","0.1817","0.2106","","","","","","1.042","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131496","10.5669","0.0006","11.3682","0.0006","11.9934","0.0006","90.682","0.002","99.416","0.002","97.172","0.002","1409.43","0.13","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H29 N O6 S -","- C34 H29 N O6 S -","- C68 H58 N2 O12 S2 -","2","1","","Gupta, Anish; Jandial, Tanvi; Karuppasamy, Muthu; Bhuvanesh, Nattamai; Nagarajan, Subbiah; Maheswari, C. Uma; Sridharan, Vellaisamy","Palladium-catalyzed intramolecular oxypalladation-initiated cascade: solvent-dependent chemodivergent approach to functionalized benzazepines and tetrahydroquinolines.","Chemical communications (Cambridge, England)","2023","59","35","5233","5236","10.1039/d3cc01370g","","","0.71073","MoKα","","0.0642","0.0436","","","0.122","0.1292","","","","","","1.122","","","","has coordinates,has disorder","283117","2023-05-05","00:33:53",""
"7131497","31.4137","0.0003","32.1377","0.0002","50.4723","0.0004","90","","90","","90","","50955","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C470.03 H676.06 N60 O40.68 P4 -","- C457.03 H648.06 N60 O40.6766 P4 -","- C1828.12 H2592.24 N240 O162.706 P16 -","4","1","","Zhao, Jie; Zhang, Wenyao; Zheng, Yayun; Wang, Yue; Yang, Dong","Fluorescence ""ON-OFF-ON"" response in the formation of a tetrahedral anionocage and encapsulation of halogenated hydrocarbons.","Chemical communications (Cambridge, England)","2023","59","35","5229","5232","10.1039/d2cc06485e","","","1.54184","CuKα","","0.1023","0.0909","","","0.2505","0.2663","","","","","","1.058","","","","has coordinates","283118","2023-05-05","00:34:24",""
"7131498","9.8892","0.0004","16.7789","0.0011","14.1591","0.0007","90","","98.131","0.002","90","","2325.8","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 I N2 O4 S -","- C26 H23 I N2 O4 S -","- C104 H92 I4 N8 O16 S4 -","4","1","","Di Tommaso, Ester Maria; Walther, Melanie; Staubitz, Anne; Olofsson, Berit","<i>ortho</i>-Functionalization of azobenzenes <i>via</i> hypervalent iodine reagents.","Chemical communications (Cambridge, England)","2023","59","34","5047","5050","10.1039/d3cc01060k","","","0.71073","MoKα","","0.0407","0.0319","","","0.0647","0.0676","","","","","","1.108","","","","has coordinates","283128","2023-05-05","00:38:27",""
"7131499","17.7435","0.0007","17.7435","0.0007","71.981","0.002","90","","90","","120","","19625.8","1.2","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H120 Cl2 N9 O20 Zr6 -","- C120 H120 Cl2 N9 O20 Zr6 -","- C720 H720 Cl12 N54 O120 Zr36 -","6","0.333333","","Nakajo, Toshinobu; Kusaka, Shinpei; Hiraoka, Haruka; Nomura, Kohei; Matsubara, Noriaki; Baba, Rintaro; Yoshida, Yuki; Nakamoto, Kosuke; Honma, Masakazu; Iguchi, Hiroaki; Uchihashi, Takayuki; Abe, Hiroshi; Matsuda, Ryotaro","Creation of single molecular conjugates of metal-organic cages and DNA.","Chemical communications (Cambridge, England)","2023","59","33","4974","4977","10.1039/d3cc00460k","","x-ray","0.71073","MoKα","","0.1272","0.0758","","","0.2167","0.2533","","","","","","1.045","","","","has coordinates,has disorder","283028","2023-05-05","00:06:56",""
"7131500","18.984","0.001","18.984","0.001","51.415","0.002","90","","90","","120","","16047.1","1.3","297","","297","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H96 Cl2 N9 O20 Zr6 -","- C84 H96 Cl2 N9 O20 Zr6 -","- C504 H576 Cl12 N54 O120 Zr36 -","6","0.333333","","Nakajo, Toshinobu; Kusaka, Shinpei; Hiraoka, Haruka; Nomura, Kohei; Matsubara, Noriaki; Baba, Rintaro; Yoshida, Yuki; Nakamoto, Kosuke; Honma, Masakazu; Iguchi, Hiroaki; Uchihashi, Takayuki; Abe, Hiroshi; Matsuda, Ryotaro","Creation of single molecular conjugates of metal-organic cages and DNA.","Chemical communications (Cambridge, England)","2023","59","33","4974","4977","10.1039/d3cc00460k","","x-ray","0.71073","MoKα","","0.1963","0.0772","","","0.1825","0.2389","","","","","","0.928","","","","has coordinates,has disorder","283028","2023-05-05","00:06:59",""
"7131501","7.9904","0.0001","22.68","0.0002","11.9133","0.0001","90","","95.679","0.001","90","","2148.36","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br N O6 -","- C23 H18 Br N O6 -","- C92 H72 Br4 N4 O24 -","4","1","","Bakthadoss, Manickam; Hussain, Mir Ashiq; Reddy, Tadiparthi Thirupathi","Palladium-catalyzed remote <i>meta</i>-C-H olefination of cinnamates.","Chemical communications (Cambridge, England)","2023","59","35","5249","5252","10.1039/d3cc00289f","","","1.54184","CuKα","","0.0371","0.0367","","","0.0973","0.0978","","","","","","1.078","","","","has coordinates","283121","2023-05-05","00:35:08",""
"7131502","11.1628","0.0005","20.3645","0.001","10.9319","0.0005","90","","95.967","0.002","90","","2471.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cl N O6 -","- C29 H22 Cl N O6 -","- C116 H88 Cl4 N4 O24 -","4","1","","Bakthadoss, Manickam; Hussain, Mir Ashiq; Reddy, Tadiparthi Thirupathi","Palladium-catalyzed remote <i>meta</i>-C-H olefination of cinnamates.","Chemical communications (Cambridge, England)","2023","59","35","5249","5252","10.1039/d3cc00289f","","","0.71073","MoKα","","0.0503","0.038","","","0.1238","0.1341","","","","","","1.065","","","","has coordinates","283121","2023-05-05","00:35:08",""
"7131503","14.3958","0.0008","14.8111","0.0008","18.1114","0.001","75.619","0.002","89.545","0.002","65.078","0.002","3371.7","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H90 N8 O4 P2 -","- C58 H58 N8 P2 -","- C116 H116 N16 P4 -","2","1","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0576","0.0419","","","0.1053","0.1173","","","","","","1.026","","","","has coordinates","283127","2023-05-05","00:38:09",""
"7131504","14.2272","0.0017","13.2929","0.0016","17.217","0.002","90","","94.275","0.003","90","","3247","0.7","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.83 H65.65 Au Cl8.65 N8 P2 -","- C61.826 H65.652 Au Cl8.652 N8 P2 -","- C123.652 H131.304 Au2 Cl17.304 N16 P4 -","2","0.5","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0539","0.0378","","","0.077","0.0834","","","","","","1.026","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131505","12.004","0.005","14.462","0.006","19.647","0.009","75.746","0.019","84.619","0.019","66.815","0.012","3039","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 Cl4 N10 P2 -","- C60 H80 Cl4 N10 P2 -","- C120 H160 Cl8 N20 P4 -","2","1","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.1304","0.0688","","","0.1427","0.1714","","","","","","1.024","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131506","15.7617","0.0016","26.139","0.003","37.462","0.004","90","","99.706","0.003","90","","15213","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71.51 H94.76 Ag F3 N16.25 O3 P2 S -","- C67.5077 H88.7606 Ag F3.00165 N14.2535 O3.00165 P2 S1.00055 -","- C540.061 H710.085 Ag8 F24.0132 N114.028 O24.0132 P16 S8.0044 -","8","2","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0837","0.0571","","","0.1351","0.1526","","","","","","1.072","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131507","15.1056","0.0008","21.1586","0.0011","21.5192","0.0012","90","","105.733","0.002","90","","6620.2","0.6","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H92 Cu F3 N10 O5 P2 S -","- C67 H92 Cu F3 N10 O5 P2 S -","- C268 H368 Cu4 F12 N40 O20 P8 S4 -","4","1","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0802","0.0495","","","0.1123","0.1313","","","","","","1.012","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131508","19.9025","0.0009","19.0843","0.001","15.6467","0.0008","90","","102.216","0.002","90","","5808.4","0.5","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Cu F3 N8 O4 P2 S -","- C63 H66 Cu F3 N8 O4 P2 S -","- C252 H264 Cu4 F12 N32 O16 P8 S4 -","4","1","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0754","0.0451","","","0.1001","0.1164","","","","","","1.011","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131509","16.764","0.0008","14.1706","0.0007","29.9119","0.0013","90","","100.955","0.001","90","","6976.3","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68.19 H96.37 Au2 Cl3.21 N10 O2.39 P2 -","- C68.185 H96.37 Au2 Cl3.21 N10 O2.395 P2 -","- C272.74 H385.48 Au8 Cl12.84 N40 O9.58 P8 -","4","1","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0586","0.0406","","","0.0789","0.0849","","","","","","1.059","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131510","20.6611","0.0012","19.347","0.0012","16.2836","0.0011","90","","104.971","0.002","90","","6288.1","0.7","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C67 H74 Ag F3 N8 O5 P2 S -","- C67 H74 Ag F3 N8 O5 P2 S -","- C268 H296 Ag4 F12 N32 O20 P8 S4 -","4","2","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0395","0.0337","","","0.0823","0.086","","","","","","1.032","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131511","21.147","0.003","19.542","0.003","12.709","0.002","90","","122.108","0.004","90","","4448.7","1.2","299","2","299","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 B F4 N2 O2 -","- C46 H66 B F3.99998 N2 O2 -","- C184 H264 B4 F15.9999 N8 O8 -","4","0.5","","Das, Bindusagar; Yadav, Ritu; Sharma, Ankita; Karmakar, Tarak; Kundu, Subrata","Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability.","Chemical communications (Cambridge, England)","2023","59","35","5285","5288","10.1039/d3cc00200d","","","0.71073","MoKα","","0.1881","0.0998","","","0.2815","0.343","","","","","","1.041","","","","has coordinates","283116","2023-05-05","00:33:40",""
"7131512","9.5562","0.0005","12.4168","0.0007","18.0018","0.0009","75.944","0.003","87.24","0.003","75.943","0.003","2009.91","0.19","301","2","301","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H62 B F4 N2 O2 -","- C42 H62 B F4 N2 O2 -","- C84 H124 B2 F8 N4 O4 -","2","1","","Das, Bindusagar; Yadav, Ritu; Sharma, Ankita; Karmakar, Tarak; Kundu, Subrata","Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability.","Chemical communications (Cambridge, England)","2023","59","35","5285","5288","10.1039/d3cc00200d","","","0.71073","MoKα","","0.1699","0.0784","","","0.2077","0.2669","","","","","","1.0506","","","","has coordinates","283116","2023-05-05","00:33:43",""
"7131513","8.4901","0.0003","8.4901","0.0003","41.463","0.002","90","","90","","120","","2588.31","0.18","308","2","308","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H19 Co N8 O -","- C12.001 H18.9987 Co N8.0002 O -","- C72.006 H113.992 Co6 N48.0012 O6 -","6","0.166667","","Moskwa, Marcin; Sobieszczyk, Paweł; Mikurenda, Julia W.; Zieliński, Piotr; Rok, Magdalena","Improper ferroelastic phase transition in a hydrogen-bonded metallocyanide-based (azetidinium)<sub>2</sub>(H<sub>3</sub>O)[Co(CN)<sub>6</sub>] framework.","Chemical communications (Cambridge, England)","2023","59","37","5535","5538","10.1039/d3cc01253k","","","0.71073","MoKα","","0.0476","0.0401","","","0.1034","0.1083","","","","","","1.071","","","","has coordinates,has disorder","284176","2023-06-05","03:36:35",""
"7131514","14.497","0.003","8.5378","0.0003","14.317","0.002","90","","108.12","0.03","90","","1684.2","0.5","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H19 Co N8 O -","- C12 H19 Co N8 O -","- C48 H76 Co4 N32 O4 -","4","1","","Moskwa, Marcin; Sobieszczyk, Paweł; Mikurenda, Julia W.; Zieliński, Piotr; Rok, Magdalena","Improper ferroelastic phase transition in a hydrogen-bonded metallocyanide-based (azetidinium)<sub>2</sub>(H<sub>3</sub>O)[Co(CN)<sub>6</sub>] framework.","Chemical communications (Cambridge, England)","2023","59","37","5535","5538","10.1039/d3cc01253k","","","0.71073","MoKα","","0.0727","0.0368","","","0.0924","0.0946","","","","","","1.066","","","","has coordinates","284176","2023-06-05","03:36:46",""
"7131515","43.956","0.008","18.1","0.003","34.426","0.006","90","","111.362","0.003","90","","25508","8","100.15","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C226 H233 Cl4 Hg K N32 O42 -","- C226 H77 Cl4 Hg K N32 O42 -","- C904 H308 Cl16 Hg4 K4 N128 O168 -","4","0.5","","Galan, Albano; Lulic, Kristijan; Wang, Jingqi; Wicher, Barbara; Huc, Ivan; Duhamel, Jean; Maurizot, Victor","Coaxial assembly of helical aromatic foldamers by metal coordination.","Chemical communications (Cambridge, England)","2023","59","35","5253","5256","10.1039/d3cc00866e","","","1.54187","CuKα","","0.1406","0.1192","","","0.3478","0.3589","","","","","","1.316","","","","has coordinates,has disorder","283126","2023-05-05","00:36:50",""
"7131516","19.053","0.004","24.368","0.004","26.337","0.005","66.462","0.012","88.27","0.02","80.27","0.02","11040","4","100.15","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C224 H226 K2 N32 O40 -","- C224 H78 K2 N32 O40 -","- C448 H156 K4 N64 O80 -","2","1","","Galan, Albano; Lulic, Kristijan; Wang, Jingqi; Wicher, Barbara; Huc, Ivan; Duhamel, Jean; Maurizot, Victor","Coaxial assembly of helical aromatic foldamers by metal coordination.","Chemical communications (Cambridge, England)","2023","59","35","5253","5256","10.1039/d3cc00866e","","","1.54187","CuKα","","0.1804","0.0989","","","0.2756","0.3316","","","","","","1.007","","","","has coordinates","283126","2023-05-05","00:36:50",""
"7131517","44.863","0.014","19.062","0.005","28.749","0.009","90","","106.137","0.007","90","","23617","12","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C228 H230 Cl12 N32 Na2 O40 -","- C228 H78 Cl12 N32 Na2 O40 -","- C912 H312 Cl48 N128 Na8 O160 -","4","1","","Galan, Albano; Lulic, Kristijan; Wang, Jingqi; Wicher, Barbara; Huc, Ivan; Duhamel, Jean; Maurizot, Victor","Coaxial assembly of helical aromatic foldamers by metal coordination.","Chemical communications (Cambridge, England)","2023","59","35","5253","5256","10.1039/d3cc00866e","","","1.54187","CuKα","","0.2416","0.1931","","","0.472","0.5113","","","","","","1.673","","","","has coordinates,has disorder","283126","2023-05-05","00:36:50",""
"7131518","7.4133","0.0013","26.128","0.005","8.6554","0.0016","90","","103.592","0.007","90","","1629.6","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzenesulfonyl)-trans-1-ethyl-5,6-dimethyl-5,6-dihydropyridin-2-imine","","- C15 H19 N3 O4 S -","- C15 H19 N3 O4 S -","- C60 H76 N12 O16 S4 -","4","1","","Martin, Matthew L.; Wilson, Claire; Boyer, Alistair","Stereodefined synthesis of cyclic amidines by domino 1,7-H shift and 6π electrocyclisation.","Chemical communications (Cambridge, England)","2023","59","33","4899","4902","10.1039/d3cc01127e","","","0.71073","MoKα","","0.1077","0.0738","","","0.1548","0.1685","","","","","","1.103","","","","has coordinates,has disorder","283025","2023-05-05","00:04:14",""
"7131519","8.1533","0.0019","16.228","0.004","24.673","0.005","90.389","0.007","96.302","0.007","94.832","0.008","3232.8","1.3","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H62 B2 N4 S -","- C80 H62 B2 N4 S -","- C160 H124 B4 N8 S2 -","2","1","","Wang, Menglei; Fu, Zhangyi; Cheng, Rui; Du, Jiping; Wu, Tanping; Bin, Zhengyang; Wu, Di; Yang, Yudong; Lan, Jingbo","Dibenzo[<i>b,d</i>]furan/thiophene-fused double boron-based multiresonance emitters with narrowband ultrapure green electroluminescence.","Chemical communications (Cambridge, England)","2023","59","34","5126","5129","10.1039/d3cc01120h","","x-ray","0.71073","MoKα","","0.2007","0.0775","","","0.1688","0.2406","","","","","","1.007","","","","has coordinates,has disorder","283129","2023-05-05","00:38:38",""
"7131520","23.5888","0.0008","40.7313","0.0007","18.7673","0.0005","90","","111.702","0.003","90","","16753.6","0.9","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C171 H206 N8 O17 S -","- C124 H151 N8 O15 S -","- C496 H604 N32 O60 S4 -","4","1","","Andreoni, Leonardo; Cester Bonati, Federica; Groppi, Jessica; Balestri, Davide; Cera, Gianpiero; Credi, Alberto; Secchi, Andrea; Silvi, Serena","Selective enhancement of organic dye properties through encapsulation in rotaxane orientational isomers.","Chemical communications (Cambridge, England)","2023","59","33","4970","4973","10.1039/d3cc01135f","","","1.54184","CuKα","","0.1945","0.1462","","","0.3771","0.4262","","","","","","1.074","","","","has coordinates,has disorder","283026","2023-05-05","00:04:33",""
"7131521","9.029","0.0007","28.77","0.002","16.0887","0.0013","90","","89.983","0.002","90","","4179.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C95 H120 Al2 La3 N Si2 -","- C95 H120 Al2 La3 N Si2 -","- C190 H240 Al4 La6 N2 Si4 -","2","0.5","","Moinet, Eric C.; Tardif, Olivier; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Triisobutylaluminium-promoted formation of lanthanide hydrides.","Chemical communications (Cambridge, England)","2023","59","35","5261","5264","10.1039/d3cc01330h","","","0.71073","MoKα","","0.1027","0.0738","","","0.1838","0.2022","","","","","","1.035","","","","has coordinates,has disorder","283123","2023-05-05","00:35:44",""
"7131522","9.3385","0.0014","11.4915","0.0017","20.898","0.003","94.846","0.002","101.606","0.002","92.456","0.002","2184.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H82 Al2 N Nd Si2 -","- C34 H82 Al2 N Nd Si2 -","- C68 H164 Al4 N2 Nd2 Si4 -","2","1","","Moinet, Eric C.; Tardif, Olivier; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Triisobutylaluminium-promoted formation of lanthanide hydrides.","Chemical communications (Cambridge, England)","2023","59","35","5261","5264","10.1039/d3cc01330h","","","0.71073","MoKα","","0.0817","0.0558","","","0.1212","0.1359","","","","","","1.04","","","","has coordinates,has disorder","283123","2023-05-05","00:35:44",""
"7131523","9.3044","0.001","11.6057","0.0012","21.098","0.002","93.848","0.002","102.114","0.002","92.747","0.002","2218","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H82 Al2 La N Si2 -","- C34 H82 Al2 La N Si2 -","- C68 H164 Al4 La2 N2 Si4 -","2","1","","Moinet, Eric C.; Tardif, Olivier; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Triisobutylaluminium-promoted formation of lanthanide hydrides.","Chemical communications (Cambridge, England)","2023","59","35","5261","5264","10.1039/d3cc01330h","","","0.71073","MoKα","","0.0645","0.042","","","0.0841","0.0943","","","","","","1.036","","","","has coordinates,has disorder","283123","2023-05-05","00:35:44",""
"7131524","14.132","0.0017","15.5704","0.0019","26.282","0.003","90","","91.616","0.002","90","","5780.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H106 Al2 N Nd O6 Si2 -","- C46 H106 Al2 N Nd O6 Si2 -","- C184 H424 Al8 N4 Nd4 O24 Si8 -","4","1","","Moinet, Eric C.; Tardif, Olivier; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Triisobutylaluminium-promoted formation of lanthanide hydrides.","Chemical communications (Cambridge, England)","2023","59","35","5261","5264","10.1039/d3cc01330h","","","0.71073","MoKα","","0.0633","0.0395","","","0.0806","0.0916","","","","","","1.02","","","","has coordinates","283123","2023-05-05","00:35:44",""
"7131525","9.309","0.0014","11.5249","0.0018","21.018","0.003","94.562","0.001","101.615","0.001","92.784","0.001","2196.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H82 Al2 N Pr Si2 -","- C34 H82 Al2 N Pr Si2 -","- C68 H164 Al4 N2 Pr2 Si4 -","2","1","","Moinet, Eric C.; Tardif, Olivier; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Triisobutylaluminium-promoted formation of lanthanide hydrides.","Chemical communications (Cambridge, England)","2023","59","35","5261","5264","10.1039/d3cc01330h","","","0.71073","MoKα","","0.0609","0.0456","","","0.1024","0.1167","","","","","","1.131","","","","has coordinates,has disorder","283123","2023-05-05","00:35:44",""
"7131526","9.711","0.0009","16.129","0.0015","9.7091","0.0009","90","","90","","90","","1520.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zinc Aminotriazolato Acetate Hydroxide","","- C6 H9 N8 O3 Zn2 -","- C6 H9 N8 O3 Zn2 -","- C24 H36 N32 O12 Zn8 -","4","0.5","","Singh, Piyush; Singh, Himan Dev; Menon, Abhijith Hari; Vaidhyanathan, Ramanathan","Preferential CO<sub>2</sub> adsorption by an ultra-microporous zinc-aminotriazolato-acetate MOF.","Chemical communications (Cambridge, England)","2023","59","37","5559","5562","10.1039/d3cc01157g","","","1.54178","CuKα","","0.0624","0.0585","","","0.174","0.1783","","","","","","1.115","","","","has coordinates","284173","2023-06-05","03:35:10",""
"7131527","18.8006","0.0002","13.66544","0.00013","18.6649","0.0002","90","","112.8","0.0015","90","","4420.66","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 Al I N2 Si2 -","- C42 H76 Al I N2 Si2 -","- C168 H304 Al4 I4 N8 Si8 -","4","1","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","1.54184","CuKα","","0.0715","0.0696","","","0.2034","0.2058","","","","","","1.034","","","","has coordinates,has disorder","283115","2023-05-05","00:32:48",""
"7131528","10.1072","0.0006","10.2573","0.0006","17.9608","0.0008","89.292","0.004","83.539","0.004","66.374","0.006","1694.04","0.18","149.9","0.7","149.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Al I N2 Si2 -","- C30 H52 Al I N2 Si2 -","- C60 H104 Al2 I2 N4 Si4 -","2","1","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","0.71073","MoKα","","0.0678","0.0479","","","0.1162","0.128","","","","","","1.035","","","","has coordinates,has disorder","283115","2023-05-05","00:32:49",""
"7131529","12.8772","0.0005","14.6377","0.0006","17.2412","0.0006","87.531","0.003","83.372","0.003","84.087","0.003","3209.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H101 Al Mg N4 Si2 -","- C66 H101 Al Mg N4 Si2 -","- C132 H202 Al2 Mg2 N8 Si4 -","2","1","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","1.54184","CuKα","","0.0466","0.0426","","","0.1183","0.1224","","","","","","1.008","","","","has coordinates,has disorder","283115","2023-05-05","00:32:49",""
"7131530","13.19442","0.00016","14.99103","0.00015","22.2823","0.0002","90","","90","","90","","4407.39","0.08","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H76 Al K N2 Si2 -","- C42 H76 Al K N2 Si2 -","- C168 H304 Al4 K4 N8 Si8 -","4","1","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","1.54184","CuKα","","0.0439","0.0409","","","0.105","0.1081","","","","","","1.038","","","","has coordinates","283115","2023-05-05","00:32:49",""
"7131531","22.1102","0.0005","33.7684","0.0008","10.73","0.0003","90","","90","","90","","8011.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H58 Al K N2 Si2 -","- C30 H52 Al K N2 Si2 -","- C240 H416 Al8 K8 N16 Si16 -","8","2","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","0.71073","MoKα","","0.0616","0.0578","","","0.1562","0.1595","","","","","","1.073","","","","has coordinates","283115","2023-05-05","00:32:49",""
"7131532","19.8012","0.0012","22.2405","0.0013","25.7774","0.0015","85.187","0.001","85.307","0.001","72.362","0.001","10761.2","1.1","233","","233","","","","","","","","","9","P -1","-P 1","2","","ZnEu","","- C190 H296 Cl4 Eu26 F18 N4 O204 S2 Zn22 -","- C190 H284 Cl4 Eu26 F18 N4 O198 S2 Zn22 -","- C190 H284 Cl4 Eu26 F18 N4 O198 S2 Zn22 -","1","0.5","","Zhao, Jinni; Leng, Xilong; Lin, Jiazhao; Yang, Xiaoping; Lv, Xiaoli; Huang, Xianfeng; Yang, Zhi; Schipper, Desmond","Rapid and quantitative detection of the inflammatory marker neopterin based on a visible luminescent Zn(II)-Eu(III) nanocluster.","Chemical communications (Cambridge, England)","2023","59","36","5435","5438","10.1039/d2cc06504e","","","0.71073","MoKα","","0.1193","0.0667","","","0.1725","0.1924","","","","","","1.046","","","","has coordinates","283113","2023-05-05","00:31:44",""
"7131533","9.8468","0.0004","10.3709","0.0004","17.4196","0.0008","90","","90","","90","","1778.89","0.13","134.31","","134.31","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Br4 I4 N4 O16 -","- C72 H60 Br4 I4 N4 O16 -","- C72 H60 Br4 I4 N4 O16 -","1","0.25","","Dutta, Sourav; Porey, Arka; Guin, Joyram","N-Heterocyclic carbene catalyzed desymmetrization of diols: access to enantioenriched oxindoles having a C3-quaternary stereocenter.","Chemical communications (Cambridge, England)","2023","59","38","5771","5774","10.1039/d3cc00489a","","","0.71073","MoKα","","0.0283","0.027","","","0.0638","0.0643","","","","","","1.061","","","","has coordinates","284205","2023-06-05","03:47:52",""
"7131534","15.1246","0.0012","15.3418","0.0009","23.6578","0.0018","90","","99.404","0.003","90","","5415.7","0.7","231","2","231","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H61 B Cl3 N3 -","- C65 H61 B Cl3 N3 -","- C260 H244 B4 Cl12 N12 -","4","1","","Xiao, Xin; Lei, Bowen; Wu, Di; Bin, Zhengyang","""Medium-ring"" strategy enables high-performance narrowband pure-blue multi-resonance emitters: boost provided by a unique perpendicular geometry.","Chemical communications (Cambridge, England)","2023","59","43","6556","6559","10.1039/d3cc01235b","","","0.71073","MoKα","","0.1001","0.0696","","","0.1783","0.2068","","","","","","1.017","","","","has coordinates,has disorder","284183","2023-06-05","03:40:22",""
"7131535","17.5676","0.0002","11.28947","0.00011","20.1652","0.0003","90","","112.362","0.0014","90","","3698.58","0.09","173","0.1","173","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H55 Co F2 N2 Na O2 Si4 -","- C26 H55 Co F2 N2 Na O2 Si4 -","- C104 H220 Co4 F8 N8 Na4 O8 Si16 -","4","1","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","0.71073","MoKα","","0.0617","0.0402","","","0.0973","0.1078","","","","","","1.032","","","","has coordinates,has disorder","283114","2023-05-05","00:32:24",""
"7131536","9.8682","0.00006","16.3345","0.00014","18.12805","0.00016","113.061","0.0008","102.112","0.0006","98.0739","0.0006","2546.96","0.04","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H146 Co4 F6 N8 Na4 Si16 -","- C60 H146 Co4 F6 N8 Na4 Si16 -","- C60 H146 Co4 F6 N8 Na4 Si16 -","1","0.5","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","1.54184","CuKα","","0.0259","0.0248","","","0.0672","0.0679","","","","","","1.026","","","","has coordinates,has disorder","283114","2023-05-05","00:32:24",""
"7131537","9.10611","0.00006","29.0863","0.0002","32.9649","0.0002","90","","95.7961","0.0006","90","","8686.55","0.1","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H91 Co2 N5 Si10 -","- C36 H91 Co2 N5 Si10 -","- C216 H546 Co12 N30 Si60 -","6","3","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","1.54184","CuKα","","0.0767","0.0722","","","0.1989","0.2051","","","","","","1.078","","","","has coordinates,has disorder","283114","2023-05-05","00:32:24",""
"7131538","13.3832","0.0002","18.7778","0.0003","10.86351","0.00014","90","","90","","90","","2730.08","0.07","173","0.1","173","0.1","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C18 H38 Co F3 Li N2 Si4 -","- C18 H38 Co F3 Li N2 Si4 -","- C72 H152 Co4 F12 Li4 N8 Si16 -","4","0.5","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","0.71073","MoKα","","0.0335","0.0272","","","0.0636","0.0655","","","","","","1.013","","","","has coordinates","283114","2023-05-05","00:32:24",""
"7131539","21.6543","0.0002","17.95986","0.00012","27.5932","0.0003","90","","97.4528","0.001","90","","10640.6","0.17","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H276 Co8 F20 N14 Na8 Si28 -","- C138 H276 Co8 F20 N14 Na8 Si28 -","- C276 H552 Co16 F40 N28 Na16 Si56 -","2","0.5","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","1.54184","CuKα","","0.0873","0.0539","","","0.1261","0.1484","","","","","","1.034","","","","has coordinates,has disorder","283114","2023-05-05","00:32:24",""
"7131540","25.716","0.0011","25.716","0.0011","43.4014","0.0019","90","","90","","90","","28702","2","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","","Na@Co24","","- C416.5 H560.5 Cl6 Co24 N45.5 Na4 O117.5 S24 -","- C316.001 H308.001 Cl6 Co24 N11.9992 Na3.9996 O83.9992 S24 -","- C632.002 H616.002 Cl12 Co48 N23.9984 Na7.9992 O167.998 S48 -","2","0.125","","Guo, Yinjuan; Li, Jiahui; Zhao, Guiyan; Chen, Baokuan; Hang, Xinxin; Bi, Yanfeng","Post-synthetic atomically precise single-Cu<sup>II</sup> sites in a thiacalix[4]arene-supported octahedral Na@Co<sub>24</sub> cluster: the Cu-Co synergistic effect for selective photocatalytic conversion of CO<sub>2</sub> to CO.","Chemical communications (Cambridge, England)","2023","59","37","5591","5594","10.1039/d3cc01230a","","","0.71073","MoKα","","0.1269","0.0836","","","0.2456","0.2848","","","","","","1.04","","","","has coordinates,has disorder","284175","2023-06-05","03:36:11",""
"7131541","25.981","0.003","25.981","0.003","43.544","0.005","90","","90","","90","","29393","6","150","2","150","2","","","","","","","","9","I 4/m","-I 4","87","","Cu@Co24","","- C334.5 H337 Cl82.5 Co24 Cu2.5 N8 Na O84.5 S24 -","- C304.001 H280.001 Cl6 Co24 Cu2.5 N7.9992 Na O75.5 S24 -","- C608.002 H560.002 Cl12 Co48 Cu5 N15.9984 Na2 O151 S48 -","2","0.125","","Guo, Yinjuan; Li, Jiahui; Zhao, Guiyan; Chen, Baokuan; Hang, Xinxin; Bi, Yanfeng","Post-synthetic atomically precise single-Cu<sup>II</sup> sites in a thiacalix[4]arene-supported octahedral Na@Co<sub>24</sub> cluster: the Cu-Co synergistic effect for selective photocatalytic conversion of CO<sub>2</sub> to CO.","Chemical communications (Cambridge, England)","2023","59","37","5591","5594","10.1039/d3cc01230a","","","0.71073","MoKα","","0.1106","0.0728","","","0.2099","0.2482","","","","","","1","","","","has coordinates,has disorder","284175","2023-06-05","03:36:16",""
"7131542","12.3684","0.0014","14.0492","0.0013","60.098","0.008","90","","90","","90","","10443","2","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C33 H22 Br N O6 -","- C31 H21.49 Br N O4.5 -","- C496 H343.84 Br16 N16 O72 -","16","2","","Inoue, Ryo; Furumoto, Kyosuke; Morisaki, Yasuhiro","Syntheses of heterotriptycenes and their Pt complexes that emit circularly polarised fluorescence and phosphorescence.","Chemical communications (Cambridge, England)","2023","59","37","5571","5574","10.1039/d3cc01190a","","x-ray","0.71073","MoKα","","0.219","0.1719","","","0.3799","0.4118","","","","","","1.059","","","","has coordinates,has disorder","284177","2023-06-05","03:37:18",""
"7131543","12.0615","0.0007","14.387","0.0009","61.506","0.003","90","","90","","90","","10673.1","1","150","","150","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H21 Br F N O4 -","- C29 H21 Br F N O4 -","- C464 H336 Br16 F16 N16 O64 -","16","2","","Inoue, Ryo; Furumoto, Kyosuke; Morisaki, Yasuhiro","Syntheses of heterotriptycenes and their Pt complexes that emit circularly polarised fluorescence and phosphorescence.","Chemical communications (Cambridge, England)","2023","59","37","5571","5574","10.1039/d3cc01190a","","x-ray","0.71073","MoKα","","0.2175","0.1201","","","0.2296","0.2761","","","","","","1.026","","","","has coordinates,has disorder","284177","2023-06-05","03:37:19",""
"7131544","19.4337","0.0005","6.5348","0.0001","17.2542","0.0006","90","","114.748","0.004","90","","1989.96","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C88 H104 O16 S4 -","4","1","","Halder, Indranil; Nair, Akshay M.; Volla, Chandra M. R.","A visible light mediated alkyl sulfonylative cascade using Hantzsch esters <i>via</i> SO<sub>2</sub> insertion.","Chemical communications (Cambridge, England)","2023","59","39","5862","5865","10.1039/d3cc01088k","","x-ray","0.71073","MoKα","","0.0502","0.0449","","","0.116","0.1223","","","","","","1.074","","","","has coordinates","284195","2023-06-05","03:43:24",""
"7131545","10.5572","0.0002","12.2026","0.0002","15.4049","0.0003","90","","90","","90","","1984.54","0.06","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O4 S -","- C22 H28 O4 S -","- C88 H112 O16 S4 -","4","1","","Halder, Indranil; Nair, Akshay M.; Volla, Chandra M. R.","A visible light mediated alkyl sulfonylative cascade using Hantzsch esters <i>via</i> SO<sub>2</sub> insertion.","Chemical communications (Cambridge, England)","2023","59","39","5862","5865","10.1039/d3cc01088k","","x-ray","0.71073","MoKα","","0.0379","0.0365","","","0.0878","0.0883","","","","","","1.115","","","","has coordinates","284195","2023-06-05","03:43:24",""
"7131546","12.88","0.004","18.325","0.007","21.134","0.008","90","","90","","90","","4988","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C248 H256 O32 -","8","1","","Saravanan, Velautham; Jeganmohan, Masilamani","Palladium-catalyzed stereocontrolled ring-opening of 7-oxabenzonorbornadienes with organic carboxylic acids.","Chemical communications (Cambridge, England)","2023","59","37","5619","5622","10.1039/d3cc00604b","","","0.71073","MoKα","","0.0784","0.055","","","0.1356","0.1644","","","","","","1.137","","","","has coordinates,has disorder","284172","2023-06-05","03:34:55",""
"7131547","12.6499","0.0018","14.203","0.003","16.8","0.003","77.885","0.003","75.56","0.003","77.008","0.003","2810.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","6","","","- C47 H40 F12 N6 O9 P2 S4 Zn -","- C47 H40 F12 N6 O9 P2 S4 Zn -","- C94 H80 F24 N12 O18 P4 S8 Zn2 -","2","1","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.1323","0.0835","","","0.225","0.2667","","","","","","1.041","","","","has coordinates,has disorder","283111","2023-05-05","00:31:03",""
"7131548","34.469","0.007","13.371","0.003","11.347","0.002","90","","90","","90","","5229.7","1.8","250","2","250","2","","","","","","","","10","P n m a","-P 2ac 2n","62","17","","","- C46 H44 Au Br F12 N4 O P2 Sb2 Zn -","- C46 H44 Au Br F12 N4 O P2 Sb2 Zn -","- C184 H176 Au4 Br4 F48 N16 O4 P8 Sb8 Zn4 -","4","0.5","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0863","0.06","","","0.121","0.1301","","","","","","1.157","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131549","27.215","0.003","15.3259","0.0019","11.2478","0.0014","90","","90","","90","","4691.4","1","100","2","100","2","","","","","","","","10","P n m a","-P 2ac 2n","62","11","","","- C47 H44 Au Cl Cu F3 N4 O4 P2 S -","- C47 H44 Au Cl Cu F3 N4 O4 P2 S -","- C188 H176 Au4 Cl4 Cu4 F12 N16 O16 P8 S4 -","4","0.5","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0559","0.0441","","","0.1028","0.107","","","","","","1.051","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131550","11.1687","0.0015","16.198","0.002","34.695","0.005","90","","90","","90","","6276.7","1.5","100","2","100","2","","","","","","","","10","P n m a","-P 2ac 2n","62","7","","","- C54 H52 Au Cl F12 N6 O10 P2 S4 Zn -","- C54 H52 Au Cl F12 N6 O10 P2 S4 Zn -","- C216 H208 Au4 Cl4 F48 N24 O40 P8 S16 Zn4 -","4","0.5","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0782","0.0552","","","0.1221","0.1302","","","","","","1.067","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131551","14.1986","0.0013","15.7612","0.0015","15.7808","0.0015","96.576","0.002","108.838","0.002","107.971","0.002","3088.1","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","9","","","- C52 H52 Ag Au F12 N6 O8 P2 S5 -","- C48 H42 Ag Au F12 N6 O8 P2 S5 -","- C96 H84 Ag2 Au2 F24 N12 O16 P4 S10 -","2","1","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0674","0.0478","","","0.1031","0.112","","","","","","1.046","","","","has coordinates","283111","2023-05-05","00:31:04",""
"7131552","16.5099","0.0014","26.641","0.003","27.507","0.003","90","","90","","90","","12099","2","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","12","","","- C55 H45 Ag Au F12 N6 O8 P2 S4 -","- C55 H45 Ag Au F12 N6 O8 P2 S4 -","- C440 H360 Ag8 Au8 F96 N48 O64 P16 S32 -","8","1","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0544","0.0389","","","0.0863","0.0947","","","","","","1.083","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131553","14.81742","0.00016","17.256","0.0002","25.0836","0.0003","90","","95.1264","0.0009","90","","6387.96","0.13","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","8","","","- C49 H38 Au Cl2 F18 N7 O12 P2 S6 Zn -","- C49 H38 Au Cl2 F18 N7 O12 P2 S6 Zn -","- C196 H152 Au4 Cl8 F72 N28 O48 P8 S24 Zn4 -","4","2","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0587","0.0354","","","0.063","0.0681","","","","","","0.941","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131554","6.5843","0.0003","9.6121","0.0004","20.5866","0.0008","90","","93.744","0.001","90","","1300.12","0.09","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","triclinic","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Begam, Hasina Mamataj; Pradhan, Kangkan; Varalaxmi, Kasarla; Jana, Ranjan","An HFIP-assisted, cobalt-catalyzed three-component electrophilic C-H amination/cyclization/directing group removal cascade to naphtho[1,2-d]imidazoles.","Chemical communications (Cambridge, England)","2023","59","37","5595","5598","10.1039/d3cc00749a","","","1.54178","CuKα","","0.0432","0.0422","","","0.1115","0.1125","","","","","","1.064","","","","has coordinates","284174","2023-06-05","03:35:25",""
"7131555","13.2417","0.0009","12.7619","0.0009","7.809","0.0005","90","","99.428","0.003","90","","1301.81","0.15","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","monoclinic","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Begam, Hasina Mamataj; Pradhan, Kangkan; Varalaxmi, Kasarla; Jana, Ranjan","An HFIP-assisted, cobalt-catalyzed three-component electrophilic C-H amination/cyclization/directing group removal cascade to naphtho[1,2-d]imidazoles.","Chemical communications (Cambridge, England)","2023","59","37","5595","5598","10.1039/d3cc00749a","","","1.54178","CuKα","","0.0699","0.0672","","","0.1766","0.1802","","","","","","1.071","","","","has coordinates","284174","2023-06-05","03:35:25",""
"7131556","7.5781","0.0003","25.7071","0.0009","14.971","0.0005","90","","104.588","0.004","90","","2822.49","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","LKI0838a_10","","- C38 H14 F10 N4 -","- C38 H14 F10 N4 -","- C152 H56 F40 N16 -","4","1","","Kielesiński, Łukasz; Summa, Francesco F.; Conradie, Jeanet; Honig, Hilah C.; Friedman, Ariel; Monaco, Gugliemo; Elbaz, Lior; Ghosh, Abhik; Gryko, Daniel T.","Nonaromatic naphthocorroles.","Chemical communications (Cambridge, England)","2023","59","36","5439","5442","10.1039/d3cc01083j","","","1.54184","CuKα","","0.0801","0.0737","","","0.1467","0.1493","","","","","","1.22","","","","has coordinates,has disorder","283112","2023-05-05","00:31:20",""
"7131557","23.859","0.005","23.456","0.005","20.743","0.004","90","","90","","90","","11609","4","170","","170","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C57 H61 B Cl F6 O1.75 P5 Pt -","- C57 H61 B Cl F6 O1.75 P5 Pt -","- C456 H488 B8 Cl8 F48 O14 P40 Pt8 -","8","1","","Wehmeyer, Frerk-Ulfert; Langer, Robert","A hampered oxidative addition of pre-coordinated pincer ligands can favour alternative pathways of activation.","Chemical communications (Cambridge, England)","2023","59","40","6004","6007","10.1039/d3cc00874f","","","0.71073","MoKα","","0.0884","0.051","","","0.1246","0.1424","","","","","","1.022","","","","has coordinates,has disorder","284200","2023-06-05","03:45:55",""
"7131558","11.728","0.002","26.813","0.005","17.242","0.003","90","","102.88","0.03","90","","5285.5","1.7","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H50 B F6 P5 Pt -","- C53.5 H50 B F6 P5 Pt -","- C214 H200 B4 F24 P20 Pt4 -","4","1","","Wehmeyer, Frerk-Ulfert; Langer, Robert","A hampered oxidative addition of pre-coordinated pincer ligands can favour alternative pathways of activation.","Chemical communications (Cambridge, England)","2023","59","40","6004","6007","10.1039/d3cc00874f","","","0.71073","MoKα","","0.0693","0.0591","","","0.1385","0.1456","","","","","","1.103","","","","has coordinates","284200","2023-06-05","03:45:55",""
"7131559","9.824","0.005","14.724","0.009","17.133","0.01","90","","90","","90","","2478","2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br Cl2 N2 O3 -","- C28 H20 Br Cl2 N2 O3 -","- C112 H80 Br4 Cl8 N8 O12 -","4","1","","Ji, Hong; Zou, Juan; Mou, Chengli; Liu, Yonggui; Ren, Shi-Chao; Chi, Yonggui Robin","NHC-catalyzed [12+2] reaction of polycyclic arylaldehydes for access to indole derivatives.","Chemical communications (Cambridge, England)","2023","59","42","6351","6354","10.1039/d3cc00999h","","","1.54178","CuKα","","0.1068","0.0911","","","0.2399","0.2537","","","","","","1.094","","","","has coordinates","284190","2023-06-05","03:42:04",""
"7131560","6.2791","0.0001","26.416","0.0006","8.3767","0.0002","90","","109.284","0.001","90","","1311.48","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","((1R,2R)-2-Methoxycyclobutyl)methyl 4-nitrobenzoate","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","","Thai-Savard, Léa; Charette, André B","Synthesis of 2-substituted bicyclo[1.1.0]butanes <i>via</i> zincocyclopropanation using bromoform as the carbenoid precursor.","Chemical communications (Cambridge, England)","2023","59","35","5273","5276","10.1039/d3cc00335c","","x-ray","1.54178","CuKα","","0.0516","0.0494","","","0.1235","0.125","","","","","","1.084","","","","has coordinates,has disorder","283125","2023-05-05","00:36:16",""
"7131561","15.3404","0.0006","5.5177","0.0002","21.3195","0.0008","90","","97.548","0.002","90","","1788.93","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C84 H92 N12 O8 -","4","1","","Thai-Savard, Léa; Charette, André B","Synthesis of 2-substituted bicyclo[1.1.0]butanes <i>via</i> zincocyclopropanation using bromoform as the carbenoid precursor.","Chemical communications (Cambridge, England)","2023","59","35","5273","5276","10.1039/d3cc00335c","","x-ray","1.34139","GaKα","","0.0551","0.0379","","","0.0936","0.1021","","","","","","1.054","","","","has coordinates","283125","2023-05-05","00:36:20",""
"7131562","7.9768","0.0002","29.4996","0.0006","23.6631","0.0005","90","","90","","90","","5568.2","0.2","113","","113","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H28 N2 O8 -","- C30 H28 N2 O8 -","- C240 H224 N16 O64 -","8","1","","Oketani, Ryusei; Shiohara, Koki; Hisaki, Ichiro","Overcoming a solid solution system on chiral resolution: combining crystallization and enantioselective dissolution.","Chemical communications (Cambridge, England)","2023","59","41","6175","6178","10.1039/d3cc01352a","","x-ray","0.71073","MoKα","","0.0963","0.0713","","","0.1557","0.1664","","","","","","1.055","","","","has coordinates,has disorder","284179","2023-06-05","03:37:52",""
"7131563","10.9156","0.0007","10.9156","0.0007","26.8948","0.0018","90","","90","","120","","2775.2","0.3","100","2","100","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","- C24 H72 As12 Au6 Cl2 N2 Na6 O54 Pt4 -","2","0.166667","","Zhang, Jiayao; Bhattacharya, Saurav; Müller, Anja B; Kiss, Levente; Silvestru, Cristian; Kuhnert, Nikolai; Kortz, Ulrich","Mixed noble metal-oxo clusters: platinum(IV)-gold(III) oxoanion [Pt<sup>IV</sup><sub>2</sub>Au<sup>III</sup><sub>3</sub>O<sub>6</sub>((CH<sub>3</sub>)<sub>2</sub>AsO<sub>2</sub>)<sub>6</sub>]<sup/>.","Chemical communications (Cambridge, England)","2023","59","39","5918","5921","10.1039/d3cc00243h","","","0.71073","MoKα","","0.0331","0.0274","","","0.0685","0.0723","","","","","","0.891","","","","has coordinates,has disorder","284192","2023-06-05","03:42:33",""
"7131564","10.933","0.003","10.933","0.003","20.585","0.005","90","","90","","120","","2130.9","1","100","2","100","2","","","","","","","","9","P -6","P -6","174","","","","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","- C12 H36 As6 Au3 Cl N Na3 O27 Pt2 -","1","0.166667","","Zhang, Jiayao; Bhattacharya, Saurav; Müller, Anja B; Kiss, Levente; Silvestru, Cristian; Kuhnert, Nikolai; Kortz, Ulrich","Mixed noble metal-oxo clusters: platinum(IV)-gold(III) oxoanion [Pt<sup>IV</sup><sub>2</sub>Au<sup>III</sup><sub>3</sub>O<sub>6</sub>((CH<sub>3</sub>)<sub>2</sub>AsO<sub>2</sub>)<sub>6</sub>]<sup/>.","Chemical communications (Cambridge, England)","2023","59","39","5918","5921","10.1039/d3cc00243h","","","0.71073","MoKα","","0.0713","0.0606","","","0.1538","0.1632","","","","","","1.061","","","","has coordinates","284192","2023-06-05","03:42:33",""
"7131565","13.5559","0.0016","14.1105","0.0016","16.6726","0.0019","75.614","0.003","66.913","0.003","85.534","0.003","2841.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H64 As7 Au3 Cl K3 O31 Pt2 -","- C14 H64 As7 Au3 Cl K3 O31 Pt2 -","- C28 H128 As14 Au6 Cl2 K6 O62 Pt4 -","2","1","","Zhang, Jiayao; Bhattacharya, Saurav; Müller, Anja B; Kiss, Levente; Silvestru, Cristian; Kuhnert, Nikolai; Kortz, Ulrich","Mixed noble metal-oxo clusters: platinum(IV)-gold(III) oxoanion [Pt<sup>IV</sup><sub>2</sub>Au<sup>III</sup><sub>3</sub>O<sub>6</sub>((CH<sub>3</sub>)<sub>2</sub>AsO<sub>2</sub>)<sub>6</sub>]<sup/>.","Chemical communications (Cambridge, England)","2023","59","39","5918","5921","10.1039/d3cc00243h","","","0.71073","MoKα","","0.0785","0.049","","","0.1077","0.1212","","","","","","0.969","","","","has coordinates,has disorder","284192","2023-06-05","03:42:33",""
"7131566","12.1041","0.001","11.5162","0.0009","10.8177","0.0008","90","","95.407","0.007","90","","1501.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Hindle, Alexandra; Baj, Krzysztof; Iggo, Jonathan A.; Cox, Daniel J.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Modular synthesis of bicyclic twisted amides and anilines.","Chemical communications (Cambridge, England)","2023","59","41","6239","6242","10.1039/d3cc01470c","","x-ray","0.71073","MoKα","","0.0913","0.0628","","","0.1184","0.1305","","","","","","1.087","","","","has coordinates","284181","2023-06-05","03:39:35",""
"7131567","15.936","0.003","18.3877","0.0014","21.801","0.003","90","","104.97","0.01","90","","6171.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 N18 O26 Zn -","- C52 H46 N18 O14 Zn -","- C208 H184 N72 O56 Zn4 -","4","1","","Wu, Weijie; Xu, Yinghao; Wang, Shoujun; Pang, Qingqing; Liu, Simin","Metal-organic rotaxane frameworks constructed from a cucurbit[8]uril-based ternary complex for the selective detection of antibiotics.","Chemical communications (Cambridge, England)","2023","59","39","5890","5893","10.1039/d3cc00950e","","","1.34138","GaKα","","0.0715","0.0609","","","0.1819","0.1899","","","","","","1.076","","","","has coordinates,has disorder","284194","2023-06-05","03:43:10",""
"7131568","15.0854","0.0005","15.8414","0.0006","16.6026","0.0006","77.578","0.002","73.354","0.002","78.418","0.001","3671","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H90 Cd N18 O37 -","- C51 H48 Cd N18 O16 -","- C102 H96 Cd2 N36 O32 -","2","1","","Wu, Weijie; Xu, Yinghao; Wang, Shoujun; Pang, Qingqing; Liu, Simin","Metal-organic rotaxane frameworks constructed from a cucurbit[8]uril-based ternary complex for the selective detection of antibiotics.","Chemical communications (Cambridge, England)","2023","59","39","5890","5893","10.1039/d3cc00950e","","","1.34138","GaKα","","0.0611","0.0507","","","0.1622","0.1676","","","","","","1.06","","","","has coordinates","284194","2023-06-05","03:43:10",""
"7131569","8.8279","0.0009","11.8609","0.0012","13.5405","0.0013","68.435","0.004","73.562","0.003","72.877","0.004","1235.5","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Cl N O2 -","- C34 H22 Cl N O2 -","- C68 H44 Cl2 N2 O4 -","2","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0661","0.0578","","","0.2117","0.2241","","","","","","1.023","","","","has coordinates","284849","2023-07-05","08:53:47",""
"7131570","9.8267","0.0012","9.9692","0.0011","24.995","0.003","90","","90","","90","","2448.6","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H25 N O -","- C35 H25 N O -","- C140 H100 N4 O4 -","4","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0378","0.0377","","","0.0928","0.0929","","","","","","1.142","","","","has coordinates","284849","2023-07-05","08:53:55",""
"7131571","10.6943","0.0005","11.3031","0.0006","12.5505","0.0006","70.572","0.001","89.851","0.001","66.309","0.001","1294.96","0.11","101","","101","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O2 -","- C36 H25 N O2 -","- C72 H50 N2 O4 -","2","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0495","0.0492","","","0.1218","0.122","","","","","","1.038","","","","has coordinates","284849","2023-07-05","08:54:01",""
"7131572","11.7008","0.0002","13.1668","0.0003","17.7959","0.0003","90","","106.25","0.001","90","","2632.14","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Br N O2 -","- C34 H22 Br N O2 -","- C136 H88 Br4 N4 O8 -","4","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0328","0.0325","","","0.085","0.0853","","","","","","1.069","","","","has coordinates","284849","2023-07-05","08:54:11",""
"7131573","8.8451","0.0002","11.9809","0.0003","13.3608","0.0003","65.259","0.001","74.789","0.001","73.152","0.001","1214.4","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N O2 -","- C34 H23 N O2 -","- C68 H46 N2 O4 -","2","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","","1.54178","CuKα","","0.0529","0.0508","","","0.1333","0.1354","","","","","","1.057","","","","has coordinates","284849","2023-07-05","08:54:15",""
"7131574","15.3583","0.001","13.3106","0.0009","23.5375","0.0016","90","","90","","90","","4811.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H29 Cl N O Rh -","- C30 H29 Cl N O Rh -","- C240 H232 Cl8 N8 O8 Rh8 -","8","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0432","0.0421","","","0.1006","0.1014","","","","","","1.133","","","","has coordinates","284849","2023-07-05","08:54:19",""
"7131575","21.0745","0.0007","12.0391","0.0004","9.3014","0.0003","90","","107.027","0.003","90","","2256.49","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N3 O8 -","- C20 H23 N3 O8 -","- C80 H92 N12 O32 -","4","1","","Mo, Nan-Nan; Miao, Yu-Hang; Xiao, Xiao; Hua, Yuan-Zhao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian","Catalytic asymmetric <i>de novo</i> construction of 4-pyrrolin-2-ones <i>via</i> intermolecular formal [3+2] cycloaddition of azoalkenes with azlactones.","Chemical communications (Cambridge, England)","2023","59","39","5902","5905","10.1039/d3cc01194a","","x-ray","1.54184","CuKα","","0.0439","0.0403","","","0.1102","0.1161","","","","","","1.037","","","","has coordinates,has disorder","284196","2023-06-05","03:43:36",""
"7131576","8.3042","0.0004","11.0182","0.0005","14.6172","0.0007","105.403","0.003","96.905","0.003","95.29","0.003","1269.23","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N O8 S Si -","- C24 H33 N O8 S Si -","- C48 H66 N2 O16 S2 Si2 -","2","1","","Schifferer, Lukas; Hoppmann, Leon; Groeters, Robin; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; García Mancheño, Olga","Divergent access to fused <i>N</i>-heterocycle-thiazolines by solvent-dependent reaction of isoquinolinium thiolates with silylketene acetals.","Chemical communications (Cambridge, England)","2023","59","40","6032","6035","10.1039/d3cc00781b","","single crystal","1.54178","CuKα","","0.1022","0.0627","","","0.1467","0.171","","","","","","1.031","","","","has coordinates","284197","2023-06-05","03:44:15",""
"7131577","13.824","0.003","19.701","0.005","9.478","0.002","90","","101.577","0.004","90","","2528.8","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","","Rao, Qian; Zhang, Yin; Liu, Yin-Ping; Jiang, Bo; Wang, Xiang; Tu, Shu-Jiang; Hao, Wen-Juan","Azofuran activation for annulative rearrangement enabled by gold(I)/Brønsted acid relay catalysis.","Chemical communications (Cambridge, England)","2023","59","38","5725","5728","10.1039/d3cc00531c","","","0.71073","MoKα","","0.0945","0.0545","","","0.1489","0.1719","","","","","","1.036","","","","has coordinates","284204","2023-06-05","03:47:42",""
"7131578","11.195","0.0003","18.3322","0.0004","19.4142","0.0005","90","","105.076","0.001","90","","3847.22","0.17","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25 B Cl2 F15 N2 P -","- C40 H25 B Cl2 F15 N2 P -","- C160 H100 B4 Cl8 F60 N8 P4 -","4","1","","Hussain, Zahid; Luo, Yong-An; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactivity of frustrated Lewis pairs with BOC protected diazocarboxylates: FLP capture of diazene.","Chemical communications (Cambridge, England)","2023","59","41","6191","6194","10.1039/d3cc01571h","","","1.54178","CuKα","","0.0502","0.048","","","0.1361","0.138","","","","","","1.04","","","","has coordinates,has disorder","284180","2023-06-05","03:38:18",""
"7131579","12.0364","0.0006","12.5026","0.0005","15.3806","0.0006","77.149","0.002","78.57","0.003","72.546","0.003","2131.08","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H57 B2 F30 N4 O4 -","- C93 H57 B2 F30 N4 O4 -","- C93 H57 B2 F30 N4 O4 -","1","0.5","","Hussain, Zahid; Luo, Yong-An; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactivity of frustrated Lewis pairs with BOC protected diazocarboxylates: FLP capture of diazene.","Chemical communications (Cambridge, England)","2023","59","41","6191","6194","10.1039/d3cc01571h","","","1.54178","CuKα","","0.1015","0.0696","","","0.2028","0.2392","","","","","","1.002","","","","has coordinates","284180","2023-06-05","03:38:28",""
"7131580","18.0505","0.0004","21.0295","0.0005","9.8168","0.0002","90","","90","","90","","3726.39","0.14","150","","150","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C31.5 H29 B Cl F15 N O2 P -","- C31.5 H29 B Cl F15 N O2 P -","- C126 H116 B4 Cl4 F60 N4 O8 P4 -","4","1","","Hussain, Zahid; Luo, Yong-An; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactivity of frustrated Lewis pairs with BOC protected diazocarboxylates: FLP capture of diazene.","Chemical communications (Cambridge, England)","2023","59","41","6191","6194","10.1039/d3cc01571h","","","1.54178","CuKα","","0.0589","0.0478","","","0.1164","0.1224","","","","","","1.022","","","","has coordinates","284180","2023-06-05","03:38:32",""
"7131581","13.2472","0.0004","18.1497","0.0006","18.8421","0.0006","99.604","0.002","106.074","0.002","93.126","0.002","4267.8","0.2","302","","302","","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H31.75 B F15 N2.25 O2 P -","- C44.5 H31.75 B F15 N2.25 O2 P -","- C178 H127 B4 F60 N9 O8 P4 -","4","2","","Hussain, Zahid; Luo, Yong-An; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactivity of frustrated Lewis pairs with BOC protected diazocarboxylates: FLP capture of diazene.","Chemical communications (Cambridge, England)","2023","59","41","6191","6194","10.1039/d3cc01571h","","","1.54178","CuKα","","0.1588","0.1101","","","0.272","0.3298","","","","","","0.963","","","","has coordinates","284180","2023-06-05","03:38:47",""
"7131582","16.38","0.003","6.0768","0.0012","18.447","0.004","90","","93.389","0.009","90","","1833","0.6","300","2","300.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20 F3 N3 O4 -","- C16 H20 F3 N3 O4 -","- C64 H80 F12 N12 O16 -","4","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.1229","0.0596","","","0.1572","0.195","","","","","","0.997","","","","has coordinates","284199","2023-06-05","03:45:32",""
"7131583","9.5736","0.0009","8.788","0.0007","11.6294","0.0011","90","","106.122","0.004","90","","939.94","0.15","299","2","298.74","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N3 O6 -","- C16 H25 N3 O6 -","- C32 H50 N6 O12 -","2","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.0763","0.0393","","","0.0867","0.1053","","","","","","1.021","","","","has coordinates","284199","2023-06-05","03:45:35",""
"7131584","8.364","0.0003","10.6149","0.0005","17.5618","0.0009","90","","90","","90","","1559.19","0.12","299.99","","299.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.0761","0.0401","","","0.0904","0.1141","","","","","","1.1213","","","","has coordinates","284199","2023-06-05","03:45:35",""
"7131585","6.8839","0.0004","14.6506","0.0011","16.5975","0.0012","90","","90","","90","","1673.9","0.2","297.42","","297.42","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.1563","0.0495","","","0.1235","0.199","","","","","","1.1442","","","","has coordinates,has disorder","284199","2023-06-05","03:45:35",""
"7131586","8.0233","0.0001","8.8028","0.0002","9.6509","0.0001","71.076","0.001","86.281","0.001","77.279","0.001","628.935","0.018","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu2 N2 O10 -","- C20 H34 Cu2 N2 O10 -","- C20 H34 Cu2 N2 O10 -","1","0.5","","Adiyeri Saseendran, Devi Prasad; Fischer, Jörg W A; Müller, Lea; Abbott, Daniel F.; Mougel, Victor; Jeschke, Gunnar; Triana, Carlos A.; Patzke, Greta R.","Copper(II) defect-cubane water oxidation electrocatalysts: from molecular tetramers to oxidic nanostructures.","Chemical communications (Cambridge, England)","2023","59","39","5866","5869","10.1039/d3cc01005h","","x-ray","0.71073","MoKα","","0.031","0.0247","","","0.0642","0.0662","","","","","","1.062","","","","has coordinates","284191","2023-06-05","03:42:17",""
"7131587","9.1569","0.0001","31.5203","0.0003","11.7807","0.0001","90","","97.859","0.001","90","","3368.31","0.06","160","0.1","160","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H180 Cl4 Cu8 N12 O45 -","- C104 H180 Cl4 Cu8 N12 O45 -","- C104 H180 Cl4 Cu8 N12 O45 -","1","0.25","","Adiyeri Saseendran, Devi Prasad; Fischer, Jörg W A; Müller, Lea; Abbott, Daniel F.; Mougel, Victor; Jeschke, Gunnar; Triana, Carlos A.; Patzke, Greta R.","Copper(II) defect-cubane water oxidation electrocatalysts: from molecular tetramers to oxidic nanostructures.","Chemical communications (Cambridge, England)","2023","59","39","5866","5869","10.1039/d3cc01005h","","x-ray","1.54184","CuKα","","0.0424","0.036","","","0.1072","0.1113","","","","","","1.049","","","","has coordinates,has disorder","284191","2023-06-05","03:42:18",""
"7131588","8.8175","0.0006","10.9007","0.0008","11.0914","0.0009","91.044","0.003","101.16","0.002","98.536","0.002","1033.11","0.13","140","","140","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C50 H48 N4 O8 -","2","1","","Khot, Nandkishor Prakash; Nagtilak, Prajyot Jayadev; Deo, Nitish Kumar; Kapur, Manmohan","A three component 1,3-difunctionalization of vinyl diazo esters enabled by a cobalt catalyzed C-H activation/carbene migratory insertion.","Chemical communications (Cambridge, England)","2023","59","40","6076","6079","10.1039/d3cc00295k","","","0.71073","MoKα","","0.0768","0.0548","","","0.13","0.1475","","","","","","1.0419","","","","has coordinates","284198","2023-06-05","03:44:36",""
"7131589","9.1816","0.0005","23.6417","0.0012","10.0047","0.0005","90","","102.444","0.002","90","","2120.69","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","","Luo, Yang; Grossman, Robert B.; Nie, Xiao-Bin; Yang, Xing-Wei","Total synthesis and structural reassignment of garcinielliptone FC, a polycyclic polyprenylated acylphloroglucinol with diverse bioactivity.","Chemical communications (Cambridge, England)","2023","59","41","6215","6218","10.1039/d3cc01268a","","","1.54178","CuKα","","0.1086","0.0786","","","0.2113","0.2536","","","","","","1.114","","","","has coordinates","284178","2023-06-05","03:37:33",""
"7131590","8.2282","0.0003","14.8841","0.0007","14.9762","0.0005","90","","101.424","0.003","90","","1797.79","0.12","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cl2 N2 O2 -","- C48 H32 Cl2 N2 O2 -","- C96 H64 Cl4 N4 O4 -","2","0.5","","Gore, Babasaheb Sopan; Wang, Jeh-Jeng","Visible-light-induced oxidant/additive-free atom-economic synthesis of multifunctionalized cyclopropanes <i>via</i> energy transfer.","Chemical communications (Cambridge, England)","2023","59","39","5878","5881","10.1039/d3cc01021j","","x-ray","0.71073","MoKα","","0.0414","0.0362","","","0.0843","0.0863","","","","","","1.056","","","","has coordinates","284193","2023-06-05","03:42:47",""
"7131591","16.1917","0.0002","13.3905","0.0002","24.2721","0.0004","90","","105.782","0.002","90","","5064.17","0.14","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C256 H240 O32 -","8","1","","Gore, Babasaheb Sopan; Wang, Jeh-Jeng","Visible-light-induced oxidant/additive-free atom-economic synthesis of multifunctionalized cyclopropanes <i>via</i> energy transfer.","Chemical communications (Cambridge, England)","2023","59","39","5878","5881","10.1039/d3cc01021j","","x-ray","0.71073","MoKα","","0.037","0.034","","","0.0878","0.0897","","","","","","1.052","","","","has coordinates","284193","2023-06-05","03:42:47",""
"7131592","7.5385","0.0002","12.8334","0.0003","18.9919","0.0003","90","","98.438","0.002","90","","1817.47","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","Gore, Babasaheb Sopan; Wang, Jeh-Jeng","Visible-light-induced oxidant/additive-free atom-economic synthesis of multifunctionalized cyclopropanes <i>via</i> energy transfer.","Chemical communications (Cambridge, England)","2023","59","39","5878","5881","10.1039/d3cc01021j","","x-ray","0.71073","MoKα","","0.0545","0.0424","","","0.1054","0.1124","","","","","","1.077","","","","has coordinates","284193","2023-06-05","03:42:47",""
"7131593","16.1546","0.0003","5.9286","0.0001","16.4487","0.0003","90","","94.338","0.002","90","","1570.85","0.05","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Gore, Babasaheb Sopan; Wang, Jeh-Jeng","Visible-light-induced oxidant/additive-free atom-economic synthesis of multifunctionalized cyclopropanes <i>via</i> energy transfer.","Chemical communications (Cambridge, England)","2023","59","39","5878","5881","10.1039/d3cc01021j","","x-ray","0.71073","MoKα","","0.04","0.0362","","","0.0898","0.0929","","","","","","1.084","","","","has coordinates","284193","2023-06-05","03:42:47",""
"7131594","10.025","0.0012","9.5951","0.0011","14.1127","0.0017","90","","93.226","0.004","90","","1355.4","0.3","100.03","","100.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenyldiphenylphosphine oxide","","- C18 H13 O P -","- C18 H13 O P -","- C72 H52 O4 P4 -","4","1","","Koellner, Connor A.; Reid, Amelia G.; Machan, Charles W.","Co-electrocatalytic CO<sub>2</sub> reduction mediated by a dibenzophosphole oxide and a chromium complex.","Chemical communications (Cambridge, England)","2023","59","42","6359","6362","10.1039/d3cc00166k","","x-ray","0.71073","MoKα","","0.0842","0.0461","","","0.0951","0.1096","","","","","","1.026","","","","has coordinates","284188","2023-06-05","03:41:44",""
"7131595","18.4911","0.0016","8.063","0.0007","15.8001","0.0011","90","","96.727","0.007","90","","2339.5","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N2 -","- C24 H48 N2 -","- C96 H192 N8 -","4","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mandal, Debdeep; Das, Ayan; Ramakrishnan, Raghunathan; Mote, Kaustubh R.; Schulzke, Carola; Yildiz, Cem Burak; Jana, Anukul","Reduction of 2-<i>H</i>-substituted pyrrolinium cations: the carbon-carbon single bond in air stable 2,2'-bipyrrolidines as a two-electron-source.","Chemical communications (Cambridge, England)","2023","59","44","6698","6701","10.1039/d3cc00891f","","","0.71073","MoKα","","0.1189","0.0755","","","0.1825","0.1996","","","","","","1.079","","","","has coordinates","284171","2023-06-05","03:34:39",""
"7131596","19.98","0.002","9.5392","0.0008","20.618","0.003","90","","115.474","0.015","90","","3547.6","0.8","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 N2 -","- C40 H64 N2 -","- C160 H256 N8 -","4","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mandal, Debdeep; Das, Ayan; Ramakrishnan, Raghunathan; Mote, Kaustubh R.; Schulzke, Carola; Yildiz, Cem Burak; Jana, Anukul","Reduction of 2-<i>H</i>-substituted pyrrolinium cations: the carbon-carbon single bond in air stable 2,2'-bipyrrolidines as a two-electron-source.","Chemical communications (Cambridge, England)","2023","59","44","6698","6701","10.1039/d3cc00891f","","","0.71073","MoKα","","0.0855","0.0598","","","0.1539","0.1703","","","","","","1.036","","","","has coordinates","284171","2023-06-05","03:34:40",""
"7131597","9.2544","0.0002","9.7531","0.0002","30.479","0.0009","89.135","0.002","88.15","0.002","74.562","0.002","2650.31","0.11","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 I2 N2 O8 S4 -","- C56 H48 I2 N2 O8 S4 -","- C112 H96 I4 N4 O16 S8 -","2","1","","Mutra, Mohana Reddy; Li, Jing; Wang, Jeh-Jeng","Light-mediated sulfonyl-iodination of ynamides and internal alkynes.","Chemical communications (Cambridge, England)","2023","59","43","6584","6587","10.1039/d3cc00842h","","x-ray","0.71073","MoKα","","0.0591","0.0532","","","0.1049","0.1063","","","","","","1.274","","","","has coordinates","284184","2023-06-05","03:40:50",""
"7131598","7.9819","0.0001","9.8435","0.0001","13.6204","0.0002","82.881","0.001","74.573","0.001","74.145","0.001","990.83","0.02","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 I O4 S -","- C22 H17 I O4 S -","- C44 H34 I2 O8 S2 -","2","1","","Mutra, Mohana Reddy; Li, Jing; Wang, Jeh-Jeng","Light-mediated sulfonyl-iodination of ynamides and internal alkynes.","Chemical communications (Cambridge, England)","2023","59","43","6584","6587","10.1039/d3cc00842h","","x-ray","0.71073","MoKα","","0.0207","0.0196","","","0.046","0.0467","","","","","","1.074","","","","has coordinates","284184","2023-06-05","03:40:52",""
"7131599","6.788","0.0002","12.1573","0.0002","13.6372","0.0003","96.973","0.002","96.425","0.002","102.531","0.002","1079.3","0.05","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 I O4 S2 -","- C22 H19 I O4 S2 -","- C44 H38 I2 O8 S4 -","2","1","","Mutra, Mohana Reddy; Li, Jing; Wang, Jeh-Jeng","Light-mediated sulfonyl-iodination of ynamides and internal alkynes.","Chemical communications (Cambridge, England)","2023","59","43","6584","6587","10.1039/d3cc00842h","","x-ray","0.71073","MoKα","","0.0342","0.031","","","0.0789","0.0809","","","","","","1.059","","","","has coordinates","284184","2023-06-05","03:40:52",""
"7131600","8.5557","0.0004","10.3154","0.0005","29.9202","0.0016","93.058","0.004","96.826","0.004","104.064","0.004","2534","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 I2 N2 O8 S4 -","- C50 H52 I2 N2 O8 S4 -","- C100 H104 I4 N4 O16 S8 -","2","1","","Mutra, Mohana Reddy; Li, Jing; Wang, Jeh-Jeng","Light-mediated sulfonyl-iodination of ynamides and internal alkynes.","Chemical communications (Cambridge, England)","2023","59","43","6584","6587","10.1039/d3cc00842h","","x-ray","0.71073","MoKα","","0.1546","0.0909","","","0.1998","0.2356","","","","","","1.028","","","","has coordinates,has disorder","284184","2023-06-05","03:40:52",""
"7131601","20.6821","0.0017","14.2922","0.0012","5.8697","0.0004","90","","92.44","0.002","90","","1733.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Cui, Wenwen; Guo, Guoju; Wang, Yifei; Song, Xiuyan; Lv, Jian; Yang, Daoshan","Visible light/copper catalysis enabled alkylation of silyl enol ethers with arylsulfonium salts.","Chemical communications (Cambridge, England)","2023","59","42","6367","6370","10.1039/d3cc01056b","","","0.71073","MoKα","","0.2016","0.0792","","","0.1191","0.1424","","","","","","1.063","","","","has coordinates","284186","2023-06-05","03:41:17",""
"7131602","10.5205","0.001","21.234","0.002","10.031","0.0009","90","","90.914","0.004","90","","2240.6","0.4","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N4 O -","- C26 H30 N4 O -","- C104 H120 N16 O4 -","4","1","","Kong, Lingheng; Han, Xi; Hu, Panjie; Wang, Fen; Li, Xingwei","Three-component regioselective carboamidation of 1,3-enynes <i>via</i> rhodium(III)-catalyzed C-H activation.","Chemical communications (Cambridge, England)","2023","59","44","6690","6693","10.1039/d3cc01666h","","","1.54178","CuKα","","0.0752","0.0409","","","0.1066","0.1259","","","","","","1.065","","","","has coordinates","284169","2023-06-05","03:32:54",""
"7131603","9.9949","0.0013","8.8643","0.0011","14.6922","0.0019","90","","107.946","0.004","90","","1238.4","0.3","211","","211","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N4 O -","- C28 H28 N4 O -","- C56 H56 N8 O2 -","2","1","","Kong, Lingheng; Han, Xi; Hu, Panjie; Wang, Fen; Li, Xingwei","Three-component regioselective carboamidation of 1,3-enynes <i>via</i> rhodium(III)-catalyzed C-H activation.","Chemical communications (Cambridge, England)","2023","59","44","6690","6693","10.1039/d3cc01666h","","","1.54178","CuKα","","0.1052","0.035","","","0.0963","0.1299","","","","","","1.142","","","","has coordinates","284169","2023-06-05","03:32:54",""
"7131604","13.2745","0.0004","13.7262","0.0003","22.639","0.0006","86.4949","0.0014","76.8746","0.0014","72.0005","0.0013","3820.46","0.18","90","2","90","","","","","","","","","4","P -1","-P 1","2","","Hexa-((bis-trimethylsilyl)methyl)-hexa-stannane","","- C42 H114 Si12 Sn6 -","- C42 H114 Si12 Sn6 -","- C84 H228 Si24 Sn12 -","2","1","","Mears, Kristian L.; Ruiz, Bronson; Nguyen, Gia-Ann; Zou, Wenxing; Fettinger, James C.; Power, Philip P.","Disproportionation of Sn(II){CH(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub> to ˙Sn(III){CH(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub> and ˙Sn(I){CH(SiMe<sub>3</sub>)<sub>2</sub>}: characterization of the Sn(I) product.","Chemical communications (Cambridge, England)","2023","59","42","6399","6402","10.1039/d3cc01542d","","","0.71073","MoKα","","0.0411","0.0314","","","0.0697","0.0739","","","","","","1.034","","","","has coordinates,has disorder","284189","2023-06-05","03:41:54",""
"7131605","30.888","0.015","15.243","0.008","10.929","0.006","90","","90","","90","","5146","5","260","2","260","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H54 Cu4 I6 O13 Rb2 -","- C27 H54 Cu4 I6 O13 Rb2 -","- C108 H216 Cu16 I24 O52 Rb8 -","4","0.5","","Almushaikeh, Alaa M.; Wang, Hong; Gutiérrez-Arzaluz, Luis; Yin, Jun; Huang, Ren-Wu; Bakr, Osman M.; Mohammed, Omar F.","Zero-dimensional Cu(I)-based organometallic halide with green cluster-centred emission for high resolution X-ray imaging screens.","Chemical communications (Cambridge, England)","2023","59","30","4447","4450","10.1039/d3cc00730h","","x-ray","0.71073","MoKα","","0.0713","0.0383","","","0.0693","0.0905","","","","","","1.089","","","","has coordinates,has disorder","282968","2023-05-03","23:12:16",""
"7131606","11.0621","0.0006","13.6834","0.0007","15.7489","0.0008","77.7324","0.0008","71.3068","0.0014","68.6923","0.0013","2091.27","0.19","183","2","183","2","","","","","","","","6","P 1","P 1","1","","","","- C88 H86 Cl3 N9 O18 Zn2 -","- C88 H86 Cl3 N9 O18 Zn2 -","- C88 H86 Cl3 N9 O18 Zn2 -","1","1","","Penasa, Roberto; Begato, Federico; Licini, Giulia; Wurst, Klaus; Abbate, Sergio; Longhi, Giovanna; Zonta, Cristiano","Fluorescence detected circular dichroism (FDCD) of a stereodynamic probe.","Chemical communications (Cambridge, England)","2023","59","44","6714","6717","10.1039/d3cc01249b","","","0.71073","MoKα","","0.0468","0.0418","","","0.0977","0.1007","","","","","","1.034","","","","has coordinates","284168","2023-06-05","03:29:51",""
"7131607","8.5935","0.0008","10.4364","0.0009","10.8779","0.0009","90","","94.61","0.003","90","","972.43","0.15","296.15","","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H14 Br2 F6 N2 O3 -","- C16 H14 Br2 F6 N2 O3 -","- C32 H28 Br4 F12 N4 O6 -","2","1","","Luo, Xian; Xu, Meng-Meng; Xu, Xiao-Ping; Ji, Shun-Jun","NBS-induced intramolecular annulation reactions for the divergent synthesis of fused- and spirocyclic indolines.","Chemical communications (Cambridge, England)","2023","59","43","6576","6579","10.1039/d3cc01920a","","","0.71073","MoKα","","0.065","0.0427","","","0.0988","0.1087","","","","","","1.037","","","","has coordinates","284182","2023-06-05","03:40:03",""
"7131608","11.1831","0.0013","11.7646","0.0014","12.1011","0.0015","90","","103.533","0.003","90","","1547.9","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O2 -","- C18 H15 F N2 O2 -","- C72 H60 F4 N8 O8 -","4","1","","Luo, Xian; Xu, Meng-Meng; Xu, Xiao-Ping; Ji, Shun-Jun","NBS-induced intramolecular annulation reactions for the divergent synthesis of fused- and spirocyclic indolines.","Chemical communications (Cambridge, England)","2023","59","43","6576","6579","10.1039/d3cc01920a","","","0.71073","MoKα","","0.1698","0.0583","","","0.1233","0.1541","","","","","","1.01","","","","has coordinates","284182","2023-06-05","03:40:06",""
"7131609","13.316","0.003","13.775","0.003","14.849","0.003","107.422","0.004","101.816","0.004","95.038","0.004","2511.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H0.5 N6 O12 Zn2.5 -","- C28 H14 N6 O12 Zn2.5 -","- C56 H28 N12 O24 Zn5 -","2","1","","Yang, Fan; Xue, Juan-Juan; Lei, Guang-Ping; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Efficient C<sub>2</sub>H<sub>2</sub>-selective separation in a microporous Zn(II)-based metal-organic framework <i>via</i> the dual-ligand strategy.","Chemical communications (Cambridge, England)","2023","59","42","6403","6406","10.1039/d3cc01566a","","","0.71073","MoKα","","0.0931","0.0587","","","0.154","0.171","","","","","","0.975","","","","has coordinates","284187","2023-06-05","03:41:33",""
"7131610","10.7134","0.0005","12.6341","0.0006","10.023","0.0005","90","","107.382","0.002","90","","1294.7","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C72 H48 N4 O4 -","2","0.5","","Berthe, Mathilde; Kagawa, Yoshiyuki; Riquet, Axel; Hayashi, Takashi; Weiss, Jean; Wytko, Jennifer A.","Remote template effect in the synthesis of bipyridine-strapped porphyrins.","Chemical communications (Cambridge, England)","2023","59","44","6718","6721","10.1039/d3cc01697h","","","0.71073","MoKα","","0.0418","0.0392","","","0.1025","0.1049","","","","","","1.065","","","","has coordinates","284164","2023-06-05","03:23:43",""
"7131611","12.0156","0.0003","15.3535","0.0004","24.3972","0.0006","90","","93.173","0.001","90","","4493.9","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H46 N6 -","- C60 H46 N6 -","- C240 H184 N24 -","4","1","","Berthe, Mathilde; Kagawa, Yoshiyuki; Riquet, Axel; Hayashi, Takashi; Weiss, Jean; Wytko, Jennifer A.","Remote template effect in the synthesis of bipyridine-strapped porphyrins.","Chemical communications (Cambridge, England)","2023","59","44","6718","6721","10.1039/d3cc01697h","","","1.54178","CuKα","","0.0629","0.0578","","","0.1551","0.16","","","","","","1.043","","","","has coordinates,has disorder","284164","2023-06-05","03:23:45",""
"7131612","12.0783","0.0003","13.7262","0.0004","27.7976","0.0008","90","","102.461","0.001","90","","4500","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Cl2 N6 O Zn -","- C58 H40 Cl2 N6 O Zn -","- C232 H160 Cl8 N24 O4 Zn4 -","4","1","","Berthe, Mathilde; Kagawa, Yoshiyuki; Riquet, Axel; Hayashi, Takashi; Weiss, Jean; Wytko, Jennifer A.","Remote template effect in the synthesis of bipyridine-strapped porphyrins.","Chemical communications (Cambridge, England)","2023","59","44","6718","6721","10.1039/d3cc01697h","","","0.71073","MoKα","","0.1015","0.0675","","","0.1777","0.2058","","","","","","1.038","","","","has coordinates","284164","2023-06-05","03:23:48",""
"7131613","13.281","0.0005","13.2984","0.0005","20.8307","0.0008","80.431","0.003","89.27","0.002","79.49","0.002","3566.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H64 Cl2 N8 O2 -","- C91 H64 Cl2 N8 O2 -","- C182 H128 Cl4 N16 O4 -","2","1","","Berthe, Mathilde; Kagawa, Yoshiyuki; Riquet, Axel; Hayashi, Takashi; Weiss, Jean; Wytko, Jennifer A.","Remote template effect in the synthesis of bipyridine-strapped porphyrins.","Chemical communications (Cambridge, England)","2023","59","44","6718","6721","10.1039/d3cc01697h","","","1.54178","CuKα","","0.1651","0.131","","","0.3423","0.3752","","","","","","1.368","","","","has coordinates","284164","2023-06-05","03:23:48",""
"7131614","15.004","0.004","17.383","0.005","28.473","0.008","90","","91.101","0.004","90","","7425","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.85 H58.16 N6.68 O4.66 S0.44 -","- C104.851 H58.156 N6.68 O4.658 S0.442 -","- C419.404 H232.624 N26.72 O18.632 S1.768 -","4","1","","Hashikawa, Yoshifumi; Sadai, Shumpei; Murata, Yasujiro","Bilateral π-extension of an open-[60]fullerene in a helical manner.","Chemical communications (Cambridge, England)","2023","59","43","6560","6563","10.1039/d3cc00784g","","","0.71073","MoKα","","0.0733","0.0519","","","0.1236","0.1388","","","","","","1.017","","","","has coordinates,has disorder","284185","2023-06-05","03:41:07",""
"7131615","13.25","0.02","13.47","0.02","17.15","0.03","82.98","0.05","80.57","0.06","80.95","0.04","2967","8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94.5 H28 N2 O5 S5 -","- C94.5 H28 N2 O5 S5 -","- C189 H56 N4 O10 S10 -","2","1","","Hashikawa, Yoshifumi; Sadai, Shumpei; Murata, Yasujiro","Synthesis of open-[70]fullerenes bearing huge orifices.","Chemical communications (Cambridge, England)","2023","59","48","7387","7390","10.1039/d3cc01717f","","","0.71073","MoKα","","0.1575","0.0949","","","0.2425","0.2812","","","","","","1.078","","","","has coordinates","284867","2023-07-05","09:09:45",""
"7131616","10.8433","0.0006","8.3762","0.0005","25.2432","0.0016","90","","100.313","0.006","90","","2255.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O6 S -","- C24 H21 N3 O6 S -","- C96 H84 N12 O24 S4 -","4","1","","Zhong, Zukang; Liao, Lihua; Liu, Yunyun; Zhang, Ming; Wan, Jie-Ping","Annulation of enaminones with quinonediimides/quinoneimides for selective synthesis of indoles and 2-aminobenzofurans.","Chemical communications (Cambridge, England)","2023","59","45","6885","6888","10.1039/d3cc01687k","","x-ray","0.71073","MoKα","","0.0693","0.0566","","","0.1194","0.1261","","","","","","1.111","","","","has coordinates","284170","2023-06-05","03:34:11",""
"7131617","9.2102","0.0018","20.916","0.004","11.778","0.002","90","","102.6","0.03","90","","2214.3","0.8","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl N -","- C28 H22 Cl N -","- C112 H88 Cl4 N4 -","4","1","","Ghasemi, Mehran; Rahimi, Banafshe; Dehghan, Maryam; Bernoosha, Mohammad Hossein; Jafarpour, Farnaz","<i>Syn</i>- <i>versus anti</i>-carbopalladation of alkynes with organoborons: access to indoles symmetrically and unsymmetrically substituted on their 2,3-positions.","Chemical communications (Cambridge, England)","2023","59","45","6873","6876","10.1039/d3cc01753b","","x-ray","0.71073","MoKα","","0.0805","0.0675","","","0.1315","0.1385","","","","","","1.115","","","","has coordinates","284202","2023-06-05","03:46:47",""
"7131618","10.887","0.002","9.942","0.002","19.661","0.004","90","","92.94","0.03","90","","2125.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O -","- C28 H23 N O -","- C112 H92 N4 O4 -","4","1","","Ghasemi, Mehran; Rahimi, Banafshe; Dehghan, Maryam; Bernoosha, Mohammad Hossein; Jafarpour, Farnaz","<i>Syn</i>- <i>versus anti</i>-carbopalladation of alkynes with organoborons: access to indoles symmetrically and unsymmetrically substituted on their 2,3-positions.","Chemical communications (Cambridge, England)","2023","59","45","6873","6876","10.1039/d3cc01753b","","","0.71073","MoKα","","0.0814","0.0639","","","0.1307","0.1392","","","","","","1.135","","","","has coordinates","284202","2023-06-05","03:46:47",""
"7131619","8.0268","0.0016","11.315","0.002","12.532","0.003","73.63","0.03","86.31","0.03","86.29","0.03","1088.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C56 H46 N2 O4 -","2","1","","Ghasemi, Mehran; Rahimi, Banafshe; Dehghan, Maryam; Bernoosha, Mohammad Hossein; Jafarpour, Farnaz","<i>Syn</i>- <i>versus anti</i>-carbopalladation of alkynes with organoborons: access to indoles symmetrically and unsymmetrically substituted on their 2,3-positions.","Chemical communications (Cambridge, England)","2023","59","45","6873","6876","10.1039/d3cc01753b","","","0.71073","MoKα","","0.0876","0.0651","","","0.1529","0.1643","","","","","","1.131","","","","has coordinates","284202","2023-06-05","03:46:47",""
"7131620","11.4912","0.0006","18.9552","0.0008","6.5717","0.0004","90","","90","","90","","1431.43","0.13","150","","150","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C13 H15 N5 O Pt -","- C13 H14 N5 O Pt -","- C52 H56 N20 O4 Pt4 -","4","0.5","","Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako","Chromic triboluminescence of self-assembled platinum(II) complexes.","Chemical communications (Cambridge, England)","2023","59","44","6745","6748","10.1039/d3cc01525d","","x-ray","1.54184","CuKα","","0.0569","0.051","","","0.1389","0.1449","","","","","","1.021","","","","has coordinates,has disorder","284167","2023-06-05","03:28:18",""
"7131621","6.9511","0.0002","9.3228","0.0003","11.6052","0.0004","88.898","0.003","84.088","0.003","87.195","0.002","747.09","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N5 Pt -","- C15 H17 N5 Pt -","- C30 H34 N10 Pt2 -","2","1","","Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako","Chromic triboluminescence of self-assembled platinum(II) complexes.","Chemical communications (Cambridge, England)","2023","59","44","6745","6748","10.1039/d3cc01525d","","x-ray","1.54184","CuKα","","0.0446","0.0439","","","0.1231","0.124","","","","","","1.129","","","","has coordinates","284167","2023-06-05","03:28:19",""
"7131622","7.0539","0.0002","9.1957","0.0002","11.0803","0.0002","89.036","0.002","86.526","0.002","89.72","0.002","717.3","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N5 Pt -","- C14 H15 N5 Pt -","- C28 H30 N10 Pt2 -","2","1","","Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako","Chromic triboluminescence of self-assembled platinum(II) complexes.","Chemical communications (Cambridge, England)","2023","59","44","6745","6748","10.1039/d3cc01525d","","x-ray","1.54184","CuKα","","0.0371","0.0362","","","0.0964","0.097","","","","","","1.058","","","","has coordinates","284167","2023-06-05","03:28:19",""
"7131623","13.7509","0.0001","17.8898","0.0001","21.4801","0.0002","90","","90","","90","","5284.12","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N5 Pt -","- C13 H13 N5 Pt -","- C208 H208 N80 Pt16 -","16","4","","Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako","Chromic triboluminescence of self-assembled platinum(II) complexes.","Chemical communications (Cambridge, England)","2023","59","44","6745","6748","10.1039/d3cc01525d","","","1.54184","CuKα","","0.0499","0.048","","","0.1375","0.1391","","","","","","1.039","","","","has coordinates,has disorder","284167","2023-06-05","03:28:19",""
"7131624","9.5877","0.0003","10.4329","0.0004","21.9228","0.0007","83.768","0.003","77.981","0.003","65.249","0.003","1947.22","0.13","221.9","0.1","221.9","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 F6 N2 Nd O6 -","- C35 H51 F6 N2 Nd O6 -","- C70 H102 F12 N4 Nd2 O12 -","2","1","","Hu, Guojun; Wang, Yanwei; Wang, Yaorong; Zhu, Xuehua; Yuan, Dan; Yao, Yingming","Random copolymerization of trimethylene carbonate with L-lactide initiated by amine-bridged bis(phenolate) neodymium alkoxides.","Chemical communications (Cambridge, England)","2023","59","45","6921","6924","10.1039/d3cc01766d","","x-ray","0.71073","MoKα","","0.0454","0.0386","","","0.087","0.0914","","","","","","1.061","","","","has coordinates,has disorder","284166","2023-06-05","03:26:54",""
"7131625","11.4516","0.0006","17.9776","0.001","21.6593","0.0012","99.326","0.003","92.638","0.003","90.353","0.003","4395","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 F3 N2 Nd O8 -","- C42 H68 F3 N2 Nd O8 -","- C168 H272 F12 N8 Nd4 O32 -","4","2","","Hu, Guojun; Wang, Yanwei; Wang, Yaorong; Zhu, Xuehua; Yuan, Dan; Yao, Yingming","Random copolymerization of trimethylene carbonate with L-lactide initiated by amine-bridged bis(phenolate) neodymium alkoxides.","Chemical communications (Cambridge, England)","2023","59","45","6921","6924","10.1039/d3cc01766d","","","1.34138","GaKα","","0.1016","0.0639","","","0.1587","0.1774","","","","","","1.063","","","","has coordinates,has disorder","284166","2023-06-05","03:26:54",""
"7131626","8.3336","0.0004","18.5187","0.0009","26.3322","0.0012","90","","90","","90","","4063.8","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C200 H144 N16 O8 S8 -","8","1","","Dhara, Hirendra Nath; Rakshit, Amitava; Barik, Dinabandhu; Ghosh, Koustuv; Patel, Bhisma K.","Visible-light driven electron-donor-acceptor (EDA) complex-initiated synthesis of thio-functionalized pyridines.","Chemical communications (Cambridge, England)","2023","59","51","7990","7993","10.1039/d3cc01678a","","","0.71073","MoKα","","0.0659","0.0517","","","0.1493","0.174","","","","","","1.101","","","","has coordinates","284835","2023-07-05","08:46:36",""
"7131627","8.8205","0.0004","18.733","0.0011","19.9045","0.0012","90","","90","","90","","3288.9","0.3","297","","297","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Srinivas, Dasari; Mounika, Kurella; Satyanarayana, Gedu","Functionalization of arylacetic acids <i>via</i> directing-group-assisted remote <i>meta</i>-C-H activation.","Chemical communications (Cambridge, England)","2023","59","46","7084","7087","10.1039/d3cc01050c","","","0.71073","MoKα","","0.0824","0.0524","","","0.1374","0.158","","","","","","1.034","","","","has coordinates","284843","2023-07-05","08:50:26",""
"7131628","15.0121","0.0019","13.2954","0.0019","15.133","0.002","90","","113.157","0.003","90","","2777.1","0.6","299","2","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O4 S2 -","- C32 H27 N O4 S2 -","- C128 H108 N4 O16 S8 -","4","1","","Meena, Shivam A.; Sharma, Poonam; Verma, Akhilesh K.","Stereoselective synthesis of difunctionalized succinimides from aza-1,6-enynes by radical cascade reaction.","Chemical communications (Cambridge, England)","2023","59","47","7271","7274","10.1039/d3cc01391j","","","0.71073","MoKα","","0.1057","0.0684","","","0.1389","0.1591","","","","","","1.0658","","","","has coordinates","284863","2023-07-05","09:07:29",""
"7131629","7.8375","0.0005","15.8427","0.0009","22.6838","0.0014","90","","99.443","0.003","90","","2778.4","0.3","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N O4 S Se -","- C32 H26 Cl N O4 S Se -","- C128 H104 Cl4 N4 O16 S4 Se4 -","4","1","","Meena, Shivam A.; Sharma, Poonam; Verma, Akhilesh K.","Stereoselective synthesis of difunctionalized succinimides from aza-1,6-enynes by radical cascade reaction.","Chemical communications (Cambridge, England)","2023","59","47","7271","7274","10.1039/d3cc01391j","","","0.71073","MoKα","","0.0448","0.0323","","","0.0725","0.0785","","","","","","0.998","","","","has coordinates","284863","2023-07-05","09:07:30",""
"7131630","11.2188","0.0004","20.7777","0.0007","8.83","0.0003","90","","109.93","0.004","90","","1935.01","0.13","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C96 H76 Cl4 N8 O4 -","4","1","","Li, Cheng; Zhao, Bin; Mao, Guojiang; Deng, Guo-Jun","Rhodium(III)-catalyzed mild and regioselective dearomative spirocyclization of 2-aryl-3-nitrosoindoles with alkynes.","Chemical communications (Cambridge, England)","2023","59","46","7044","7047","10.1039/d3cc01940c","","x-ray","1.54184","CuKα","","0.0524","0.0476","","","0.1347","0.1402","","","","","","1.032","","","","has coordinates","284845","2023-07-05","08:51:40",""
"7131631","10.2696","0.0012","10.3708","0.0013","12.6585","0.0013","90.132","0.009","110.122","0.01","104.018","0.01","1222.8","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O -","- C31 H22 N2 O -","- C62 H44 N4 O2 -","2","1","","Li, Cheng; Zhao, Bin; Mao, Guojiang; Deng, Guo-Jun","Rhodium(III)-catalyzed mild and regioselective dearomative spirocyclization of 2-aryl-3-nitrosoindoles with alkynes.","Chemical communications (Cambridge, England)","2023","59","46","7044","7047","10.1039/d3cc01940c","","x-ray","0.71073","MoKα","","0.0921","0.0653","","","0.1626","0.1861","","","","","","1.054","","","","has coordinates","284845","2023-07-05","08:51:50",""
"7131632","8.6173","0.0002","9.9762","0.0002","13.012","0.0003","75.004","0.001","89.623","0.001","65.828","0.001","979.49","0.04","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 Cl N O3 P -","- C20 H25 Cl N O3 P -","- C40 H50 Cl2 N2 O6 P2 -","2","1","","Kaboudin, Babak; Ghashghaee, Mojtaba; Fukaya, Haruhiko; Yanai, Hikaru","Stereoselective synthesis of vinylphosphonates through aromatic aza-Claisen rearrangement of α-aminophosphonates.","Chemical communications (Cambridge, England)","2023","59","46","7076","7079","10.1039/d3cc01669b","","x-ray","0.71073","MoKα","K-L~3~","0.031","0.0289","","","0.0814","0.0829","","","","","","1.058","","","","has coordinates","284846","2023-07-05","08:52:16",""
"7131633","9.8383","0.0003","9.6582","0.0003","10.9876","0.0003","90","","102.287","0.001","90","","1020.13","0.05","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N O4 P -","- C21 H28 N O4 P -","- C42 H56 N2 O8 P2 -","2","1","","Kaboudin, Babak; Ghashghaee, Mojtaba; Fukaya, Haruhiko; Yanai, Hikaru","Stereoselective synthesis of vinylphosphonates through aromatic aza-Claisen rearrangement of α-aminophosphonates.","Chemical communications (Cambridge, England)","2023","59","46","7076","7079","10.1039/d3cc01669b","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0336","","","0.0849","0.0867","","","","","","1.029","","","","has coordinates","284846","2023-07-05","08:52:17",""
"7131634","13.5602","0.0003","13.8377","0.0003","14.8499","0.0002","70.109","0.002","81.732","0.002","72.621","0.002","2497.85","0.09","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C104 H92 N4 O8 S4 Zn4 -","- C104 H92 N4 O8 S4 Zn4 -","- C104 H92 N4 O8 S4 Zn4 -","1","0.5","","Borys, Andryj M.; Kunzmann, Tim; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient arylation of <i>N</i>-tosylimines mediated by cooperative ZnAr<sub>2</sub>/Zn(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> combinations.","Chemical communications (Cambridge, England)","2023","59","49","7583","7586","10.1039/d3cc01490h","","x-ray","1.54184","CuKα","","0.057","0.0531","","","0.1477","0.1506","","","","","","1.071","","","","has coordinates,has disorder","284878","2023-07-05","09:17:32",""
"7131635","28.6033","0.0008","9.8468","0.0003","23.6134","0.0005","90","","94.965","0.003","90","","6625.8","0.3","100","0.3","100","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 N3 O2 S Zn -","- C32 H39 N3 O2 S Zn -","- C256 H312 N24 O16 S8 Zn8 -","8","1","","Borys, Andryj M.; Kunzmann, Tim; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient arylation of <i>N</i>-tosylimines mediated by cooperative ZnAr<sub>2</sub>/Zn(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> combinations.","Chemical communications (Cambridge, England)","2023","59","49","7583","7586","10.1039/d3cc01490h","","x-ray","1.54184","CuKα","","0.0839","0.0678","","","0.1727","0.1872","","","","","","1.051","","","","has coordinates","284878","2023-07-05","09:17:36",""
"7131636","11.6712","0.0001","16.9909","0.0001","12.479","0.0001","90","","92.27","0.001","90","","2472.7","0.03","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 F10 N O2 S Zn -","- C26 H13 F10 N O2 S Zn -","- C104 H52 F40 N4 O8 S4 Zn4 -","4","1","","Borys, Andryj M.; Kunzmann, Tim; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient arylation of <i>N</i>-tosylimines mediated by cooperative ZnAr<sub>2</sub>/Zn(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> combinations.","Chemical communications (Cambridge, England)","2023","59","49","7583","7586","10.1039/d3cc01490h","","x-ray","1.54184","CuKα","","0.0536","0.043","","","0.1517","0.2183","","","","","","1.154","","","","has coordinates","284878","2023-07-05","09:17:39",""
"7131637","12.61445","0.00007","17.36835","0.0001","15.87255","0.00009","90","","93.2751","0.0005","90","","3471.87","0.03","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H46 F20 N2 O4 S2 Zn4 -","- C76 H46 F20 N2 O4 S2 Zn4 -","- C152 H92 F40 N4 O8 S4 Zn8 -","2","0.5","","Borys, Andryj M.; Kunzmann, Tim; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient arylation of <i>N</i>-tosylimines mediated by cooperative ZnAr<sub>2</sub>/Zn(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> combinations.","Chemical communications (Cambridge, England)","2023","59","49","7583","7586","10.1039/d3cc01490h","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0684","0.0685","","","","","","1.073","","","","has coordinates","284878","2023-07-05","09:17:49",""
"7131638","10.012","0.006","10.023","0.008","11.978","0.006","94.38","0.06","109.83","0.06","93.94","0.06","1121.7","1.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N2 O3 S -","- C25 H21 Cl N2 O3 S -","- C50 H42 Cl2 N4 O6 S2 -","2","1","","Baidya, Ramlal; Das, Prasenjit; Pratihar, Pintu; Maiti, Dilip K.","Ring expansion and fused cyclization catalysis to construct indoloquinazolinones with functionalization.","Chemical communications (Cambridge, England)","2023","59","51","7978","7981","10.1039/d3cc01429k","","x-ray","0.71073","MoKα","","0.105","0.072","","","0.1946","0.2164","","","","","","1.005","","","","has coordinates","284836","2023-07-05","08:46:54",""
"7131639","7.9054","0.0001","13.1683","0.0003","19.1538","0.0004","90.215","0.002","96.665","0.002","106.787","0.002","1894.59","0.07","296.89","0.18","296.89","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Sun, Weiqiang; Cui, Xueli; Qu, Jing; Cai, Xiaojia; Hu, Jinhui; Xiong, Zhuang; Guo, Suqin; Xu, Jun; Chen, Wen-Hua; Wu, Jia-Qiang","Facile access to 2-hydroxy-2-substituted indole-3-ones <i>via</i> a copper-catalyzed oxidative cyclization of 2-arylethynylanilines.","Chemical communications (Cambridge, England)","2023","59","47","7228","7231","10.1039/d3cc01390a","","x-ray","1.54184","CuKα","","0.0668","0.0555","","","0.1459","0.154","","","","","","1.04","","","","has coordinates","284859","2023-07-05","09:04:07",""
"7131640","24.4178","0.0004","5.7091","0.0001","26.1253","0.0004","90","","112.314","0.002","90","","3369.24","0.11","298.19","0.1","298.19","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br N O4 -","- C15 H10 Br N O3 -","- C120 H80 Br8 N8 O24 -","8","1","","Sun, Weiqiang; Cui, Xueli; Qu, Jing; Cai, Xiaojia; Hu, Jinhui; Xiong, Zhuang; Guo, Suqin; Xu, Jun; Chen, Wen-Hua; Wu, Jia-Qiang","Facile access to 2-hydroxy-2-substituted indole-3-ones <i>via</i> a copper-catalyzed oxidative cyclization of 2-arylethynylanilines.","Chemical communications (Cambridge, England)","2023","59","47","7228","7231","10.1039/d3cc01390a","","x-ray","1.54184","CuKα","","0.0419","0.0401","","","0.1212","0.123","","","","","","1.053","","","","has coordinates","284859","2023-07-05","09:04:18",""
"7131641","8.684","0.0001","16.4916","0.0004","13.6197","0.0002","90","","92.3","0.001","90","","1948.95","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","","Yadav, Suman; Kant, Ruchir; Kuram, Malleswara Rao","Metal-free transfer hydrogenation/cycloaddition cascade of activated quinolines and isoquinolines with tosyl azides.","Chemical communications (Cambridge, England)","2023","59","46","7088","7091","10.1039/d3cc01430d","","","0.71073","MoKα","","0.0549","0.0454","","","0.1269","0.1362","","","","","","1.025","","","","has coordinates","284847","2023-07-05","08:52:28",""
"7131642","15.7372","0.0004","13.4885","0.0002","18.8423","0.0003","90","","90","","90","","3999.68","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Yadav, Suman; Kant, Ruchir; Kuram, Malleswara Rao","Metal-free transfer hydrogenation/cycloaddition cascade of activated quinolines and isoquinolines with tosyl azides.","Chemical communications (Cambridge, England)","2023","59","46","7088","7091","10.1039/d3cc01430d","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.1206","0.1256","","","","","","1.078","","","","has coordinates","284847","2023-07-05","08:52:29",""
"7131643","9.5394","0.0008","11.1681","0.0009","12.3498","0.0012","90","","101.756","0.01","90","","1288.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F N O3 -","- C33 H28 F N O3 -","- C66 H56 F2 N2 O6 -","2","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Jia, Shi-Kun; Xiao, Xiao; Wang, Min-Can; Mei, Guang-Jian","Zn-ProPhenol catalyzed asymmetric inverse-electron-demand Diels-Alder reaction.","Chemical communications (Cambridge, England)","2023","59","45","6929","6932","10.1039/d3cc01641b","","x-ray","1.54184","CuKα","","0.0468","0.0396","","","0.0911","0.0978","","","","","","1.08","","","","has coordinates","284201","2023-06-05","03:46:33",""
"7131644","8.0242","0.0001","30.1775","0.0004","13.9999","0.0002","90","","105.072","0.002","90","","3273.46","0.08","160","1","160","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C41 H36 Cl2 O4 -","- C41 H36 Cl2 O4 -","- C164 H144 Cl8 O16 -","4","0.5","","Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juríček, Michal","Dimethylnonacethrene - <i>en route</i> to a magnetic switch.","Chemical communications (Cambridge, England)","2023","59","50","7743","7746","10.1039/d3cc01301d","","x-ray","1.54184","CuKα","","0.0669","0.0651","","","0.1836","0.1853","","","","","","1.078","","","","has coordinates,has disorder","284851","2023-07-05","08:55:55",""
"7131645","8.1425","0.0003","12.3731","0.0004","13.4276","0.0005","71.82","0.003","73.113","0.003","74.791","0.003","1207.72","0.08","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","1","","Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juríček, Michal","Dimethylnonacethrene - <i>en route</i> to a magnetic switch.","Chemical communications (Cambridge, England)","2023","59","50","7743","7746","10.1039/d3cc01301d","","x-ray","1.54184","CuKα","","0.0483","0.0427","","","0.119","0.1231","","","","","","1.068","","","","has coordinates","284851","2023-07-05","08:56:08",""
"7131646","18.35075","0.00014","9.98785","0.00008","16.08593","0.00013","90","","91.0918","0.0007","90","","2947.77","0.04","160","1","160","1","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C78 H78 -","- C78 H78 -","- C156 H156 -","2","1","","Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juríček, Michal","Dimethylnonacethrene - <i>en route</i> to a magnetic switch.","Chemical communications (Cambridge, England)","2023","59","50","7743","7746","10.1039/d3cc01301d","","x-ray","1.54184","CuKα","","0.0908","0.0865","","","0.215","0.2284","","","","","","1.046","","","","has coordinates","284851","2023-07-05","08:56:18",""
"7131647","16.9834","0.0003","16.3415","0.0002","17.0437","0.0003","90","","116.574","0.003","90","","4230.5","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Co(TBT)2]n","","- C42 H50 Co N4 S6 -","- C42 H50 Co N4 S6 -","- C168 H200 Co4 N16 S24 -","4","1","","Hou, Qin; Chen, Li-Jun; He, Jing; Chen, Er-Xia; Wang, Bo; Zhou, Xuechou; Dai, Yumei; He, Liang; Lin, Qipu","Thiophenol-spaced 2D coordination polymers with extraordinary alkali resistance and efficient photothermal conversion.","Chemical communications (Cambridge, England)","2023","59","46","7072","7075","10.1039/d3cc00778b","","x-ray","0.71073","MoKα","","0.0379","0.0341","","","0.0763","0.0779","","","","","","1.0518","","","","has coordinates","284844","2023-07-05","08:51:15",""
"7131648","11.35023","0.00006","11.35023","0.00006","34.2177","0.0003","90","","90","","90","","4408.19","0.05","199.99","0.1","199.99","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C84 H108 N8 S12 Zn2 -","- C84 H108 N8 S12 Zn2 -","- C168 H216 N16 S24 Zn4 -","2","0.125","","Hou, Qin; Chen, Li-Jun; He, Jing; Chen, Er-Xia; Wang, Bo; Zhou, Xuechou; Dai, Yumei; He, Liang; Lin, Qipu","Thiophenol-spaced 2D coordination polymers with extraordinary alkali resistance and efficient photothermal conversion.","Chemical communications (Cambridge, England)","2023","59","46","7072","7075","10.1039/d3cc00778b","","x-ray","1.3405","GaKα","","0.0547","0.0511","","","0.159","0.1643","","","","","","1.079","","","","has coordinates,has disorder","284844","2023-07-05","08:51:16",""
"7131649","16.9805","0.0008","16.3895","0.0005","17.0828","0.0008","90","","116.751","0.006","90","","4245.3","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Fe N4 S6 -","- C42 H50 Fe N4 S6 -","- C168 H200 Fe4 N16 S24 -","4","1","","Hou, Qin; Chen, Li-Jun; He, Jing; Chen, Er-Xia; Wang, Bo; Zhou, Xuechou; Dai, Yumei; He, Liang; Lin, Qipu","Thiophenol-spaced 2D coordination polymers with extraordinary alkali resistance and efficient photothermal conversion.","Chemical communications (Cambridge, England)","2023","59","46","7072","7075","10.1039/d3cc00778b","","x-ray","0.71073","MoKα","","0.0386","0.0347","","","0.084","0.0857","","","","","","1.082","","","","has coordinates","284844","2023-07-05","08:51:16",""
"7131650","8.90415","0.00009","28.9401","0.0002","7.98398","0.00008","90","","111.116","0.0011","90","","1919.23","0.03","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C96 H76 Cl4 N8 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.","Chemical communications (Cambridge, England)","2023","59","45","6905","6908","10.1039/d3cc01674a","","x-ray","1.54184","CuKα","","0.0341","0.0335","","","0.0876","0.088","","","","","","1.054","","","","has coordinates","284165","2023-06-05","03:25:42",""
"7131651","10.2702","0.0007","12.6758","0.0009","41.47","0.003","90","","90.17","0.01","90","","5398.7","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 Cl2 N4 -","- C64 H70 Cl2 N4 -","- C256 H280 Cl8 N16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.","Chemical communications (Cambridge, England)","2023","59","45","6905","6908","10.1039/d3cc01674a","","x-ray","1.54184","CuKα","","0.1402","0.1243","","","0.3593","0.3699","","","","","","1.11","","","","has coordinates,has disorder","284165","2023-06-05","03:25:43",""
"7131652","13.3101","0.0003","13.4723","0.0005","13.9252","0.0003","101.733","0.003","102.111","0.002","100.527","0.003","2323.26","0.12","150","0.4","150","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C54 H52 N4 O6 S2 -","- C54 H52 N4 O6 S2 -","- C108 H104 N8 O12 S4 -","2","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.","Chemical communications (Cambridge, England)","2023","59","45","6905","6908","10.1039/d3cc01674a","","x-ray","1.54184","CuKα","","0.1028","0.0937","","","0.285","0.2908","","","","","","1.102","","","","has coordinates","284165","2023-06-05","03:25:43",""
"7131653","12.143","0.0004","11.0905","0.0004","42.6477","0.0015","90","","90","","90","","5743.4","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H35 Cl N2 O4 -","- C32 H35 Cl N2 O4 -","- C256 H280 Cl8 N16 O32 -","8","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.","Chemical communications (Cambridge, England)","2023","59","45","6905","6908","10.1039/d3cc01674a","","x-ray","1.54184","CuKα","","0.0859","0.0664","","","0.1566","0.167","","","","","","1.06","","","","has coordinates","284165","2023-06-05","03:25:43",""
"7131654","14.975","0.0001","19.7881","0.0001","14.8102","0.0001","90","","108.774","0.001","90","","4155.16","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C200 H176 N16 O24 S8 -","8","2","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.","Chemical communications (Cambridge, England)","2023","59","45","6905","6908","10.1039/d3cc01674a","","x-ray","1.54184","CuKα","","0.0392","0.0378","","","0.1005","0.1019","","","","","","1.0487","","","","has coordinates","284165","2023-06-05","03:25:43",""
"7131655","15.4003","0.0002","14.5568","0.0002","29.3234","0.0003","90","","105.105","0.001","90","","6346.57","0.14","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Ge3 N6 -","- C60 H108 Ge3 N6 -","- C240 H432 Ge12 N24 -","4","1","","Caise, Alexa; Hicks, Jamie; Heilmann, Andreas; Aldridge, Simon","Redox flexibility in a germanium hydride manifold: hydrogen shuttling <i>via</i> oxidative addition and reductive elimination.","Chemical communications (Cambridge, England)","2023","59","47","7251","7254","10.1039/d3cc01411h","","","1.54184","CuKα","","0.0316","0.0257","","","0.0625","0.0658","","","","","","1.032","","","","has coordinates","284862","2023-07-05","09:06:43",""
"7131656","8.2011","0.0003","10.5814","0.0006","16.5784","0.0005","102.491","0.003","100.285","0.003","93.091","0.004","1375.61","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Ge N2 O -","- C30 H42 Ge N2 O -","- C60 H84 Ge2 N4 O2 -","2","1","","Caise, Alexa; Hicks, Jamie; Heilmann, Andreas; Aldridge, Simon","Redox flexibility in a germanium hydride manifold: hydrogen shuttling <i>via</i> oxidative addition and reductive elimination.","Chemical communications (Cambridge, England)","2023","59","47","7251","7254","10.1039/d3cc01411h","","","1.54184","CuKα","","0.0299","0.0283","","","0.0727","0.0744","","","","","","1.044","","","","has coordinates,has disorder","284862","2023-07-05","09:06:47",""
"7131657","14.3981","0.0002","11.3783","0.0001","14.8745","0.0002","90","","118.729","0.002","90","","2136.86","0.06","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Ge N2 O2 -","- C21 H36 Ge N2 O2 -","- C84 H144 Ge4 N8 O8 -","4","1","","Caise, Alexa; Hicks, Jamie; Heilmann, Andreas; Aldridge, Simon","Redox flexibility in a germanium hydride manifold: hydrogen shuttling <i>via</i> oxidative addition and reductive elimination.","Chemical communications (Cambridge, England)","2023","59","47","7251","7254","10.1039/d3cc01411h","","","1.54184","CuKα","","0.031","0.026","","","0.0658","0.0695","","","","","","1.028","","","","has coordinates","284862","2023-07-05","09:06:49",""
"7131658","18.1855","0.0002","22.2471","0.0003","22.8462","0.0003","90","","90","","90","","9243","0.2","150","0.2","150","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H44 B F20 Ge N2 -","- C47 H44 B F20 Ge N2 -","- C376 H352 B8 F160 Ge8 N16 -","8","1","","Caise, Alexa; Hicks, Jamie; Heilmann, Andreas; Aldridge, Simon","Redox flexibility in a germanium hydride manifold: hydrogen shuttling <i>via</i> oxidative addition and reductive elimination.","Chemical communications (Cambridge, England)","2023","59","47","7251","7254","10.1039/d3cc01411h","","","1.54184","CuKα","","0.0457","0.0308","","","0.0734","0.0815","","","","","","1.016","","","","has coordinates","284862","2023-07-05","09:06:49",""
"7131659","7.8431","0.0001","8.7977","0.0001","33.4343","0.0004","90","","90","","90","","2307.01","0.05","200","0.1","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","1","","Zhao, Xuan-Hui; Li, Na-Na; Peng, Jing; Xu, Jun; Luo, Peng; Dong, Xi-Yan; Hu, Xiaozong","Circularly polarized luminescence enlargement from crystals to oriented films of enantiopure 2D hybrid perovskites.","Chemical communications (Cambridge, England)","2023","59","45","6881","6884","10.1039/d3cc01739g","","x-ray","1.54184","CuKα","","0.0344","0.031","","","0.0727","0.0742","","","","","","1.027","","","","has coordinates","284203","2023-06-05","03:47:06",""
"7131660","7.8403","0.0001","8.7958","0.0001","33.4329","0.0004","90","","90","","90","","2305.59","0.05","200","0.1","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","1","","Zhao, Xuan-Hui; Li, Na-Na; Peng, Jing; Xu, Jun; Luo, Peng; Dong, Xi-Yan; Hu, Xiaozong","Circularly polarized luminescence enlargement from crystals to oriented films of enantiopure 2D hybrid perovskites.","Chemical communications (Cambridge, England)","2023","59","45","6881","6884","10.1039/d3cc01739g","","x-ray","1.54184","CuKα","","0.038","0.0373","","","0.1019","0.1025","","","","","","1.064","","","","has coordinates","284203","2023-06-05","03:47:16",""
"7131661","8.1612","0.0002","17.5034","0.0004","18.6108","0.0005","115.736","0.001","102.225","0.001","95.098","0.001","2290.62","0.1","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H92 Br14 F8 N8 O2 Pb3 -","- C64 H92 Br14 F8 N8 O2 Pb3 -","- C64 H92 Br14 F8 N8 O2 Pb3 -","1","0.5","","Zhao, Xuan-Hui; Li, Na-Na; Peng, Jing; Xu, Jun; Luo, Peng; Dong, Xi-Yan; Hu, Xiaozong","Circularly polarized luminescence enlargement from crystals to oriented films of enantiopure 2D hybrid perovskites.","Chemical communications (Cambridge, England)","2023","59","45","6881","6884","10.1039/d3cc01739g","","","0.71073","MoKα","","0.0468","0.0281","","","0.0565","0.0616","","","","","","1.039","","","","has coordinates","284203","2023-06-05","03:47:28",""
"7131662","9.483","0.002","10.987","0.003","12.79","0.003","68.707","0.007","82.307","0.007","73.621","0.007","1190.5","0.5","214.56","","214.56","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H64 N4 O14 -","- C50 H64 N4 O14 -","- C50 H64 N4 O14 -","1","0.5","","Li, Shi-Yao; Yao, Huan; Hu, Hao; Chen, Wen-Jie; Yang, Liu-Pan; Wang, Li-Li","Selective adsorption of trace morpholine impurities over <i>N</i>-ethyl morpholine by tetralactam solids.","Chemical communications (Cambridge, England)","2023","59","47","7204","7207","10.1039/d3cc01164j","","","0.71073","MoKα","","0.0895","0.0566","","","0.1328","0.1482","","","","","","1.068","","","","has coordinates,has disorder","284860","2023-07-05","09:05:11",""
"7131663","11.4061","0.0007","11.5234","0.0008","13.0536","0.0009","84.464","0.003","65.455","0.003","74.125","0.003","1500.87","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H84 N8 O12 -","- C64 H84 N8 O12 -","- C64 H84 N8 O12 -","1","0.5","","Li, Shi-Yao; Yao, Huan; Hu, Hao; Chen, Wen-Jie; Yang, Liu-Pan; Wang, Li-Li","Selective adsorption of trace morpholine impurities over <i>N</i>-ethyl morpholine by tetralactam solids.","Chemical communications (Cambridge, England)","2023","59","47","7204","7207","10.1039/d3cc01164j","","","1.34139","GaKα","","0.0894","0.0533","","","0.1416","0.1566","","","","","","1.096","","","","has coordinates,has disorder","284860","2023-07-05","09:05:17",""
"7131664","6.0073","0.0002","11.365","0.0005","18.1482","0.0007","99.599","0.001","90.858","0.001","94.491","0.001","1217.44","0.08","150","","150.15","","","","","","","","","6","P -1","-P 1","2","","2-(4-(tert-butyldisulfaneyl)-1-((3,5-difluorophenyl)sulfonyl)-4-methylpentan-2-yl)benzo[d]thiazole","","- C23 H27 F2 N O2 S4 -","- C23 H27 F2 N O2 S4 -","- C46 H54 F4 N2 O4 S8 -","2","1","","Wang, Baoxu; Hu, Zijing; Huang, Lu; Ren, Xiaorui; Gao, Qianwen; Wang, Xi","Polysulfide synthesis <i>via</i> visible-light-induced heteroarene-migratory dithiosulfonylation reaction.","Chemical communications (Cambridge, England)","2023","59","47","7247","7250","10.1039/d3cc01994b","","x-ray","0.71073","MoKα","","0.058","0.0522","","","0.152","0.1577","","","","","","1.05","","","","has coordinates","284861","2023-07-05","09:05:42",""
"7131665","11.807","0.004","10.063","0.003","21.134","0.007","90","","90","","90","","2511","1.4","293","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(5,5-dimethyl-4,5-dihydrothiophen-3-yl)-1-methyl-1H-benzo[d]imidazole","","- C14 N2 S -","- C14 N2 S -","- C112 N16 S8 -","8","1","","Wang, Baoxu; Hu, Zijing; Huang, Lu; Ren, Xiaorui; Gao, Qianwen; Wang, Xi","Polysulfide synthesis <i>via</i> visible-light-induced heteroarene-migratory dithiosulfonylation reaction.","Chemical communications (Cambridge, England)","2023","59","47","7247","7250","10.1039/d3cc01994b","","","0.71073","MoKα","","0.0706","0.0662","","","0.2314","0.2379","","","","","","1.083","","","","has coordinates","284861","2023-07-05","09:05:52",""
"7131666","9.5487","0.0005","11.5708","0.0007","15.9662","0.0011","70.66","0.003","80.85","0.002","74.74","0.002","1600.8","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H41 Si -","- C42 H41 Si -","- C84 H82 Si2 -","2","1","","Janssen, Marvin; Mebs, Stefan; Beckmann, Jens","Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.","Chemical communications (Cambridge, England)","2023","59","47","7267","7270","10.1039/d3cc00397c","","","0.71073","MoKα","","0.084","0.055","","","0.1324","0.1554","","","","","","1.067","","","","has coordinates,has disorder","284858","2023-07-05","09:02:50",""
"7131667","9.415","0.0006","13.8081","0.0008","15.8413","0.001","82.746","0.002","81.826","0.002","70.414","0.002","1913.7","0.2","103.74","","103.74","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H47 Cl Sn -","- C49 H47 Cl Sn -","- C98 H94 Cl2 Sn2 -","2","1","","Janssen, Marvin; Mebs, Stefan; Beckmann, Jens","Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.","Chemical communications (Cambridge, England)","2023","59","47","7267","7270","10.1039/d3cc00397c","","","0.71073","MoKα","","0.0427","0.0285","","","0.0616","0.0668","","","","","","1.036","","","","has coordinates,has disorder","284858","2023-07-05","09:03:02",""
"7131668","12.6763","0.0009","12.9768","0.001","17.9122","0.0016","86.226","0.003","84.228","0.003","84.387","0.003","2912.9","0.4","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H39 B F20 Sn -","- C66 H39 B F20 Sn -","- C132 H78 B2 F40 Sn2 -","2","1","","Janssen, Marvin; Mebs, Stefan; Beckmann, Jens","Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.","Chemical communications (Cambridge, England)","2023","59","47","7267","7270","10.1039/d3cc00397c","","","0.71073","MoKα","","0.0384","0.03","","","0.0768","0.0812","","","","","","1.056","","","","has coordinates","284858","2023-07-05","09:03:16",""
"7131669","10.137","0.0007","12.5545","0.0009","15.8115","0.0011","101.75","0.003","96.006","0.003","109.536","0.003","1823.8","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H42 Pb -","- C43 H42 Pb -","- C86 H84 Pb2 -","2","1","","Janssen, Marvin; Mebs, Stefan; Beckmann, Jens","Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.","Chemical communications (Cambridge, England)","2023","59","47","7267","7270","10.1039/d3cc00397c","","","0.71073","MoKα","","0.0285","0.0244","","","0.0589","0.0603","","","","","","1.044","","","","has coordinates","284858","2023-07-05","09:03:22",""
"7131670","10.5128","0.0011","17.7699","0.0016","29.707","0.003","90","","94.346","0.003","90","","5533.6","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H39 B F20 Si -","- C66 H39 B F20 Si -","- C264 H156 B4 F80 Si4 -","4","1","","Janssen, Marvin; Mebs, Stefan; Beckmann, Jens","Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.","Chemical communications (Cambridge, England)","2023","59","47","7267","7270","10.1039/d3cc00397c","","","0.71073","MoKα","","0.0837","0.0521","","","0.1079","0.12","","","","","","1.019","","","","has coordinates","284858","2023-07-05","09:03:36",""
"7131671","10.2803","0.001","14.774","0.002","18.3384","0.0019","86.552","0.007","78.805","0.004","85.707","0.005","2721.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H39 B F20 Pb -","- C66 H39 B F20 Pb -","- C132 H78 B2 F40 Pb2 -","2","1","","Janssen, Marvin; Mebs, Stefan; Beckmann, Jens","Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.","Chemical communications (Cambridge, England)","2023","59","47","7267","7270","10.1039/d3cc00397c","","","0.71073","MoKα","","0.0333","0.0256","","","0.0508","0.0526","","","","","","1.044","","","","has coordinates","284858","2023-07-05","09:03:40",""
"7131672","7.5511","0.0004","11.4435","0.0008","26.3091","0.0016","90","","92.902","0.005","90","","2270.5","0.2","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","CP-Py-2-DCB","","- C56 H34 Cl4 O8 -","- C56 H34 Cl4 O8 -","- C112 H68 Cl8 O16 -","2","0.5","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.71073","MoKα","","0.132","0.072","","","0.1678","0.1916","","","","","","1.036","","","","has coordinates","284856","2023-07-05","09:01:20",""
"7131673","7.5864","0.0017","9.404","0.003","13.016","0.003","78.06","0.02","86.453","0.017","67.84","0.02","841.3","0.4","113","","113","","","","","","","","","3","P -1","-P 1","2","","CP-Py-3","","- C44 H26 O8 -","- C44 H26 O8 -","- C44 H26 O8 -","1","0.5","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.81111","synchrotron","","0.2777","0.2112","","","0.5583","0.5974","","","","","","2.114","","","","has coordinates","284856","2023-07-05","09:01:24",""
"7131674","27.5399","0.0014","11.8206","0.0008","7.2355","0.0004","90","","92.898","0.005","90","","2352.4","0.2","113","","113","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","CP-Py-2-TCB","","- C56 H32 Cl6 O8 -","- C56 H32 Cl6 O8 -","- C112 H64 Cl12 O16 -","2","0.25","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.71073","MoKα","","0.0962","0.0609","","","0.1299","0.1434","","","","","","1.047","","","","has coordinates,has disorder","284856","2023-07-05","09:01:35",""
"7131675","23.482","0.0013","17.2143","0.001","7.5294","0.0003","90","","94.013","0.005","90","","3036.1","0.3","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","4,5,9,10-Tetrakis(4-carboxyphenyl)pyrene N,N-dimethylaniline solvate","","- C44 H26 O8 -","- C44 H26 O8 -","- C88 H52 O16 -","2","0.25","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.811","synchrotron","","0.1024","0.0911","","","0.3094","0.3208","","","","","","1.232","","","","has coordinates,has disorder","284856","2023-07-05","09:01:38",""
"7131676","6.7428","0.0003","15.8023","0.0009","27.6306","0.0012","90","","93.044","0.004","90","","2939.9","0.2","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CP-Py-1-TCB","","- C44 H26 O8 -","- C44 H26 O8 -","- C88 H52 O16 -","2","0.5","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.71073","MoKα","","0.1261","0.0957","","","0.3012","0.3294","","","","","","1.044","","","","has coordinates","284856","2023-07-05","09:01:41",""
"7131677","7.4693","0.0004","14.233","0.002","24.172","0.0016","90","","94.08","0.006","90","","2563.2","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","CP-Py-2-DMAni","","- C68 H59 N3 O8 -","- C68 H59 N3 O8 -","- C136 H118 N6 O16 -","2","0.5","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.811","synchrotron","","0.2104","0.121","","","0.3631","0.412","","","","","","1.255","","","","has coordinates,has disorder","284856","2023-07-05","09:01:44",""
"7131678","7.6554","0.0013","15.342","0.003","24.524","0.005","90","","94.763","0.018","90","","2870.4","0.9","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5,9,10-Tetrakis(4-carboxyphenyl)pyrene","","- C77 H56 O8 -","- C77 H56 O8 -","- C154 H112 O16 -","2","0.5","","Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro","Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene.","Chemical communications (Cambridge, England)","2023","59","47","7224","7227","10.1039/d3cc01877f","","x-ray","0.71073","MoKα","","0.3606","0.1408","","","0.341","0.4412","","","","","","1.02","","","","has coordinates,has disorder","284856","2023-07-05","09:01:47",""
"7131679","17.4509","0.0007","12.4727","0.0005","17.6236","0.0007","90","","112.121","0.002","90","","3553.6","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C176 H112 Cl8 N24 -","8","1","","Bera, Debasish; Sarkar, Rajib; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Aqueous mediated iodine catalyzed C-N coupling followed by C-C coupling towards 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2023","59","50","7771","7774","10.1039/d3cc01631e","","","0.71073","MoKα","","0.0878","0.0573","","","0.1464","0.1607","","","","","","1.025","","","","has coordinates","284848","2023-07-05","08:52:56",""
"7131680","9.5735","0.0004","12.6239","0.0005","28.8448","0.0012","90","","93.918","0.002","90","","3477.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F2 N3 -","- C22 H13 F2 N3 -","- C176 H104 F16 N24 -","8","2","","Bera, Debasish; Sarkar, Rajib; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Aqueous mediated iodine catalyzed C-N coupling followed by C-C coupling towards 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2023","59","50","7771","7774","10.1039/d3cc01631e","","","0.71073","MoKα","","0.0861","0.0559","","","0.1561","0.1741","","","","","","1.028","","","","has coordinates","284848","2023-07-05","08:52:56",""
"7131681","19.681","0.0007","10.2423","0.0004","10.6706","0.0004","90","","90","","90","","2150.97","0.14","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H38 Cl2 F12 N4 -","- C43 H38 Cl2 F12 N4 -","- C86 H76 Cl4 F24 N8 -","2","0.5","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.0889","0.0732","","","0.1876","0.1993","","","","","","1.056","","","","has coordinates","284868","2023-07-05","09:10:39",""
"7131682","21.8214","0.0016","13.2329","0.001","20.7744","0.0016","90","","90","","90","","5998.8","0.8","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58 H74 F12 N5 O -","- C58 H74 F12.2737 N5 O -","- C232 H296 F49.0948 N20 O4 -","4","1","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.1566","0.073","","","0.192","0.2574","","","","","","1.021","","","","has coordinates","284868","2023-07-05","09:10:40",""
"7131683","11.1101","0.0015","20.791","0.003","21.126","0.003","90","","101.012","0.002","90","","4790","1.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Br F12 N5 O -","- C47 H52 Br F12 N5 O -","- C188 H208 Br4 F48 N20 O4 -","4","1","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.0972","0.0899","","","0.2291","0.2365","","","","","","1.163","","","","has coordinates","284868","2023-07-05","09:10:40",""
"7131684","25.1735","0.0008","9.9028","0.0003","18.7477","0.0006","90","","104.647","0.002","90","","4521.7","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 F12 N4 O2 -","- C44 H44 F11.98 N4 O2 -","- C176 H176 F47.92 N16 O8 -","4","0.5","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.052","0.0433","","","0.1163","0.1213","","","","","","1.075","","","","has coordinates","284868","2023-07-05","09:10:40",""
"7131685","11.118","0.007","20.761","0.014","21.874","0.014","90","","102.455","0.008","90","","4930","6","164","2","164","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H100 F24 I2 N10 O2 -","- C91 H100 F24 I2 N10 O2 -","- C182 H200 F48 I4 N20 O4 -","2","0.5","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.3536","0.142","","","0.287","0.3819","","","","","","0.982","","","","has coordinates,has disorder","284868","2023-07-05","09:10:40",""
"7131686","21.6302","0.0008","13.5934","0.0005","20.6884","0.0007","90","","90","","90","","6083","0.4","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H74 Cl F12 N5 O -","- C58 H72 Cl F12 N5 O -","- C232 H288 Cl4 F48 N20 O4 -","4","1","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.2095","0.0957","","","0.2255","0.2847","","","","","","0.997","","","","has coordinates","284868","2023-07-05","09:10:40",""
"7131687","8.2075","0.0012","12.1341","0.0016","13.2766","0.0019","103.403","0.005","90.813","0.006","98.443","0.005","1270.7","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H15 Cl7 D Mo O2 Se -","- C19 H15 Cl7 D Mo O2 Se -","- C38 H30 Cl14 D2 Mo2 O4 Se2 -","2","1","","Zhang, Ming; Nian, Beifang; Wu, Zhibang; Guo, Jianhua; Chen, Zhuo; Yuan, Caifeng; Huang, Xuankun; Shen, Yiwen; Zhang, Hongbin; Tang, E.","Molybdenum(V)-mediated switching of the C(sp<sup>2</sup>)-Se bond of phenylselenyl-functionalized arenes or heterocycles under mild conditions.","Chemical communications (Cambridge, England)","2023","59","49","7599","7602","10.1039/d3cc01119d","","","0.71073","MoKα","","0.0792","0.0572","","","0.1433","0.1569","","","","","","0.984","","","","has coordinates","284874","2023-07-05","09:14:33",""
"7131688","12.133","0.002","7.2784","0.0013","14.645","0.002","90","","107.078","0.006","90","","1236.3","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-bromo-11H-benzo[4,5]selenopheno[3,2-b]chromen-11-one","","- C15 H7 Br O2 Se -","- C15 H7 Br O2 Se -","- C60 H28 Br4 O8 Se4 -","4","1","","Zhang, Ming; Nian, Beifang; Wu, Zhibang; Guo, Jianhua; Chen, Zhuo; Yuan, Caifeng; Huang, Xuankun; Shen, Yiwen; Zhang, Hongbin; Tang, E.","Molybdenum(V)-mediated switching of the C(sp<sup>2</sup>)-Se bond of phenylselenyl-functionalized arenes or heterocycles under mild conditions.","Chemical communications (Cambridge, England)","2023","59","49","7599","7602","10.1039/d3cc01119d","","","0.71073","MoKα","","0.0286","0.0238","","","0.051","0.0524","","","","","","1.035","","","","has coordinates","284874","2023-07-05","09:14:37",""
"7131689","11.23","0.0004","7.3747","0.0002","23.959","0.0007","90","","99.251","0.002","90","","1958.43","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 O12 S -","- C41 H34 O12 S -","- C82 H68 O24 S2 -","2","1","","Wu, Yuling; Zhou, Wu-Jingyun; Yao, Laiping; Niu, Yadi; Zhao, Hongli; Peng, Cheng; Han, Bo; Huang, Wei; Zhan, Gu","Organocatalytic atroposelective synthesis of naphthoquinone thioglycosides from aryl-naphthoquinones and thiosugars.","Chemical communications (Cambridge, England)","2023","59","47","7279","7282","10.1039/d3cc01705b","","","1.54178","CuKα","","0.0753","0.063","","","0.1785","0.1986","","","","","","0.986","","","","has coordinates,has disorder","284857","2023-07-05","09:02:03",""
"7131690","7.564","0.009","10.371","0.012","11.366","0.014","109.224","0.014","91.783","0.015","96.951","0.014","833.3","1.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C38 H40 Cl2 N2 O2 -","2","1","","Ye, Hao; Zhu, Xi-Wei; Pan, Yi-Yun; Sun, Jie; Sun, Fei; Wu, Xin-Xing","Highly regioselective and stereoselective cascade reductive cyclization of δ-ketoamide: practical access to oxa-bridged benzazepines.","Chemical communications (Cambridge, England)","2023","59","49","7587","7590","10.1039/d3cc01495a","","","0.71073","MoKα","","0.2439","0.1879","","","0.2712","0.2955","","","","","","1.355","","","","has coordinates","284880","2023-07-05","09:18:25",""
"7131691","26.3367","0.0014","26.3367","0.0014","6.5069","0.0006","90","","90","","90","","4513.3","0.5","99.99","0.1","99.99","0.1","","","","","","","","6","I -4","I -4","82","","","","- C21 H24 B N3 O6 S -","- C21 H24 B N3 O6 S -","- C168 H192 B8 N24 O48 S8 -","8","1","","Miyazaki, Ryuya; Muto, Kei; Yamaguchi, Junichiro","Chloroacetyl boronate <i>N</i>-tosylhydrazone as a versatile synthetic building block.","Chemical communications (Cambridge, England)","2023","59","48","7419","7422","10.1039/d3cc02086j","","x-ray","1.54184","CuKα","","0.1709","0.1006","","","0.2509","0.3332","","","","","","1.041","","","","has coordinates","284872","2023-07-05","09:12:58",""
"7131692","13.2505","0.0002","15.1794","0.0002","11.4864","0.0002","90","","90.823","0.002","90","","2310.07","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B Cl N3 O8 S -","- C18 H25 B Cl N3 O8 S -","- C72 H100 B4 Cl4 N12 O32 S4 -","4","1","","Miyazaki, Ryuya; Muto, Kei; Yamaguchi, Junichiro","Chloroacetyl boronate <i>N</i>-tosylhydrazone as a versatile synthetic building block.","Chemical communications (Cambridge, England)","2023","59","48","7419","7422","10.1039/d3cc02086j","","x-ray","1.54184","CuKα","","0.0574","0.0496","","","0.1268","0.132","","","","","","1.058","","","","has coordinates","284872","2023-07-05","09:13:16",""
"7131693","7.5072","0.0008","23.008","0.003","7.4733","0.0006","90","","90","","90","","1290.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Isatin","3J","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Paul, Aditya; Sengupta, Arunava; Yadav, Somnath","Visible-light driven acetoxylation and dioxygenation of indoles <i>via</i> electron donor-acceptor complexes.","Chemical communications (Cambridge, England)","2023","59","48","7455","7458","10.1039/d3cc01683h","","x-ray","0.71073","MoKα","","0.0592","0.0359","","","0.0657","0.0731","","","","","","0.975","","","","has coordinates","284866","2023-07-05","09:09:21",""
"7131694","9.6226","0.0008","17.3895","0.001","9.3029","0.0007","90","","106.767","0.009","90","","1490.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-acetoxy-indole","2K","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C68 H56 Br4 N4 O8 -","4","1","","Paul, Aditya; Sengupta, Arunava; Yadav, Somnath","Visible-light driven acetoxylation and dioxygenation of indoles <i>via</i> electron donor-acceptor complexes.","Chemical communications (Cambridge, England)","2023","59","48","7455","7458","10.1039/d3cc01683h","","x-ray","0.71073","MoKα","","0.06","0.0382","","","0.0976","0.1086","","","","","","1.117","","","","has coordinates","284866","2023-07-05","09:09:24",""
"7131695","11.6505","0.0004","12.1341","0.0004","16.4837","0.0006","90","","90.02","0.03","90","","2330.27","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","R-MP-ZnCl","","- C10 H28 Cl8 N4 Zn2 -","- C10 H28 Cl8 N4 Zn2 -","- C40 H112 Cl32 N16 Zn8 -","4","2","","Han, Xiao; Cheng, Puxin; Han, Wenqing; Shi, Rongchao; Guan, Junjie; Li, Geng; Xu, Jialiang","Circularly polarized luminescence and nonlinear optical harmonic generation based on chiral zinc halides.","Chemical communications (Cambridge, England)","2023","59","48","7447","7450","10.1039/d3cc01461d","","x-ray","0.71073","MoKα","","0.0271","0.0236","","","0.0471","0.0478","","","","","","0.971","","","","has coordinates","284864","2023-07-05","09:08:11",""
"7131696","11.6567","0.0004","12.1248","0.0004","16.4859","0.0005","90","","90.02","0.03","90","","2330.04","0.13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","S-MP-ZnCl","","- C20 H56 Cl16 N8 Zn4 -","- C20 H56 Cl16 N8 Zn4 -","- C40 H112 Cl32 N16 Zn8 -","2","1","","Han, Xiao; Cheng, Puxin; Han, Wenqing; Shi, Rongchao; Guan, Junjie; Li, Geng; Xu, Jialiang","Circularly polarized luminescence and nonlinear optical harmonic generation based on chiral zinc halides.","Chemical communications (Cambridge, England)","2023","59","48","7447","7450","10.1039/d3cc01461d","","x-ray","0.71073","MoKα","","0.0286","0.0258","","","0.0567","0.0573","","","","","","1.0239","","","","has coordinates","284864","2023-07-05","09:08:15",""
"7131697","15.168","0.01","15.529","0.01","17.352","0.011","65.517","0.009","76.901","0.01","82.058","0.01","3618","4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H70 B20 Cl2 N4 O4 -","- C77 H70 B20 Cl2 N4 O4 -","- C154 H140 B40 Cl4 N8 O8 -","2","1","","Yang, Xiaodong; Li, Haishuang; Shao, Dong; He, Gang","Carborane based chalcogen-fused phenazines for visible light induced ATRP.","Chemical communications (Cambridge, England)","2023","59","49","7643","7646","10.1039/d3cc01823g","","","0.71073","MoKα","","0.1795","0.0756","","","0.211","0.2967","","","","","","0.847","","","","has coordinates","284876","2023-07-05","09:16:01",""
"7131698","10.207","0.005","13.006","0.006","13.541","0.006","94.16","0.006","90.439","0.007","97.056","0.006","1779","1.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 B10 N2 S2 -","- C38 H34 B10 N2 S2 -","- C76 H68 B20 N4 S4 -","2","1","","Yang, Xiaodong; Li, Haishuang; Shao, Dong; He, Gang","Carborane based chalcogen-fused phenazines for visible light induced ATRP.","Chemical communications (Cambridge, England)","2023","59","49","7643","7646","10.1039/d3cc01823g","","","0.71073","MoKα","","0.0938","0.0555","","","0.1423","0.1667","","","","","","1.022","","","","has coordinates","284876","2023-07-05","09:16:04",""
"7131699","14.546","0.008","10.201","0.006","24.68","0.014","90","","95.087","0.008","90","","3648","4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 B10 N2 Se2 -","- C38 B10 N2 Se2 -","- C152 B40 N8 Se8 -","4","1","","Yang, Xiaodong; Li, Haishuang; Shao, Dong; He, Gang","Carborane based chalcogen-fused phenazines for visible light induced ATRP.","Chemical communications (Cambridge, England)","2023","59","49","7643","7646","10.1039/d3cc01823g","","","0.71073","MoKα","","0.1359","0.069","","","0.184","0.2148","","","","","","1.168","","","","has coordinates","284876","2023-07-05","09:16:05",""
"7131700","9.6026","0.0003","10.9986","0.0003","29.9514","0.0008","90","","94.869","0.003","90","","3151.91","0.16","99.97","0.1","99.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(eta3-H2iprDPB)Fe(eta3-H2Bpin)]","","- C30 H52 B2 Fe O2 P2 -","- C30 H52 B2 Fe O2 P2 -","- C120 H208 B8 Fe4 O8 P8 -","4","1","","Grose, Laura A.; Willcox, Darren","Olefin hydroboration catalyzed by an iron-borane complex.","Chemical communications (Cambridge, England)","2023","59","48","7427","7430","10.1039/d3cc00494e","","x-ray","0.71073","MoKα","","0.0498","0.0379","","","0.0789","0.0848","","","","","","1.054","","","","has coordinates","284870","2023-07-05","09:11:57",""
"7131701","7.4811","0.0001","14.9608","0.0002","20.8358","0.0002","90","","93.776","0.001","90","","2326.95","0.05","92","6","92","6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O6.03 S2 -","- C25 H24 O6.03 S2 -","- C100 H96 O24.12 S8 -","4","1","","Reddy, Mandapati Bhargava; McGarrigle, Eoghan M.","Iodine-mediated photoinduced tuneable disulfonylation and sulfinylsulfonylation of alkynes with sodium arylsulfinates.","Chemical communications (Cambridge, England)","2023","59","50","7767","7770","10.1039/d3cc02011h","","x-ray","1.54184","CuKα","","0.0394","0.0349","","","0.0892","0.093","","","","","","1.023","","","","has coordinates,has disorder","284854","2023-07-05","09:00:17",""
"7131702","13.8596","0.0008","26.555","0.0017","29.2504","0.0016","90","","90","","90","","10765.4","1.1","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H48 Br32 Cl N Si32 -","- C16 H48 Br32 Cl N Si32 -","- C64 H192 Br128 Cl4 N4 Si128 -","4","0.5","","Bamberg, Marcel; Gasevic, Thomas; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Grimme, Stefan; Bursch, Markus; Wagner, Matthias","Brominated [20]silafulleranes: pushing the limits of steric loading.","Chemical communications (Cambridge, England)","2023","59","48","7459","7462","10.1039/d3cc02142d","","","0.71073","MoKα","","0.0806","0.0396","","","0.0822","0.087","","","","","","0.724","","","","has coordinates,has disorder","284871","2023-07-05","09:12:30",""
"7131703","15.2828","0.0003","26.6284","0.0006","29.007","0.0011","90","","91.721","0.002","90","","11799.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Br44 Cl N Si32 -","- C16 H36 Br44 Cl N Si32 -","- C64 H144 Br176 Cl4 N4 Si128 -","4","0.5","","Bamberg, Marcel; Gasevic, Thomas; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Grimme, Stefan; Bursch, Markus; Wagner, Matthias","Brominated [20]silafulleranes: pushing the limits of steric loading.","Chemical communications (Cambridge, England)","2023","59","48","7459","7462","10.1039/d3cc02142d","","x-ray","0.56002","synchrotron","","0.0688","0.0576","","","0.1582","0.1642","","","","","","1.094","","","","has coordinates,has disorder","284871","2023-07-05","09:12:32",""
"7131704","59.677","0.002","59.677","0.002","59.677","0.002","90","","90","","90","","212530","12","100","","100","","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C369 H702 N94 O130 Zr6 -","- C87 H53 O36 Zr6 -","- C2088 H1272 O864 Zr144 -","24","0.25","","Ortín-Rubio, Borja; Perona-Bermejo, Cristina; Suárez Del Pino, José A; Carmona, Francisco J.; Gándara, Felipe; Navarro, Jorge A. R.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","A mesoporous Zr-based metal-organic framework driven by the assembly of an octatopic linker.","Chemical communications (Cambridge, England)","2023","59","50","7803","7806","10.1039/d3cc01831h","","","0.82656","synchrotron","","0.145","0.1167","","","0.3015","0.3217","","","","","","1.186","","","","has coordinates,has disorder","284852","2023-07-05","08:57:52",""
"7131705","8.3144","0.0003","9.8167","0.0004","20.8013","0.0007","90","","99.087","0.007","90","","1676.49","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C72 H72 O16 S4 -","4","1","","Takatsuki, Masaharu; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Sako, Makoto","Heteroannulation of bicyclobutane derivatives <i>via</i> Au-catalyzed hydration to enol ethers and intramolecular cyclization giving spirocyclobutanes.","Chemical communications (Cambridge, England)","2023","59","48","7467","7470","10.1039/d3cc01955a","","","1.54187","CuKα","","0.0916","0.0569","","","0.1426","0.161","","","","","","1.026","","","","has coordinates","284869","2023-07-05","09:11:18",""
"7131706","11.154","0.002","8.1794","0.0013","17.502","0.003","90","","96.951","0.004","90","","1585","0.5","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C72 H72 O16 S4 -","4","1","","Takatsuki, Masaharu; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Sako, Makoto","Heteroannulation of bicyclobutane derivatives <i>via</i> Au-catalyzed hydration to enol ethers and intramolecular cyclization giving spirocyclobutanes.","Chemical communications (Cambridge, England)","2023","59","48","7467","7470","10.1039/d3cc01955a","","","0.71075","MoKα","","0.0821","0.0695","","","0.1827","0.1891","","","","","","1.018","","","","has coordinates,has disorder","284869","2023-07-05","09:11:32",""
"7131707","4.925","0.001","21.683","0.004","24.35","0.005","90","","90","","90","","2600.3","0.9","100","2","100","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N2 O5 -","- C32 H28 N2 O5 -","- C128 H112 N8 O20 -","4","1","","Adorinni, Simone; Goti, Giulio; Rizzo, Lorenzo; Grassi, Federica; Kralj, Slavko; Matroodi, Fatima; Natali, Mirco; De Zorzi, Rita; Marchesan, Silvia; Dell'Amico, Luca","Self-assembly of benzophenone-diphenylalanine conjugate into a nanostructured photocatalyst.","Chemical communications (Cambridge, England)","2023","59","49","7619","7622","10.1039/d3cc01673k","","x-ray","0.7","Synchrotron","","0.1538","0.0749","","","0.1767","0.2266","","","","","","0.963","","","","has coordinates","284879","2023-07-05","09:18:05",""
"7131708","19.4725","0.0006","19.4725","0.0006","9.2892","0.0004","90","","90","","90","","3522.3","0.2","193","2","193","","","","","","","","","4","I 4","I 4","79","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Jiajun; Zhai, Xinyi; Ji, Cheng-Long; Li, Weipeng; Xie, Jin","Dinuclear-gold-catalyzed cyclization of 1,7-enynes with alkyl bromides.","Chemical communications (Cambridge, England)","2023","59","51","7943","7946","10.1039/d3cc02317f","","","1.34139","GaKα","","0.0369","0.0327","","","0.0742","0.0764","","","","","","1.065","","","","has coordinates","284834","2023-07-05","08:45:59",""
"7131709","5.0975","0.0001","36.4142","0.0005","10.0043","0.0001","90","","95.264","0.001","90","","1849.18","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C68 H96 N16 O24 -","4","2","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0396","0.0344","","","0.0919","0.0945","","","","","","1.058","","","","has coordinates,has disorder","284853","2023-07-05","08:58:32",""
"7131710","5.06945","0.00011","9.75039","0.00014","19.4424","0.0003","85.4911","0.0012","88.8333","0.0015","77.8317","0.0015","936.51","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C34 H48 N8 O12 -","2","2","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0513","0.043","","","0.1084","0.1156","","","","","","1.062","","","","has coordinates,has disorder","284853","2023-07-05","08:58:59",""
"7131711","5.0732","0.0001","36.4013","0.0003","10.0547","0.0001","90","","95.365","0.001","90","","1848.68","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H96 N16 O24 -","- C68 H96 N16 O24 -","- C68 H96 N16 O24 -","1","0.5","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0371","0.0338","","","0.0868","0.0886","","","","","","1.055","","","","has coordinates,has disorder","284853","2023-07-05","08:59:21",""
"7131712","5.0665","0.0001","9.7541","0.0002","19.4423","0.0003","85.388","0.002","88.841","0.001","77.804","0.002","936.09","0.03","99.96","0.12","99.96","0.12","","","","","","","","4","P 1","P 1","1","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C34 H48 N8 O12 -","2","2","","Ma, Liulei; Zheng, Qixuan; Unruh, Daniel K.; Hutchins, Kristin M.","Reversible interconversion of pharmaceutical salt polymorphs facilitated by mechanical methods.","Chemical communications (Cambridge, England)","2023","59","50","7779","7782","10.1039/d3cc02188b","","x-ray","1.54184","CuKα","","0.0507","0.0443","","","0.1177","0.1243","","","","","","1.037","","","","has coordinates,has disorder","284853","2023-07-05","08:59:42",""
"7131713","15.3311","0.0002","10.06926","0.00011","13.62417","0.00019","90","","101.312","0.0013","90","","2062.34","0.05","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H26 B N O6 -","- C22 H26 B N O6 -","- C88 H104 B4 N4 O24 -","4","2","","Halford-McGuff, John M; Cordes, David B.; Watson, Allan J. B.","Synthesis of complex aryl MIDA boronates by Rh-catalyzed [2+2+2] cycloaddition.","Chemical communications (Cambridge, England)","2023","59","50","7759","7762","10.1039/d3cc00761h","","x-ray","1.54184","CuKα","","0.0475","0.043","","","0.1176","0.1224","","","","","","1.061","","","","has coordinates","284850","2023-07-05","08:54:51",""
"7131714","15.125","0.0004","7.7985","0.0002","12.6248","0.0003","90","","95.692","0.002","90","","1481.78","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Halford-McGuff, John M; Cordes, David B.; Watson, Allan J. B.","Synthesis of complex aryl MIDA boronates by Rh-catalyzed [2+2+2] cycloaddition.","Chemical communications (Cambridge, England)","2023","59","50","7759","7762","10.1039/d3cc00761h","","x-ray","0.71073","MoKα","","0.0533","0.0393","","","0.0957","0.1017","","","","","","1.035","","","","has coordinates,has disorder","284850","2023-07-05","08:55:10",""
"7131715","13.106","0.0004","9.9589","0.0003","13.1775","0.0005","90","","91.771","0.004","90","","1719.12","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B N O6 -","- C17 H22 B N O6 -","- C68 H88 B4 N4 O24 -","4","1","","Halford-McGuff, John M; Cordes, David B.; Watson, Allan J. B.","Synthesis of complex aryl MIDA boronates by Rh-catalyzed [2+2+2] cycloaddition.","Chemical communications (Cambridge, England)","2023","59","50","7759","7762","10.1039/d3cc00761h","","x-ray","0.71073","MoKα","","0.059","0.0402","","","0.0952","0.1031","","","","","","1.034","","","","has coordinates","284850","2023-07-05","08:55:22",""
"7131716","10.6573","0.0002","34.0386","0.0006","14.0166","0.0002","90","","97.905","0.002","90","","5036.34","0.15","120.15","","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cl14 Sb2 -","- C43 H28 Cl14 Sb2 -","- C172 H112 Cl56 Sb8 -","4","1","","Nishiuchi, Tomohiko; Uchida, Kazuyuki; Kubo, Takashi","Synthesis and structural evaluation of closed-shell folded and open-shell twisted hexabenzo[5.6.7]quinarene.","Chemical communications (Cambridge, England)","2023","59","48","7379","7382","10.1039/d3cc02157b","","x-ray","0.71073","MoKα","","0.0737","0.0456","","","0.1071","0.1177","","","","","","1.042","","","","has coordinates,has disorder","284865","2023-07-05","09:08:52",""
"7131717","26.2349","0.0011","10.4272","0.0003","24.3603","0.001","90","","123.766","0.006","90","","5539.8","0.5","120.15","","120.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 -","- C42 H26 -","- C336 H208 -","8","1","","Nishiuchi, Tomohiko; Uchida, Kazuyuki; Kubo, Takashi","Synthesis and structural evaluation of closed-shell folded and open-shell twisted hexabenzo[5.6.7]quinarene.","Chemical communications (Cambridge, England)","2023","59","48","7379","7382","10.1039/d3cc02157b","","x-ray","0.71073","MoKα","","0.0711","0.0456","","","0.0998","0.108","","","","","","1.061","","","","has coordinates","284865","2023-07-05","09:09:06",""
"7131718","20.642","0.002","20.651","0.003","28.167","0.004","92.828","0.006","96.711","0.006","111.522","0.005","11038","3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C368 H508 Co16 N40 O132 S16 -","- C248 H228 Co16 O92 S16 -","- C248 H228 Co16 O92 S16 -","1","0.5","","Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D.","Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02015K","","","1.54178","CuKα","","0.1871","0.1579","","","0.4143","0.4364","","","","","","1.746","","","","has coordinates","284028","2023-05-26","22:06:15",""
"7131719","28.889","0.005","27.244","0.005","29.476","0.005","90","","91.802","0.007","90","","23188","7","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C189 H255 Cl4 N21 O67 Zr12 -","- C126 H108 Cl4 O46 Zr12 -","- C504 H432 Cl16 O184 Zr48 -","4","0.5","","Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D.","Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02015K","","","1.54178","CuKα","","0.1009","0.0869","","","0.2407","0.2564","","","","","","1.067","","","","has coordinates,has disorder","284028","2023-05-26","22:06:15",""
"7131720","20.646","0.003","20.661","0.003","27.97","0.004","96.343","0.005","92.698","0.005","112.58","0.005","10897","3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C374 H550 Co16 N74 O134 S16 -","- C224 H200 Co16 N24 O84 S16 -","- C224 H200 Co16 N24 O84 S16 -","1","0.5","","Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D.","Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02015K","","","1.54178","CuKα","","0.212","0.1419","","","0.3661","0.3988","","","","","","1.067","","","","has coordinates","284028","2023-05-26","22:06:15",""
"7131721","29.144","0.003","26.347","0.003","29.344","0.003","90","","91.235","0.004","90","","22527","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H234 Cl4 N38 O60 Zr12 -","- C108 H94 Cl4 N18 O40 Zr12 -","- C432 H376 Cl16 N72 O160 Zr48 -","4","0.5","","Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D.","Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02015K","","","1.54178","CuKα","","0.1076","0.0791","","","0.2258","0.2568","","","","","","1.049","","","","has coordinates,has disorder","284028","2023-05-26","22:06:15",""
"7131722","33.5754","0.0018","33.5754","0.0018","17.864","0.0011","90","","90","","90","","20138","2","150","","150","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C78 H68 Cl2 N2 O28 Zr6 -","- C78 H74 Cl2 N2 O28 Zr6 -","- C624 H592 Cl16 N16 O224 Zr48 -","8","0.5","","Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D.","Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02015K","","","1.54178","CuKα","","0.0939","0.073","","","0.2028","0.2214","","","","","","1.046","","","","has coordinates,has disorder","284028","2023-05-26","22:06:16",""
"7131723","7.9211","0.0002","8.4929","0.0002","24.4236","0.0007","90","","90","","90","","1643.05","0.07","293","2","293.42","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N5 O -","- C18 H16 N5 O -","- C72 H64 N20 O4 -","4","1","","Lin, Cheng-Zhou; Jiang, Ling-Feng; Zhang, Guang-Yi; Zhou, Fang-Shuai; Wu, Shao-Hua; Cao, Jing; Deng, Qing-Hai","Enantioselective synthesis of 3a-azido-pyrroloindolines by copper-catalyzed asymmetric dearomative azidation of tryptamines.","Chemical communications (Cambridge, England)","2023","59","50","7831","7834","10.1039/d3cc01438j","","","1.54178","CuKα","","0.0465","0.0406","","","0.1108","0.1139","","","","","","1.077","","","","has coordinates","284855","2023-07-05","09:00:44",""
"7131724","11.34363","0.00018","9.78579","0.00015","15.6829","0.0002","90","","93.0143","0.0014","90","","1738.49","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O4 P -","- C20 H18 N O4 P -","- C80 H72 N4 O16 P4 -","4","1","","Yang, Zhongzhen; Tam, Jerry K. F.; Wootton, Jack M.; Lynam, Jason M.; Unsworth, William P.","Ring expansion reactions of PO-containing molecules.","Chemical communications (Cambridge, England)","2023","59","51","7927","7930","10.1039/d3cc02087h","","x-ray","1.54184","CuKα","","0.0333","0.0305","","","0.0763","0.078","","","","","","1.042","","","","has coordinates","284837","2023-07-05","08:47:06",""
"7131725","28.49","0.008","7.868","0.002","27.678","0.007","90","","90.235","0.007","90","","6204","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C264 H280 N24 O48 -","- C264 H280 N24 O48 -","- C264 H280 N24 O48 -","1","0.125","","Akhdar, Ayman; Nauton, Lionel; Jouffret, Laurent; Faure, Sophie; Gautier, Arnaud","Cage-like structures based on constrained cyclic arylopeptoids.","Chemical communications (Cambridge, England)","2023","59","52","8087","8090","10.1039/d3cc01956j","","","0.71073","MoKα","","0.2249","0.1313","","","0.3281","0.3843","","","","","","1.041","","","","has coordinates","284842","2023-07-05","08:50:03",""
"7131726","8.6172","0.0003","11.8062","0.0005","21.5472","0.0009","90","","90","","90","","2192.13","0.15","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(C3H10N)3PbBr5","","- C9 H30 Br5 N3 Pb -","- C9 H30 Br5 N3 Pb -","- C36 H120 Br20 N12 Pb4 -","4","1","","Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan","Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.","Chemical communications (Cambridge, England)","2023","59","52","8111","8114","10.1039/d3cc02098c","","x-ray","0.71073","MoKα","","0.047","0.0353","","","0.0891","0.1142","","","","","","1.16","","","","has coordinates,has disorder","284839","2023-07-05","08:48:34",""
"7131727","7.9087","0.0002","8.9042","0.0003","24.2405","0.0008","90","","90","","90","","1707.03","0.09","199.99","0.1","199.99","0.1","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C6 H14 Br4 F6 N2 Pb -","- C6 H14 Br4 F6 N2 Pb -","- C24 H56 Br16 F24 N8 Pb4 -","4","1","","Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan","Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.","Chemical communications (Cambridge, England)","2023","59","52","8111","8114","10.1039/d3cc02098c","","x-ray","1.54184","CuKα","","0.0622","0.0592","","","0.1555","0.1587","","","","","","1.03","","","","has coordinates","284839","2023-07-05","08:48:37",""
"7131728","24.248","0.0002","8.90729","0.00007","7.91028","0.00007","90","","90","","90","","1708.49","0.02","200","0.1","200","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H14 Br4 F6 N2 Pb -","- C6 H14 Br4 F6 N2 Pb -","- C24 H56 Br16 F24 N8 Pb4 -","4","1","","Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan","Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.","Chemical communications (Cambridge, England)","2023","59","52","8111","8114","10.1039/d3cc02098c","","x-ray","1.54184","CuKα","","0.0636","0.0627","","","0.193","0.1944","","","","","","1.123","","","","has coordinates","284839","2023-07-05","08:48:38",""
"7131729","9.8325","0.0003","15.373","0.0005","17.1794","0.0005","90","","93.668","0.003","90","","2591.43","0.14","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H45 Li N4 Si -","- C22 H45 Li N4 Si -","- C88 H180 Li4 N16 Si4 -","4","1","","Barker, Jordan; Davison, Nathan; Waddell, Paul G.; Lu, Erli","Monomeric lithium and sodium silylbenzyl complexes: syntheses, structures, and CO bond olefination.","Chemical communications (Cambridge, England)","2023","59","52","8083","8086","10.1039/d3cc01376f","","x-ray","1.54184","CuKα","","0.0479","0.0398","","","0.1067","0.1117","","","","","","1.037","","","","has coordinates","284841","2023-07-05","08:49:26",""
"7131730","14.0881","0.0006","9.606","0.0004","20.0799","0.0008","90","","102.389","0.004","90","","2654.14","0.19","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 N4 Na Si -","- C22 H45 N4 Na Si -","- C88 H180 N16 Na4 Si4 -","4","1","","Barker, Jordan; Davison, Nathan; Waddell, Paul G.; Lu, Erli","Monomeric lithium and sodium silylbenzyl complexes: syntheses, structures, and CO bond olefination.","Chemical communications (Cambridge, England)","2023","59","52","8083","8086","10.1039/d3cc01376f","","x-ray","1.54184","CuKα","","0.0428","0.0373","","","0.0996","0.1029","","","","","","1.034","","","","has coordinates","284841","2023-07-05","08:49:41",""
"7131731","11.014","0.001","14.2677","0.0014","15.3705","0.0014","84.99","0.003","75.303","0.002","67.883","0.002","2164.4","0.4","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H42 Cl2 Cu2 F12 N8 O2 P2 -","- C37 H42 Cl2 Cu2 F12 N8 O2 P2 -","- C74 H84 Cl4 Cu4 F24 N16 O4 P4 -","2","1","","Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.","Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.","Chemical communications (Cambridge, England)","2023","59","52","8079","8082","10.1039/d3cc01251d","","","0.71073","MoKα","","0.0713","0.0519","","","0.121","0.1313","","","","","","1.093","","","","has coordinates","284840","2023-07-05","08:48:57",""
"7131732","10.7845","0.0013","11.1594","0.0014","11.3909","0.0014","72.04","0.004","88.325","0.004","68.64","0.003","1209.1","0.3","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 N2 -","- C34 H28 N2 -","- C68 H56 N4 -","2","1","","Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.","Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.","Chemical communications (Cambridge, England)","2023","59","52","8079","8082","10.1039/d3cc01251d","","","0.71073","MoKα","","0.0572","0.0477","","","0.1139","0.1211","","","","","","1.025","","","","has coordinates","284840","2023-07-05","08:49:08",""
"7131733","8.0166","0.0004","13.4004","0.0006","15.2143","0.0007","90","","90","","90","","1634.41","0.13","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H17 Br N -","- C21 H17 Br N -","- C84 H68 Br4 N4 -","4","0.5","","Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.","Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.","Chemical communications (Cambridge, England)","2023","59","52","8079","8082","10.1039/d3cc01251d","","","0.71073","MoKα","","0.0242","0.0215","","","0.057","0.0583","","","","","","1.076","","","","has coordinates,has disorder","284840","2023-07-05","08:49:09",""
"7131734","18.6792","0.0008","26.1398","0.0013","15.8494","0.0006","90","","112.9","0.002","90","","7128.9","0.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H104 Mg4 N4 O4 -","- C73 H104 Mg4 N4 O4 -","- C292 H416 Mg16 N16 O16 -","4","0.5","","Seifert, Fabian; Görls, Helmar; Kupfer, Stephan; Kretschmer, Robert","A tetranuclear magnesium hydride cluster with a four-coordinate hydride in near square-planar geometry.","Chemical communications (Cambridge, England)","2023","59","49","7627","7630","10.1039/d3cc01608k","","","0.71073","MoKα","","0.1264","0.0851","","","0.1438","0.1586","","","","","","1.178","","","","has coordinates","284875","2023-07-05","09:15:20",""
"7131735","8.6237","0.0002","16.238","0.0004","23.7002","0.0007","104.51","0.001","97.671","0.001","91.644","0.002","3177.49","0.14","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H96 Mg4 N4 O4 -","- C66 H96 Mg4 N4 O4 -","- C132 H192 Mg8 N8 O8 -","2","1","","Seifert, Fabian; Görls, Helmar; Kupfer, Stephan; Kretschmer, Robert","A tetranuclear magnesium hydride cluster with a four-coordinate hydride in near square-planar geometry.","Chemical communications (Cambridge, England)","2023","59","49","7627","7630","10.1039/d3cc01608k","","","0.71073","MoKα","","0.1045","0.0736","","","0.1413","0.1571","","","","","","1.098","","","","has coordinates,has disorder","284875","2023-07-05","09:15:26",""
"7131736","8.022","0.0001","8.2914","0.0001","10.1712","0.0001","76.898","0.001","85.404","0.001","62.195","0.001","582.577","0.013","100","","100","","","","","","","","","3","P 1","P 1","1","","tert-butyl 2-((R)-((R)-2-formyl-3-phenyl-1H-inden-1-yl)(phenyl)methyl)acrylate","","- C30 H28 O3 -","- C30 H28 O3 -","- C30 H28 O3 -","1","1","","Cieśliński, Adam; Frankowski, Sebastian; Albrecht, Łukasz","Pentaenolate activation in the organocatalytic allylic alkylation of indene-2-carbaldehydes.","Chemical communications (Cambridge, England)","2023","59","49","7655","7658","10.1039/d3cc00900a","","x-ray","1.54184","CuKα","","0.0219","0.0219","","","0.0572","0.0573","","","","","","1.033","","","","has coordinates","284873","2023-07-05","09:14:03",""
"7131737","13.215","0.002","13.961","0.002","32.976","0.003","80.96","0.02","81.34","0.03","65.17","0.03","5428.6","1.8","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C117 H121 N5 O18 Si8 -","- C117 H121 N5 O18 Si8 -","- C234 H242 N10 O36 Si16 -","2","1","","Grzelczak, Rafał A; Władyczyn, Anna; Białońska, Agata; John, Łukasz; Szyszko, Bartosz","POSSaxanes: active-template synthesis of organic-inorganic rotaxanes incorporating cubic silsesquioxane stoppers.","Chemical communications (Cambridge, England)","2023","59","49","7579","7582","10.1039/d3cc01706k","","x-ray","1.54184","CuKα","","0.2051","0.0905","","","0.2322","0.3005","","","","","","1.011","","","","has coordinates,has disorder","284877","2023-07-05","09:16:34",""
"7131738","14.151","0.002","15.072","0.002","46.449","0.003","89.53","0.02","84.35","0.02","87.5","0.02","9849","2","100","2","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C95 H133 N5 O17 Si8 -","- C95 H133 N5 O17 Si8 -","- C380 H532 N20 O68 Si32 -","4","2","","Grzelczak, Rafał A; Władyczyn, Anna; Białońska, Agata; John, Łukasz; Szyszko, Bartosz","POSSaxanes: active-template synthesis of organic-inorganic rotaxanes incorporating cubic silsesquioxane stoppers.","Chemical communications (Cambridge, England)","2023","59","49","7579","7582","10.1039/d3cc01706k","","x-ray","1.54184","CuKα","","0.0639","0.055","","","0.1522","0.1583","","","","","","1.056","","","","has coordinates,has disorder","284877","2023-07-05","09:16:35",""
"7131739","23.399","0.0007","23.399","0.0007","57.171","0.004","90","","90","","120","","27108","2","90.15","","90.15","","","","","","","","","7","R -3 :H","-R 3","148","","Cu58","","- C270 H414 B Cu58 F4 P8 S36 -","- C270 H414 B2 Cu58 F8 P8 S36 -","- C810 H1242 B6 Cu174 F24 P24 S108 -","3","0.166667","","Biswas, Sourav; Hossain, Sakiat; Kosaka, Taiga; Sakai, Jin; Arima, Daichi; Niihori, Yoshiki; Mitsui, Masaaki; Jiang, De-en; Das, Saikat; Wang, Song; Negishi, Yuichi","Nested Keplerian architecture of [Cu58H20(SPr)36(PPh3)8]2+ nanocluster","Chemical Communications","2023","","","","","10.1039/D3CC01811C","","","0.71073","MoKα","","0.1114","0.0587","","","0.1672","0.2028","","","","","","1.064","","","","has coordinates","284539","2023-06-29","07:55:16",""
"7131740","9.9442","0.001","11.3228","0.001","10.8455","0.001","90","","92.163","0.003","90","","1220.3","0.2","299","","299","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H23 N O2 S Se -","- C28 H23 N O2 S Se -","- C56 H46 N2 O4 S2 Se2 -","2","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","An electrochemical cascade process: synthesis of 3-selenylindoles from 2-alkynylanilines with diselenides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02294c","","","0.71073","MoKα","","0.0364","0.0299","","","0.0655","0.0698","","","","","","1.018","","","","has coordinates","284540","2023-06-29","07:56:30",""
"7131741","5.9597","0.0004","18.6637","0.0015","20.644","0.0013","90","","90","","90","","2296.2","0.3","299","","299","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S Se -","- C27 H21 N O2 S Se -","- C108 H84 N4 O8 S4 Se4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","An electrochemical cascade process: synthesis of 3-selenylindoles from 2-alkynylanilines with diselenides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02294c","","","0.71073","MoKα","","0.045","0.0351","","","0.0808","0.0856","","","","","","1.0275","","","","has coordinates","284540","2023-06-29","07:56:34",""
"7131742","9.2135","0.0004","9.3766","0.0005","16.6513","0.0008","94.788","0.002","105.748","0.002","94.997","0.002","1370.64","0.12","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","tris(acetylacetonato)(2,2'-bipyrimidine)dysprosium(III) methanol solvate","","- C24 H31 Dy N4 O7 -","- C24 H31 Dy N4 O7 -","- C48 H62 Dy2 N8 O14 -","2","1","","Bispo-Jr, Airton Germano; Yeh, Laurence; Errulat, Dylan; Gálico, Diogo Alves; Sigoli, Fernando Aparecido; Murugesu, Muralee","Improving the performance of β-diketonate-based Dy<sup>III</sup> single-molecule magnets displaying luminescence thermometry.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02148c","","","0.71073","MoKα","","0.0289","0.023","","","0.0481","0.0502","","","","","","1.056","","","","has coordinates","284541","2023-06-29","07:57:27",""
"7131743","26.0785","0.0008","31.5718","0.0008","22.0025","0.0007","90","","90","","90","","18115.7","0.9","90","2","90","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C110 H68 Cl6 Ir2 N8 O4 -","- C110 H68 Cl6 Ir2 N8 O4 -","- C880 H544 Cl48 Ir16 N64 O32 -","8","0.5","","Okayasu, Yoshinori; Miyahara, Takuya; Shimada, Rintaro; Nagai, Yuki; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic dinuclear iridium(III) complexes having phenoxyl-imidazolyl radical complex derivatives.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02208k","","","0.71073","MoKα","","0.0249","0.0243","","","0.0793","0.0806","","","","","","0.76","","","","has coordinates,has disorder","284542","2023-06-29","07:58:43",""
"7131744","15.7423","0.0003","38.0032","0.0008","24.3288","0.0005","90","","106.201","0.001","90","","13976.9","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H132 Cl2 Ir2 N8 O4 -","- C139.686 H132.314 Cl2 Ir2 N8 O4 -","- C558.744 H529.256 Cl8 Ir8 N32 O16 -","4","0.5","","Okayasu, Yoshinori; Miyahara, Takuya; Shimada, Rintaro; Nagai, Yuki; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic dinuclear iridium(III) complexes having phenoxyl-imidazolyl radical complex derivatives.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02208k","","","0.71073","MoKα","","0.0226","0.0209","","","0.0853","0.0876","","","","","","0.78","","","","has coordinates,has disorder","284542","2023-06-29","07:58:46",""
"7131745","8.24888","0.00018","8.64551","0.00016","24.3498","0.0005","90","","90","","90","","1736.52","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O7 -","- C15 H22 N2 O7 -","- C60 H88 N8 O28 -","4","1","","Chen, Yun-Xuan; Han, Tian-Jiao; Xiao, Xiao; Wang, Min-Can; Mei, Guang-Jian","Catalytic asymmetric interrupted Attanasi reaction: access to fused 2,3-dihydropyrroles with vicinal quaternary carbons.","Chemical communications (Cambridge, England)","2023","59","52","8103","8106","10.1039/d3cc02172f","","x-ray","1.54184","CuKα","","0.0454","0.0427","","","0.113","0.116","","","","","","1.027","","","","has coordinates,has disorder","284543","2023-06-29","08:00:05",""
"7131746","9.4928","0.0009","9.8026","0.0009","11.3802","0.0008","102.528","0.007","110.036","0.008","102.007","0.008","924.02","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H48 N4 O14 -","- C32 H48 N4 O14 -","- C32 H48 N4 O14 -","1","0.5","","Chen, Yun-Xuan; Han, Tian-Jiao; Xiao, Xiao; Wang, Min-Can; Mei, Guang-Jian","Catalytic asymmetric interrupted Attanasi reaction: access to fused 2,3-dihydropyrroles with vicinal quaternary carbons.","Chemical communications (Cambridge, England)","2023","59","52","8103","8106","10.1039/d3cc02172f","","x-ray","1.54184","CuKα","","0.075","0.0544","","","0.1335","0.1674","","","","","","1.06","","","","has coordinates,has disorder","284543","2023-06-29","08:00:22",""
"7131747","17.4447","0.0004","17.5229","0.0004","16.5312","0.0003","90","","91.766","0.002","90","","5050.89","0.19","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52.88 H61.51 Cl0.24 F6 N4 O5.88 S2 -","- C52.878 H61.512 Cl0.244 F6 N4 O5.878 S2 -","- C211.512 H246.048 Cl0.976 F24 N16 O23.512 S8 -","4","1","","Villarón, David; Brugman, Guido E. A.; Siegler, Maxime A.; Wezenberg, Sander J.","Photoswitching of halide-binding affinity and selectivity in dithienylethene-strapped calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02264a","","","0.71073","MoKα","","0.0479","0.0381","","","0.0904","0.0965","","","","","","1.015","","","","has coordinates,has disorder","284544","2023-06-29","08:02:23",""
"7131748","22.7698","0.0005","12.6624","0.0003","18.6952","0.0005","90","","91.449","0.002","90","","5388.5","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H59 F6 N7 O4 S2 -","- C55 H59 F6 N7 O4 S2 -","- C220 H236 F24 N28 O16 S8 -","4","1","","Villarón, David; Brugman, Guido E. A.; Siegler, Maxime A.; Wezenberg, Sander J.","Photoswitching of halide-binding affinity and selectivity in dithienylethene-strapped calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02264a","","","0.71073","MoKα","","0.0626","0.0485","","","0.1246","0.135","","","","","","1.013","","","","has coordinates,has disorder","284544","2023-06-29","08:02:26",""
"7131749","10.2802","0.0004","14.3512","0.0007","17.0649","0.0007","91.974","0.004","100.406","0.003","94.069","0.004","2467.12","0.19","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H57.47 Cl0.17 F6 N4 O5.91 S2 -","- C51 H57.469 Cl0.172 F6 N4 O5.914 S2 -","- C102 H114.938 Cl0.344 F12 N8 O11.828 S4 -","2","1","","Villarón, David; Brugman, Guido E. A.; Siegler, Maxime A.; Wezenberg, Sander J.","Photoswitching of halide-binding affinity and selectivity in dithienylethene-strapped calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02264a","","","0.71073","MoKα","","0.0797","0.0532","","","0.1164","0.1306","","","","","","1.037","","","","has coordinates,has disorder","284544","2023-06-29","08:02:26",""
"7131750","10.0954","0.0016","15.084","0.002","13.5172","0.0018","90","","93.646","0.005","90","","2054.2","0.5","299","","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Gowda, Punith S.; Sharada, Duddu Savaraiah; Gedu, Satyanarayana","TBADT Photocatalyst Enabled Radical Induced Cyclization Pathway to Access Functionalized Dihydrobenzofurans","Chemical Communications","2023","","","","","10.1039/D3CC02340K","","","0.71073","MoKα","","0.1264","0.0507","","","0.1021","0.1261","","","","","","1.025","","","","has coordinates","284545","2023-06-29","08:03:33",""
"7131751","4.7593","0.0001","16.235","0.0004","16.5153","0.0004","90","","90","","90","","1276.09","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O -","- C15 H20 O -","- C60 H80 O4 -","4","1","","Sun, Yu; Li, Yuanmeng; Wang, Xiuqi; Cao, Xu; Deng, Hongping; Bu, Xiaoli; Ma, Mengtao; Xue, Fei","Preparation of new chiral diene ligands and Their Use in the Rhodium Catalyzed Asymmetric Annulation of 2-Formylarylboronic acid with Dialkylalkynes","Chemical Communications","2023","","","","","10.1039/D3CC02330C","","","1.54178","CuKα","","0.0278","0.0271","","","0.0687","0.0694","","","","","","1.038","","","","has coordinates","284546","2023-06-29","08:04:25",""
"7131752","12.9319","0.0009","8.3942","0.0007","14.1421","0.0009","90","","106.907","0.007","90","","1468.81","0.19","298","1","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Nanda, Tanmayee; Dhal, Shubham Kumar; Das Adhikari, Gopal Krushna; Prusty, Namrata; Ravikumar, Ponneri C.","Carboamination and olefination: <i>ortho</i> C-H functionalization of phenoxyacetamide.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02202a","","x-ray","0.71073","MoKα","","0.0658","0.0456","","","0.1161","0.1256","","","","","","1.035","","","","has coordinates","284547","2023-06-29","08:05:15",""
"7131753","11.1398","0.0014","7.1583","0.0009","14.2695","0.0019","90","","110.123","0.014","90","","1068.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Nanda, Tanmayee; Dhal, Shubham Kumar; Das Adhikari, Gopal Krushna; Prusty, Namrata; Ravikumar, Ponneri C.","Carboamination and olefination: <i>ortho</i> C-H functionalization of phenoxyacetamide.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02202a","","x-ray","0.71073","MoKα","","0.0857","0.0715","","","0.1655","0.1709","","","","","","1.119","","","","has coordinates","284547","2023-06-29","08:05:18",""
"7131754","14.1511","0.0006","11.6784","0.0004","14.2759","0.0006","90","","104.905","0.004","90","","2279.89","0.16","297.6","0.7","297.6","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C104 H108 N4 O24 -","4","1","","Nanda, Tanmayee; Dhal, Shubham Kumar; Das Adhikari, Gopal Krushna; Prusty, Namrata; Ravikumar, Ponneri C.","Carboamination and olefination: <i>ortho</i> C-H functionalization of phenoxyacetamide.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02202a","","x-ray","0.71073","MoKα","","0.0632","0.0415","","","0.1092","0.1194","","","","","","1.051","","","","has coordinates","284547","2023-06-29","08:05:19",""
"7131755","10.1342","0.0001","10.9767","0.0002","27.3919","0.0004","90","","90","","90","","3047.08","0.08","213","","213","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 Cl2 F N O4 -","- C31 H36 Cl2 F N O4 -","- C124 H144 Cl8 F4 N4 O16 -","4","1","","Qi, Suo-Suo; Luo, Xin; Sun, Xiao-Ping; Zhai, Jing-Jing; Chu, Ming-Ming; Chen, Jin; Wang, Yi-Feng; Xu, Dan-Qian","Metal-free and enantioselective synthesis of 1,4-benzoxazepines from <i>para</i>-quinone methide derivatives and α-bromohydroxamates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02368k","","","1.34139","GaKα","","0.091","0.0754","","","0.2166","0.2322","","","","","","1.064","","","","has coordinates","284548","2023-06-29","08:06:04",""
"7131756","10.949","0.003","11.464","0.003","12.442","0.003","90.554","0.007","99.184","0.006","97.708","0.007","1527","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cl P Sn -","- C36 H30 Cl P Sn -","- C72 H60 Cl2 P2 Sn2 -","2","1","","Liyanage, Sachin; Ovens, Jeffrey S.; Scheiner, Steve; Bryce, David L.","Tuneable Tetrel Bonds between Tin and Heavy Pnictogens","Chemical Communications","2023","","","","","10.1039/D3CC02644B","","","0.71073","MoKα","","0.1447","0.0866","","","0.1362","0.161","","","","","","1.105","","","","has coordinates","284549","2023-06-29","08:06:48",""
"7131757","18.5673","0.0006","5.8814","0.0002","15.1443","0.0006","90","","99.72","0.001","90","","1630.04","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","unknowncrystal","","","- C17 H21 N3 S -","- C17 H21 N3 S -","- C68 H84 N12 S4 -","4","1","","Hensinger, Magenta J.; Closs, Anna C.; Trapp, Oliver; Ofial, Armin R.","The effect of <i>S</i>-alkylation on organocatalytic enamine activation through imidazolidine-4-thiones.","Chemical communications (Cambridge, England)","2023","59","52","8091","8094","10.1039/d3cc01912h","","","0.71073","MoKα","","0.0419","0.0359","","","0.0892","0.0924","","","","","","1.104","","","","has coordinates","284550","2023-06-29","08:07:49",""
"7131758","7.8287","0.0006","17.6965","0.0012","11.4149","0.001","90","","103.482","0.009","90","","1537.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F N3 O8 S2 -","- C12 H8 F N3 O8 S2 -","- C48 H32 F4 N12 O32 S8 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0409","0.0368","","","0.103","0.1049","","","","","","1.06","","","","has coordinates","284551","2023-06-29","08:16:07",""
"7131759","7.6151","0.0003","12.0228","0.0004","17.3608","0.0007","90","","94.123","0.004","90","","1585.35","0.1","169.98","0.1","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F N3 O8 S2 -","- C12 H8 F N3 O8 S2 -","- C48 H32 F4 N12 O32 S8 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0352","0.0287","","","0.0729","0.0754","","","","","","1.066","","","","has coordinates","284551","2023-06-29","08:16:21",""
"7131760","7.0221","0.0003","7.3175","0.0004","13.1378","0.0007","89.555","0.004","88.085","0.004","88.797","0.004","674.53","0.06","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 F N2 O5 S -","- C13 H9 F N2 O5 S -","- C26 H18 F2 N4 O10 S2 -","2","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0518","0.0466","","","0.1244","0.1283","","","","","","1.085","","","","has coordinates","284551","2023-06-29","08:16:43",""
"7131761","8.0042","0.0007","16.3141","0.001","7.323","0.0006","90","","116.252","0.011","90","","857.62","0.14","170","0.1","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 F N2 O4 S -","- C6 H5 F N2 O4 S -","- C24 H20 F4 N8 O16 S4 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0525","0.0412","","","0.1113","0.1184","","","","","","1.049","","","","has coordinates","284551","2023-06-29","08:17:02",""
"7131762","13.5187","0.0003","19.0911","0.0005","8.8331","0.0002","90","","95.077","0.002","90","","2270.76","0.09","170.15","","170.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 F N2 O6 S2 -","- C7 H7 F N2 O6 S2 -","- C56 H56 F8 N16 O48 S16 -","8","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0398","0.0353","","","0.0961","0.0998","","","","","","1.038","","","","has coordinates","284551","2023-06-29","08:17:22",""
"7131763","11.9044","0.0005","7.9513","0.0003","15.0809","0.0005","90","","94.216","0.004","90","","1423.63","0.09","170","0.1","170.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F N2 O6 S2 -","- C12 H9 F N2 O6 S2 -","- C48 H36 F4 N8 O24 S8 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0403","0.0316","","","0.0857","0.0898","","","","","","1.035","","","","has coordinates","284551","2023-06-29","08:17:56",""
"7131764","16.0194","0.001","11.6755","0.0008","21.8846","0.0017","90","","92.959","0.007","90","","4087.7","0.5","175","7","175.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F2 N2 O6 S2 -","- C20 H16 F2 N2 O6 S2 -","- C160 H128 F16 N16 O48 S16 -","8","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0465","0.0365","","","0.0935","0.0978","","","","","","1.033","","","","has coordinates","284551","2023-06-29","08:18:13",""
"7131765","14.6054","0.0006","8.9495","0.0003","14.5067","0.0006","90","","117.306","0.005","90","","1684.89","0.14","169.99","0.1","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N2 O6 S2 -","- C15 H14 F2 N2 O6 S2 -","- C60 H56 F8 N8 O24 S8 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0336","0.0291","","","0.0765","0.0787","","","","","","1.061","","","","has coordinates","284551","2023-06-29","08:18:38",""
"7131766","16.5286","0.0005","8.3039","0.0002","16.6083","0.0005","90","","108.13","0.003","90","","2166.35","0.11","169.98","0.1","170.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F2 N3 O8 S2 -","- C20 H15 F2 N3 O8 S2 -","- C80 H60 F8 N12 O32 S8 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0554","0.0389","","","0.1016","0.1087","","","","","","1.031","","","","has coordinates","284551","2023-06-29","08:18:54",""
"7131767","10.0255","0.0003","10.169","0.0004","21.2063","0.0009","90","","91.882","0.003","90","","2160.8","0.14","169.99","0.1","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 F2 N3 O8 S2 -","- C20 H15 F2 N3 O8 S2 -","- C80 H60 F8 N12 O32 S8 -","4","1","","Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes","Chemical Communications","2023","","","","","10.1039/D3CC02292G","","","0.71073","MoKα","","0.0389","0.0338","","","0.0932","0.0965","","","","","","1.052","","","","has coordinates","284551","2023-06-29","08:19:15",""
"7131768","17.323","0.003","17.323","0.003","18.354","0.004","90","","90","","90","","5507.8","1.8","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C33 H38.5 Be2 O2.25 -","- C32 H36 Be2 O2 -","- C256 H288 Be16 O16 -","8","0.5","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","0.71073","MoKα","K-L~2,3~","0.0689","0.0484","","","0.1006","0.1092","","","","","","1.055","","","","has coordinates,has disorder","284552","2023-06-29","08:25:26",""
"7131769","9.619","0.004","22.075","0.005","13.102","0.005","90","","109.446","0.007","90","","2623.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ToTr018_ToTr","","","- C32 H39 Be N -","- C32 H39 Be N -","- C128 H156 Be4 N4 -","4","1","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","","0.71073","MoKα","","0.0599","0.0516","","","0.1165","0.1207","","","","","","1.164","","","","has coordinates,has disorder","284552","2023-06-29","08:25:30",""
"7131770","8.0692","0.0002","11.8599","0.0003","17.4163","0.0004","90","","99.3","0.001","90","","1644.83","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Be O2 -","- C20 H24 Be O2 -","- C80 H96 Be4 O8 -","4","1","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","","0.71073","MoKα","","0.0563","0.0494","","","0.1356","0.1435","","","","","","1.06","","","","has coordinates,has disorder","284552","2023-06-29","08:25:42",""
"7131771","21.498","0.006","16.76","0.004","20.238","0.004","90","","102.81","0.01","90","","7110","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ToTr014_ToTr","","","- C82 H98 Be2 N4 O -","- C82 H98 Be2 N4 O -","- C328 H392 Be8 N16 O4 -","4","1","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","","0.71073","MoKα","","0.063","0.0475","","","0.1115","0.1208","","","","","","1.059","","","","has coordinates,has disorder","284552","2023-06-29","08:25:46",""
"7131772","15.8193","0.0002","15.154","0.0002","15.8904","0.0002","90","","98.268","0.001","90","","3769.74","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 Be Li2 N O2 -","- C40 H59 Be Li2 N O2 -","- C160 H236 Be4 Li8 N4 O8 -","4","1","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0569","0.0465","","","0.1125","0.1176","","","","","","1.028","","","","has coordinates,has disorder","284552","2023-06-29","08:25:48",""
"7131773","9.5844","0.0008","10.0851","0.0007","14.3229","0.0008","82.366","0.002","76.088","0.002","86.925","0.002","1331.59","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Be P -","- C15 H17 Be P -","- C60 H68 Be4 P4 -","4","2","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","0.71073","MoKα","K-L~2,3~","0.0538","0.0466","","","0.1148","0.1203","","","","","","1.07","","","","has coordinates","284552","2023-06-29","08:25:48",""
"7131774","17.0285","0.0017","10.2006","0.0011","30.307","0.003","90","","90","","90","","5264.4","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Be N -","- C32 H39 Be N -","- C256 H312 Be8 N8 -","8","1","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","0.71073","MoKα","K-L~2,3~","0.1075","0.062","","","0.1265","0.1466","","","","","","1.066","","","","has coordinates","284552","2023-06-29","08:25:48",""
"7131775","18.4121","0.0002","16.0444","0.0002","19.7334","0.0003","90","","108.717","0.001","90","","5521.17","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.2 H34.4 Be Cl0.4 N2 -","- C33.198 H34.396 Be Cl0.396 N2 -","- C265.584 H275.168 Be8 Cl3.168 N16 -","8","2","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0531","0.0416","","","0.1057","0.1118","","","","","","1.031","","","","has coordinates,has disorder","284552","2023-06-29","08:25:48",""
"7131776","8.9044","0.0008","14.0343","0.0014","16.431","0.002","103.624","0.009","104.879","0.008","90.268","0.008","1924","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.5 H24.5 Cl Cu0.5 N O Se0.5 -","- C20.5 H24.5 Cl Cu0.5 N O Se0.5 -","- C82 H98 Cl4 Cu2 N4 O4 Se2 -","4","2","","Parsons, Leo W.; Fettinger, James C.; Berben, Louise","Group 13 ion coordination to pyridyl models NAD+ reduction potentials","Chemical Communications","2023","","","","","10.1039/D3CC02562D","","","0.71073","MoKα","","0.1038","0.0483","","","0.0768","0.0902","","","","","","0.839","","","","has coordinates","284553","2023-06-29","08:27:39",""
"7131777","10.5277","0.0003","12.258","0.0003","14.2389","0.0004","110.485","0.0008","91.5578","0.0008","104.604","0.0009","1652.15","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 F3 N5 O3 S -","- C27 H40 F3 N5 O3 S -","- C54 H80 F6 N10 O6 S2 -","2","1","","Parsons, Leo W.; Fettinger, James C.; Berben, Louise","Group 13 ion coordination to pyridyl models NAD+ reduction potentials","Chemical Communications","2023","","","","","10.1039/D3CC02562D","","","1.54178","CuKα","","0.0427","0.0421","","","0.1142","0.1146","","","","","","1.026","","","","has coordinates,has disorder","284553","2023-06-29","08:27:40",""
"7131778","12.5228","0.0017","12.4668","0.0017","39.555","0.006","90","","97.668","0.003","90","","6120.1","1.5","296","2","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H56 I8 N4 O4 Pb2 -","- C48 H56 I8 N4 O4 Pb2 -","- C192 H224 I32 N16 O16 Pb8 -","4","1","","Parsons, Leo W.; Fettinger, James C.; Berben, Louise","Group 13 ion coordination to pyridyl models NAD+ reduction potentials","Chemical Communications","2023","","","","","10.1039/D3CC02562D","","","0.71073","MoKα","","0.0414","0.0384","","","0.0891","0.0902","","","","","","1.044","","","","has coordinates","284553","2023-06-29","08:27:40",""
"7131779","6.0599","0.0008","13.909","0.002","17.1498","0.0018","90","","90","","90","","1445.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Ming, Yong-Chao; Lv, Xue-Jiao; Chen, Ying-Han; Liu, Yan-Kai","Asymmetric iminium ion-catalyzed conjugate addition of 2-hydroxycinnamaldehydes and 2-oxocarboxylic esters: synthesis of chiral polysubstituted bridged bicyclic ketals.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02739b","","x-ray","1.54184","CuKα","","0.1241","0.0656","","","0.1605","0.2282","","","","","","1.137","","","","has coordinates","284554","2023-06-29","08:28:25",""
"7131780","17.755","0.007","5.479","0.002","6.556","0.003","90","","103.98","0.02","90","","618.9","0.4","287","2","287","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C34 H24 O4 -","2","0.5","","Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo","Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01748f","","","1.54178","CuKα","","0.0389","0.0378","","","0.0943","0.0951","","","","","","1.123","","","","has coordinates","284555","2023-06-29","08:28:53",""
"7131781","17.6508","0.0008","5.4506","0.0002","6.5314","0.0003","90","","103.95","0.001","90","","609.84","0.05","150","2","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C34 H24 O4 -","2","0.5","","Du, Jiping; Li, Hui; Wu, Tanping; Wang, Menglei; Cheng, Rui; Wu, Di; Yang, Yudong; Lan, Jingbo","Chemical resolution of spiroindanones and synthesis of chiroptical polymers with circularly polarized luminescence.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01748f","","","1.54178","CuKα","","0.0257","0.0257","","","0.0657","0.0658","","","","","","1.106","","","","has coordinates","284555","2023-06-29","08:28:56",""
"7131782","7.824","0.002","10.972","0.003","14.212","0.004","95.459","0.005","94.385","0.005","98.09","0.005","1197.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 F3 Ir N3 O5 S -","- C21 H21 F3 Ir N3 O5 S -","- C42 H42 F6 Ir2 N6 O10 S2 -","2","1","","Zhang, Long; Lu, Zhiyao; Rander, Andrew R.; Williams, Travis J.","An ambient pressure, direct hydrogenation of ketones.","Chemical communications (Cambridge, England)","2023","59","52","8107","8110","10.1039/d3cc01014g","","","0.71073","MoKα","","0.0417","0.0349","","","0.0648","0.0669","","","","","","1.036","","","","has coordinates","284556","2023-06-29","08:29:44",""
"7131783","8.718","0.0002","15.1641","0.0003","14.4976","0.0003","90","","106.108","0.002","90","","1841.35","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[ 2-((3-mesityl-2H-1l4,3l4-imidazol-1-yl)methyl)pyridine-kappa2 N1 C2)=eta 3 p-cymene] Iridium (I) carbonyl chloride","","- C19 H19 Cl Ir N3 O -","- C19 H19 Cl Ir N3 O -","- C76 H76 Cl4 Ir4 N12 O4 -","4","1","","Zhang, Long; Lu, Zhiyao; Rander, Andrew R.; Williams, Travis J.","An ambient pressure, direct hydrogenation of ketones.","Chemical communications (Cambridge, England)","2023","59","52","8107","8110","10.1039/d3cc01014g","","x-ray","0.71073","MoKα","","0.0377","0.0251","","","0.0457","0.0501","","","","","","1.041","","","","has coordinates","284556","2023-06-29","08:29:44",""
"7131784","12.1165","0.0005","13.9157","0.0008","13.0991","0.0008","90","","94.688","0.005","90","","2201.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H58 Cs N4 P -","- C45 H58 Cs N4 P -","- C90 H116 Cs2 N8 P2 -","2","1","","Sagar, Shweta; Karmakar, Himadri; Nath, Priyanku; Sarkar, Alok; Chandrasekhar, Vadapalli; Panda, Tarun K.","Highly efficient and well-controlled ROP and copolymerization of cyclic esters using a cesium complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01343j","","","0.71073","MoKα","","0.0457","0.0342","","","0.0658","0.0695","","","","","","0.975","","","","has coordinates","284557","2023-06-29","08:30:29",""
"7131785","14.4622","0.0013","7.9861","0.0009","27.635","0.002","90","","90","","90","","3191.7","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C136 H152 N8 O16 S8 -","8","1","","Zhang, Qiang; Zhou, Pengfei; Zhao, Yaokun; Liu, Yeran; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan","Catalyst-controlled regiodivergent C-H bond alkenylation of 2-pyridylthiophenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02411c","","","0.71073","MoKα","","0.1215","0.073","","","0.1413","0.1606","","","","","","1.087","","","","has coordinates,has disorder","284558","2023-06-29","08:43:33",""
"7131786","13.3461","0.0006","14.9886","0.0007","16.441","0.0007","87.795","0.002","82.652","0.002","87.704","0.002","3257.4","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C61 H64 B F24 Ge Ir N2 O P2 -","- C61 H64 B F24 Ge Ir N2 O P2 -","- C122 H128 B2 F48 Ge2 Ir2 N4 O2 P4 -","2","1","","Fernández-Buenestado, Marta; Somerville, Rosie J.; López-Serrano, Joaquín; Campos, Jesús","A genuine germylene PGeP pincer ligand for formic acid dehydrogenation with iridium.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02447d","","","0.71073","MoKα","","0.0846","0.0533","","","0.1223","0.1452","","","","","","1.063","","","","has coordinates,has disorder","284559","2023-06-29","08:44:37",""
"7131787","9.6734","0.0005","38.7728","0.0017","17.8177","0.0008","90","","91.653","0.002","90","","6680","0.5","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H64 B F24 Ge Ir N2 O P2 -","- C61 H64 B F24 Ge Ir N2 O P2 -","- C244 H256 B4 F96 Ge4 Ir4 N8 O4 P8 -","4","1","","Fernández-Buenestado, Marta; Somerville, Rosie J.; López-Serrano, Joaquín; Campos, Jesús","A genuine germylene PGeP pincer ligand for formic acid dehydrogenation with iridium.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02447d","","","0.71073","MoKα","","0.0831","0.0541","","","0.1172","0.1325","","","","","","1.077","","","","has coordinates","284559","2023-06-29","08:44:37",""
"7131788","17.8449","0.0014","16.1593","0.0014","23.0027","0.0018","90","","103.083","0.005","90","","6460.9","0.9","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H52 Cl Ge Ir N2 O P2 -","- C29 H52 Cl Ge Ir N2 O P2 -","- C232 H416 Cl8 Ge8 Ir8 N16 O8 P16 -","8","1","","Fernández-Buenestado, Marta; Somerville, Rosie J.; López-Serrano, Joaquín; Campos, Jesús","A genuine germylene PGeP pincer ligand for formic acid dehydrogenation with iridium.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02447d","","","0.71073","MoKα","","0.0596","0.0424","","","0.0873","0.0946","","","","","","1.006","","","","has coordinates","284559","2023-06-29","08:44:38",""
"7131789","17.7093","0.0005","16.7013","0.0006","23.8942","0.0006","90","","91.581","0.002","90","","7064.5","0.4","93","","93","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C132 H140 F12 N4 O16 P4 Pt2 S4 -","- C132 H140 F12 N4 O16 P4 Pt2 S4 -","- C264 H280 F24 N8 O32 P8 Pt4 S8 -","2","0.5","","Oki, Kosuke; Zheng, Wei; Yashima, Eiji; Ikai, Tomoyuki","Optically-pure triptycene-based metallomacrocycles and homochiral self-sorting assisted by ladder formation","Chemical Communications","2023","","","","","10.1039/D3CC02259E","","x-ray","0.71073","MoKα","","0.152","0.0891","","","0.2502","0.2807","","","","","","1.043","","","","has coordinates,has disorder","284560","2023-06-29","08:45:21",""
"7131790","7.7087","0.0002","11.2855","0.0002","12.0893","0.0002","90","","102.969","0.0006","90","","1024.9","0.04","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-(p-tolyl)-2H-1,2,3-triazol-2-yl)ethan-1-one","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Motornov, Vladimir; Pohl, Radek; Klepetarova, Blanka; Beier, Petr","N-Acyl-1,2,3-triazoles – key intermediates in denitrogenative transformations","Chemical Communications","2023","","","","","10.1039/D3CC00987D","","x-ray","1.54178","CuKα","","0.0396","0.0379","","0.0429","0.0404","0.0404","","","","","","1.0701","","","","has coordinates","284709","2023-06-29","21:53:49",""
"7131791","8.1806","0.0006","9.0341","0.0006","11.2117","0.0008","93.215","0.002","106.075","0.002","113.593","0.0019","716.41","0.09","180","","180","","","","","","","","","4","P -1","-P 1","2","","(4-methoxyphenyl)(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)methanone","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C34 H30 N6 O4 -","2","1","","Motornov, Vladimir; Pohl, Radek; Klepetarova, Blanka; Beier, Petr","N-Acyl-1,2,3-triazoles – key intermediates in denitrogenative transformations","Chemical Communications","2023","","","","","10.1039/D3CC00987D","","x-ray","1.54178","CuKα","","0.0445","0.0436","","0.0478","0.0471","0.0471","","","","","","1.0128","","","","has coordinates","284709","2023-06-29","21:53:49",""
"7131792","20.765","0.005","14.171","0.003","15.154","0.004","90","","109.346","0.008","90","","4207.4","1.8","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 O Se -","- C24 H17 Cl N2 O Se -","- C192 H136 Cl8 N16 O8 Se8 -","8","2","","Zhou, Yunhao; Zheng, Tao; Xu, Yue; Li, Bo; Wang, Yuchi; Mei, Ruhuai; Gu, Linghui; Ma, Wenbo","Palladium-catalyzed distal selective C-H chalcogenation of biphenyl amines.","Chemical communications (Cambridge, England)","2023","59","53","8262","8265","10.1039/d3cc02209a","","","0.71073","MoKα","","0.0588","0.0334","","","0.0683","0.0766","","","","","","1.021","","","","has coordinates","284710","2023-06-29","21:54:43",""
"7131793","15.2884","0.001","12.8941","0.0009","21.3671","0.0016","90","","106.412","0.003","90","","4040.5","0.5","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O Se -","- C24 H18 N2 O Se -","- C192 H144 N16 O8 Se8 -","8","2","","Zhou, Yunhao; Zheng, Tao; Xu, Yue; Li, Bo; Wang, Yuchi; Mei, Ruhuai; Gu, Linghui; Ma, Wenbo","Palladium-catalyzed distal selective C-H chalcogenation of biphenyl amines.","Chemical communications (Cambridge, England)","2023","59","53","8262","8265","10.1039/d3cc02209a","","","0.71073","MoKα","","0.109","0.0433","","","0.0777","0.0954","","","","","","0.996","","","","has coordinates","284710","2023-06-29","21:54:44",""
"7131794","8.3047","0.0002","18.4642","0.0006","21.707","0.0007","90","","90","","90","","3328.54","0.17","281","2","281","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N Se -","- C22 H15 N Se -","- C176 H120 N8 Se8 -","8","1","","Zhou, Yunhao; Zheng, Tao; Xu, Yue; Li, Bo; Wang, Yuchi; Mei, Ruhuai; Gu, Linghui; Ma, Wenbo","Palladium-catalyzed distal selective C-H chalcogenation of biphenyl amines.","Chemical communications (Cambridge, England)","2023","59","53","8262","8265","10.1039/d3cc02209a","","","0.71073","MoKα","","0.0525","0.0313","","","0.0706","0.0794","","","","","","1.026","","","","has coordinates","284710","2023-06-29","21:54:44",""
"7131795","16.8943","0.0006","9.1586","0.0003","13.1298","0.0004","90","","90","","90","","2031.55","0.12","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Br N3 O2 -","- C21 H24 Br N3 O2 -","- C84 H96 Br4 N12 O8 -","4","1","","Karjee, Pallab; Mandal, Santu; Debnath, Bijoy; Namdev, Nirali; Punniyamurthy, Tharmalingam","Expedient (3+3)-annulation of <i>in situ</i> generated azaoxyallyl cations with diaziridines.","Chemical communications (Cambridge, England)","2023","59","53","8270","8273","10.1039/d3cc02136j","","","0.71073","MoKα","","0.0536","0.0347","","","0.0983","0.1321","","","","","","0.921","","","","has coordinates","284711","2023-06-29","21:55:18",""
"7131796","11.3754","0.0003","21.9762","0.0006","11.2116","0.0003","90","","90","","90","","2802.77","0.13","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H31 N3 O5 -","- C30 H31 N3 O5 -","- C120 H124 N12 O20 -","4","1","","Ruan, Peiran; Zhang, Cefei; Wu, Jin; Xiao, Fengnan; Zhang, Yongyan; Tan, Qingfa; Su, Zhishan; Feng, Xiaoming; Liu, Xiaohua","Asymmetric [3+2]-cyclization of α-imino amide surrogates to construct 3,4-diaminopyrrolidine-2,5-diones.","Chemical communications (Cambridge, England)","2023","59","53","8250","8253","10.1039/d3cc01203d","","","1.54178","CuKα","","0.0428","0.0413","","","0.0966","0.0979","","","","","","1.07","","","","has coordinates","284712","2023-06-29","21:55:42",""
"7131797","30.9679","0.0006","30.9679","0.0006","34.1539","0.0005","90","","90","","120","","28365.8","0.9","140","0.1","140","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C210 H155 La N12 O11 Pd2 -","- C210 H155 La N12 O11 Pd2 -","- C1260 H930 La6 N72 O66 Pd12 -","6","1","","Sudan, Sylvain; Fadaei-Tirani, Farzaneh; Severin, Kay","A five-stranded heterometallic helicate.","Chemical communications (Cambridge, England)","2023","59","53","8258","8261","10.1039/d3cc02045b","","x-ray","1.54184","CuKα","","0.1872","0.0949","","","0.2537","0.3158","","","","","","0.982","","","","has coordinates,has disorder","284713","2023-06-29","21:56:21",""
"7131798","9.2171","0.0004","8.5923","0.0004","34.046","0.0018","90","","90","","90","","2696.3","0.2","299.97","0.1","299.97","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[bis(heptan-2-ammonium) bis(mu-iodo)-diiodo-tin]","","- C14 H36 I4 N2 Sn -","- C14 H36 I4 N2 Sn -","- C56 H144 I16 N8 Sn4 -","4","0.5","","Singh, Akash; Crace, Ethan; Xie, Yi; Mitzi, David B.","A two-dimensional lead-free hybrid perovskite semiconductor with reduced melting temperature.","Chemical communications (Cambridge, England)","2023","59","53","8302","8305","10.1039/d3cc01788e","","x-ray","0.71073","MoKα","","0.109","0.0843","","","0.1523","0.1583","","","","","","1.357","","","","has coordinates","284714","2023-06-29","21:56:51",""
"7131799","9.04641","0.00016","8.47695","0.00015","34.0759","0.0007","90","","90","","90","","2613.14","0.08","80","0.8","80","0.8","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[bis(heptan-2-ammonium) bis(mu-iodo)-diiodo-tin]","","- C14 H36 I4 N2 Sn -","- C14 H36 I4 N2 Sn -","- C56 H144 I16 N8 Sn4 -","4","0.5","","Singh, Akash; Crace, Ethan; Xie, Yi; Mitzi, David B.","A two-dimensional lead-free hybrid perovskite semiconductor with reduced melting temperature.","Chemical communications (Cambridge, England)","2023","59","53","8302","8305","10.1039/d3cc01788e","","x-ray","0.71073","MoKα","","0.0534","0.047","","","0.0929","0.0944","","","","","","1.478","","","","has coordinates","284714","2023-06-29","21:56:52",""
"7131800","15.1494","0.0016","15.0265","0.0016","7.6701","0.0008","90","","101.096","0.007","90","","1713.4","0.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(1-naphthoyl)oxy]-N-ethynyl-N-p-toluenesulfonamide","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Kagami, Kentaro; Liang, Xueying; Ishibashi, Nanako; Ohrui, Sayaka; Tayu, Masanori; Saito, Nozomi","Synthesis of <i>N</i>-(acyloxy)-<i>N</i>-alkynylamides <i>via</i> generation of ""C<sub>2</sub>"" from hypervalent alkynyliodane and a weak base.","Chemical communications (Cambridge, England)","2023","59","53","8274","8277","10.1039/d3cc01403g","","","1.54187","CuKα","","0.102","0.0773","","","0.2045","0.2292","","","","","","1.088","","","","has coordinates","284716","2023-06-29","21:57:16",""
"7131801","7.7447","0.0003","14.0532","0.0006","11.9858","0.0005","90","","105.685","0.0012","90","","1255.93","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Wang, Xinzhe; Wu, Zhipeng; Tu, Guogang; Zhao, Yuanyue; Xiong, Xiaodong","An efficient Selectfluor-mediated condensation of indoles and anthranilates for synthesis of indoloquinazolinones","Chemical Communications","2023","","","","","10.1039/D3CC02673F","","","0.71073","MoKα","","0.049","0.0396","","","0.1104","0.1194","","","","","","1.079","","","","has coordinates","284727","2023-06-30","21:52:16",""
"7131802","18.8834","0.0016","10.079","0.0006","15.7187","0.0014","90","","111.762","0.01","90","","2778.5","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 N O2 S Si -","- C30 H39 N O2 S Si -","- C120 H156 N4 O8 S4 Si4 -","4","1","","Hamada, Naoya; Hayashi, Daigo; Shintani, Ryo","Palladium-catalyzed synthesis of benzosilacyclobutenes via position-selective C(sp3)–H arylation","Chemical Communications","2023","","","","","10.1039/D3CC00442B","","x-ray","0.71073","MoKα","","0.0899","0.059","","","0.1497","0.1651","","","","","","1.03","","","","has coordinates,has disorder","284728","2023-06-30","21:53:20",""
"7131803","9.9322","0.0013","10.0147","0.001","13.5979","0.0014","72.762","0.007","87.903","0.008","82.672","0.007","1281.2","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 O Si -","- C30 H42 O Si -","- C60 H84 O2 Si2 -","2","1","","Hamada, Naoya; Hayashi, Daigo; Shintani, Ryo","Palladium-catalyzed synthesis of benzosilacyclobutenes via position-selective C(sp3)–H arylation","Chemical Communications","2023","","","","","10.1039/D3CC00442B","","","0.71075","MoKα","","0.0463","0.0362","","","0.1174","0.126","","","","","","1.016","","","","has coordinates","284728","2023-06-30","21:53:21",""
"7131804","10.3545","0.0002","12.0752","0.0002","12.5616","0.0003","68.423","0.002","70.324","0.002","89.984","0.001","1361.51","0.06","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 O Si -","- C33 H42 O Si -","- C66 H84 O2 Si2 -","2","1","","Hamada, Naoya; Hayashi, Daigo; Shintani, Ryo","Palladium-catalyzed synthesis of benzosilacyclobutenes via position-selective C(sp3)–H arylation","Chemical Communications","2023","","","","","10.1039/D3CC00442B","","x-ray","0.71073","MoKα","","0.0686","0.0497","","","0.1231","0.1258","","","","","","1.01","","","","has coordinates,has disorder","284728","2023-06-30","21:53:21",""
"7131805","22.9951","0.0008","8.0662","0.0003","35.0695","0.0012","90","","106.116","0.004","90","","6249.2","0.4","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 N Si -","- C38 H43 N Si -","- C304 H344 N8 Si8 -","8","2","","Hamada, Naoya; Hayashi, Daigo; Shintani, Ryo","Palladium-catalyzed synthesis of benzosilacyclobutenes via position-selective C(sp3)–H arylation","Chemical Communications","2023","","","","","10.1039/D3CC00442B","","x-ray","0.71073","MoKα","","0.1274","0.0779","","","0.1526","0.1699","","","","","","1.108","","","","has coordinates,has disorder","284728","2023-06-30","21:53:21",""
"7131806","10.2159","0.0005","13.4631","0.0007","22.6351","0.001","82.798","0.002","83.73","0.002","85.69","0.002","3064.2","0.3","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C86 H62 N2 -","- C86 H62 N2 -","- C172 H124 N4 -","2","1","","Liu, Yang; Xu, Yulin; Peng, Hao; Miao, Jingsheng; Liu, He; Yang, Chuluo","Multi-spiro Junctions Enables Efficient Thermally Activated Delayed Fluorescent Emitter","Chemical Communications","2023","","","","","10.1039/D3CC02347H","","","0.71073","MoKα","","0.1039","0.0574","","","0.1243","0.1492","","","","","","1.018","","","","has coordinates","284746","2023-07-01","21:52:46",""
"7131807","10.0982","0.0019","11.617","0.003","13.448","0.003","86.075","0.006","79.905","0.004","71.038","0.004","1468.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H62 O13 -","- C75 H62 O13 -","- C75 H62 O13 -","1","0.5","","Naveen Kumar, Muniganti; Suresh, Vavilapalli; Nagi Reddy, Attunuri; Nanubolu, Jagadesh Babu; Maddi, Sridhar Reddy","Pd-Catalyzed Regioselective Rollover Dual C-H Annulation Cascade: Facile Approach to phenanthrene derivatives","Chemical Communications","2023","","","","","10.1039/D3CC02523C","","","0.71073","MoKα","","0.0694","0.0525","","","0.1296","0.1447","","","","","","1.03","","","","has coordinates,has disorder","284747","2023-07-01","21:53:15",""
"7131808","9.6943","0.0004","14.0544","0.0006","10.9983","0.0005","90","","116.296","0.0018","90","","1343.43","0.1","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Naveen Kumar, Muniganti; Suresh, Vavilapalli; Nagi Reddy, Attunuri; Nanubolu, Jagadesh Babu; Maddi, Sridhar Reddy","Pd-Catalyzed Regioselective Rollover Dual C-H Annulation Cascade: Facile Approach to phenanthrene derivatives","Chemical Communications","2023","","","","","10.1039/D3CC02523C","","","0.71073","MoKα","","0.0586","0.0463","","","0.1193","0.129","","","","","","1.054","","","","has coordinates","284747","2023-07-01","21:53:16",""
"7131809","12.8035","0.0003","7.4389","0.0002","33.9834","0.0007","90","","90","","90","","3236.71","0.13","193","","193","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","1","","Pu, Jun; Chen, Lei; Wu, Rui-Rui; Ye, Peng; Li, Huan-Le; Wang, Shuang; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Non-directed Pd-catalysed C–H Arylation of [2.2]Paracyclophane","Chemical Communications","2023","","","","","10.1039/D3CC02546B","","x-ray","1.34139","GaKα","","0.0606","0.0445","","","0.1209","0.1326","","","","","","1.028","","","","has coordinates","284757","2023-07-03","21:53:03",""
"7131810","8.5433","0.0008","9.0498","0.0008","10.3568","0.001","69.658","0.003","71.553","0.003","84.163","0.003","712.19","0.12","301","2","301","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F2 N O3 -","- C15 H15 F2 N O3 -","- C30 H30 F4 N2 O6 -","2","1","","Sharma, Ruchi; Jain, Swati; Sihag, Naveen; Yadav, M. Ramu","Ligand-free Pd-catalyzed double Heck reaction of <i>N</i>-(<i>o</i>-bromoaryl)acrylamides with α-F/CF<sub>3</sub>-acrylates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01740k","","","0.71073","MoKα","","0.0888","0.0798","","","0.2622","0.2684","","","","","","1.0464","","","","has coordinates","284758","2023-07-03","21:54:28",""
"7131811","8.6797","0.001","9.5445","0.0013","12.4267","0.0016","72.122","0.004","71.882","0.004","89.575","0.004","926.8","0.2","299","2","299","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N O5 -","- C18 H18 F3 N O5 -","- C36 H36 F6 N2 O10 -","2","1","","Sharma, Ruchi; Jain, Swati; Sihag, Naveen; Yadav, M. Ramu","Ligand-free Pd-catalyzed double Heck reaction of <i>N</i>-(<i>o</i>-bromoaryl)acrylamides with α-F/CF<sub>3</sub>-acrylates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01740k","","","0.71073","MoKα","","0.1212","0.1037","","","0.2923","0.3057","","","","","","1.0453","","","","has coordinates","284758","2023-07-03","21:54:46",""
"7131812","5.657","0.0004","6.5148","0.0004","6.5836","0.0005","102.961","0.002","109.449","0.002","96.622","0.002","218.14","0.03","301","2","301","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 F2 O4 -","- C8 H8 F2 O4 -","- C8 H8 F2 O4 -","1","0.5","","Sharma, Ruchi; Jain, Swati; Sihag, Naveen; Yadav, M. Ramu","Ligand-free Pd-catalyzed double Heck reaction of <i>N</i>-(<i>o</i>-bromoaryl)acrylamides with α-F/CF<sub>3</sub>-acrylates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01740k","","","0.71073","MoKα","","0.0349","0.0324","","","0.0868","0.0897","","","","","","1.1251","","","","has coordinates","284758","2023-07-03","21:54:46",""
"7131813","16.012","0.005","11.607","0.004","8.318","0.002","90","","93.053","0.01","90","","1543.7","0.8","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br F N O3 -","- C15 H15 Br F N O3 -","- C60 H60 Br4 F4 N4 O12 -","4","1","","Sharma, Ruchi; Jain, Swati; Sihag, Naveen; Yadav, M. Ramu","Ligand-free Pd-catalyzed double Heck reaction of <i>N</i>-(<i>o</i>-bromoaryl)acrylamides with α-F/CF<sub>3</sub>-acrylates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01740k","","","0.71073","MoKα","","0.0489","0.0369","","","0.0953","0.1056","","","","","","1.066","","","","has coordinates","284758","2023-07-03","21:54:46",""
"7131814","27.5361","0.0013","15.2489","0.0007","21.8879","0.0011","90","","126.335","0.001","90","","7403.7","0.6","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C62 H86 Cl4 F6 Ga2 N4 O6 S2 Sb2 -","- C62 H86 Cl4 F6 Ga2 N4 O6 S2 Sb2 -","- C248 H344 Cl16 F24 Ga8 N16 O24 S8 Sb8 -","4","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","1.54178","CuKα","","0.0523","0.0523","","","0.1362","0.1362","","","","","","1.064","","","","has coordinates,has disorder","284768","2023-07-04","01:12:30",""
"7131815","13.6688","0.0015","18.938","0.002","26.072","0.003","90","","91.6077","0.0017","90","","6746.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H118 B2 F48 Ga2 N4 Sb2 -","- C134 H118 B2 F48 Ga2 N4 Sb2 -","- C268 H236 B4 F96 Ga4 N8 Sb4 -","2","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0771","0.0515","","","0.1183","0.1347","","","","","","1.128","","","","has coordinates,has disorder","284768","2023-07-04","01:12:31",""
"7131816","12.803","0.0014","27.401","0.003","26.932","0.003","90","","97.813","0.003","90","","9360.4","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H102 Bi F3 Ga2 N8 O3 S -","- C73 H102 Bi F3 Ga2 N8 O3 S -","- C292 H408 Bi4 F12 Ga8 N32 O12 S4 -","4","1","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0704","0.0402","","","0.0809","0.0913","","","","","","1.019","","","","has coordinates,has disorder","284768","2023-07-04","01:12:31",""
"7131817","8.9025","0.0004","19.9339","0.0009","9.8991","0.0005","90","","116.469","0.0011","90","","1572.56","0.13","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C30 H42 F3 Ga N2 O3 S -","- C30 H42 F3 Ga N2 O3 S -","- C60 H84 F6 Ga2 N4 O6 S2 -","2","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0332","0.0305","","","0.084","0.0858","","","","","","1.074","","","","has coordinates,has disorder","284768","2023-07-04","01:12:32",""
"7131818","12.454","0.002","13.829","0.003","14.985","0.003","103.273","0.007","93.858","0.007","110.942","0.007","2314.1","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H110 Cl8 F6 Ga2 N8 O6 S2 Sb2 -","- C78 H110 Cl8 F6 Ga2 N8 O6 S2 Sb2 -","- C78 H110 Cl8 F6 Ga2 N8 O6 S2 Sb2 -","1","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.043","0.03","","","0.0723","0.0777","","","","","","1.036","","","","has coordinates,has disorder","284768","2023-07-04","01:12:32",""
"7131819","21.384","0.004","12.297","0.002","25.544","0.005","90","","102.543","0.004","90","","6557","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Bi F6 Ga2 N4 O6 S2 -","- C60 H82 Bi F6 Ga2 N4 O6 S2 -","- C240 H328 Bi4 F24 Ga8 N16 O24 S8 -","4","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0544","0.0396","","","0.0913","0.0962","","","","","","1.107","","","","has coordinates","284768","2023-07-04","01:12:32",""
"7131820","12.4333","0.0011","13.8507","0.0012","14.937","0.0013","102.794","0.004","93.662","0.004","110.684","0.004","2318.1","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H110 Bi2 Cl8 F6 Ga2 N8 O6 S2 -","- C78 H110 Bi2 Cl8 F6 Ga2 N8 O6 S2 -","- C78 H110 Bi2 Cl8 F6 Ga2 N8 O6 S2 -","1","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0406","0.0291","","","0.0603","0.0632","","","","","","1.088","","","","has coordinates,has disorder","284768","2023-07-04","01:12:32",""
"7131821","14.5284","0.0017","14.8141","0.0016","15.7805","0.0018","66.932","0.005","67.28","0.005","74.7","0.005","2856.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H90 B2 F44 Ga2 N4 Sb2 -","- C118 H90 B2 F44 Ga2 N4 Sb2 -","- C118 H90 B2 F44 Ga2 N4 Sb2 -","1","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0534","0.0354","","","0.0807","0.0967","","","","","","1.102","","","","has coordinates,has disorder","284768","2023-07-04","01:12:32",""
"7131822","13.615","0.002","19.075","0.003","26.067","0.004","90","","91.714","0.003","90","","6766.7","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H118 B2 Bi2 F48 Ga2 N4 -","- C134 H118 B2 Bi2 F48 Ga2 N4 -","- C268 H236 B4 Bi4 F96 Ga4 N8 -","2","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.1174","0.0527","","","0.0864","0.1017","","","","","","1.01","","","","has coordinates,has disorder","284768","2023-07-04","01:12:33",""
"7131823","14.5343","0.0006","14.8399","0.0005","15.7735","0.0006","67.1304","0.0016","67.4082","0.0017","75.032","0.0016","2870.32","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H90 B2 Bi2 F44 Ga2 N4 -","- C118 H90 B2 Bi2 F44 Ga2 N4 -","- C118 H90 B2 Bi2 F44 Ga2 N4 -","1","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.039","0.0288","","","0.0654","0.0688","","","","","","1.037","","","","has coordinates,has disorder","284768","2023-07-04","01:12:33",""
"7131824","27.988","0.002","15.4048","0.0011","22.156","0.003","90","","127.475","0.0011","90","","7581.1","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Bi2 F8 Ga2 N4 O6 S2 -","- C72 H92 Bi2 F8 Ga2 N4 O6 S2 -","- C288 H368 Bi8 F32 Ga8 N16 O24 S8 -","4","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.046","0.0334","","","0.0825","0.0909","","","","","","1.072","","","","has coordinates,has disorder","284768","2023-07-04","01:12:33",""
"7131825","13.5084","0.0003","8.3024","0.0001","26.1715","0.0005","90","","102.594","0.007","90","","2864.57","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H31 Br O3 Si -","- C15 H31 Br O3 Si -","- C90 H186 Br6 O18 Si6 -","6","3","","Hikawa, Ryoga; Shimogaki, Mio; Kano, Taichi","Construction of three contiguous stereocenters through amine-catalyzed asymmetric aldol reactions.","Chemical communications (Cambridge, England)","2023","59","54","8424","8427","10.1039/d3cc01606d","","","1.54187","CuKα","","0.0384","0.038","","","0.0891","0.0895","","","","","","1.182","","","","has coordinates,has disorder","284774","2023-07-04","21:53:02",""
"7131826","11.3947","0.0002","8.8485","0.0002","12.0913","0.0002","90","","107.819","0.0007","90","","1160.63","0.04","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O3 -","- C11 H19 N O3 -","- C44 H76 N4 O12 -","4","1","","Mazloomi, Zahra; Kallmeier, Fabian; Kirchhecker, Sarah; Stadler, Bernhard M.; Pandey, Swechchha; Schünemann, Claas; Spannenberg, Anke; Hering-Junghans, Christian; Tin, Sergey; de Vries, Johannes G.; Baráth, Eszter","Unusual selectivity in the ring-opening of γ-valerolactone oxide by amines.","Chemical communications (Cambridge, England)","2023","59","54","8444","8447","10.1039/d3cc01957h","","","1.54178","CuKα","","0.0398","0.0389","","","0.102","0.1032","","","","","","1.059","","","","has coordinates","284775","2023-07-04","21:53:25",""
"7131827","9.811","0.003","21.127","0.006","9.099","0.003","90","","116.689","0.008","90","","1685.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Garg, Parul; Singh, Tavinder; Singh, Anand","Visible Light–Mediated Ring–Ablative Functionalization of Oxazoles: Oxidative Azidation and Demethylative Amination","Chemical Communications","2023","","","","","10.1039/D3CC01871G","","","0.71073","MoKα","","0.1246","0.0782","","","0.2036","0.2393","","","","","","1.099","","","","has coordinates","284776","2023-07-04","21:53:49",""
"7131828","7.5144","0.0001","8.8611","0.0002","17.9123","0.0003","90","","101.248","0.001","90","","1169.8","0.04","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 S -","- C14 H9 N3 S -","- C56 H36 N12 S4 -","4","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","1.54178","CuKα","","0.0486","0.0405","","","0.1078","0.1186","","","","","","1.029","","","","has coordinates","284777","2023-07-04","21:55:12",""
"7131829","12.0962","0.0012","9.1516","0.0009","11.7094","0.001","90","","97.352","0.005","90","","1285.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 S -","- C14 H9 F3 N2 S -","- C56 H36 F12 N8 S4 -","4","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","0.71073","MoKα","","0.1973","0.0825","","","0.1523","0.211","","","","","","1.194","","","","has coordinates,has disorder","284777","2023-07-04","21:55:12",""
"7131830","8.5804","0.0003","9.4893","0.0004","10.4129","0.0004","102.43","0.001","109.29","0.002","107.08","0.002","717.67","0.05","302","2","302","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F6 N2 S -","- C15 H8 F6 N2 S -","- C30 H16 F12 N4 S2 -","2","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","1.54178","CuKα","","0.0882","0.0806","","","0.2296","0.2403","","","","","","1.095","","","","has coordinates","284777","2023-07-04","21:55:13",""
"7131831","17.2218","0.0007","4.0384","0.0002","22.4366","0.001","90","","90","","90","","1560.43","0.12","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 Br2 N4 S2 -","- C14 H10 Br2 N4 S2 -","- C56 H40 Br8 N16 S8 -","4","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","0.71073","MoKα","","0.0661","0.0548","","","0.1542","0.1608","","","","","","1.133","","","","has coordinates","284777","2023-07-04","21:55:13",""
"7131832","10.7111","0.0003","8.8354","0.0003","21.003","0.0007","90","","101.75","0.001","90","","1946.01","0.11","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 S -","- C25 H17 N3 S -","- C100 H68 N12 S4 -","4","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","0.71073","MoKα","","0.0686","0.0465","","","0.1147","0.132","","","","","","1.035","","","","has coordinates","284777","2023-07-04","21:55:13",""
"7131833","17.3606","0.0013","10.3859","0.0007","11.4467","0.0007","90","","97.743","0.003","90","","2045.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 S -","- C25 H19 N3 S -","- C100 H76 N12 S4 -","4","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","0.71073","MoKα","","0.1601","0.1001","","","0.1525","0.1824","","","","","","1.178","","","","has coordinates","284777","2023-07-04","21:55:13",""
"7131834","13.616","0.003","11.0195","0.0013","11.277","0.002","90","","91.301","0.012","90","","1691.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B Fe N -","- C22 H20 B Fe N -","- C88 H80 B4 Fe4 N4 -","4","1","","Schneider, Johannes S.; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Linear and macrocyclic oligo(<i>p</i>-phenylene iminoboranes) with ferrocenyl side groups - observation of selective, non-templated macrocyclization.","Chemical communications (Cambridge, England)","2023","59","54","8408","8411","10.1039/d3cc01825c","","","0.71073","MoKα","","0.0454","0.0437","","","0.1202","0.1217","","","","","","1.11","","","","has coordinates","284778","2023-07-04","21:56:40",""
"7131835","10.3432","0.0019","12.985","0.006","13.579","0.003","102.62","0.02","111.269","0.01","107.505","0.008","1506.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 B2 Fe2 N2 -","- C38 H34 B2 Fe2 N2 -","- C76 H68 B4 Fe4 N4 -","2","1","","Schneider, Johannes S.; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Linear and macrocyclic oligo(<i>p</i>-phenylene iminoboranes) with ferrocenyl side groups - observation of selective, non-templated macrocyclization.","Chemical communications (Cambridge, England)","2023","59","54","8408","8411","10.1039/d3cc01825c","","","0.71073","MoKα","","0.0585","0.0462","","","0.1169","0.1242","","","","","","1.061","","","","has coordinates","284778","2023-07-04","21:56:40",""
"7131836","22.807","0.005","20.081","0.006","15.326","0.004","90","","114.023","0.01","90","","6411","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 B4 Cl8 Fe4 N4 -","- C68 H64 B4 Cl8 Fe4 N4 -","- C272 H256 B16 Cl32 Fe16 N16 -","4","0.5","","Schneider, Johannes S.; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Linear and macrocyclic oligo(<i>p</i>-phenylene iminoboranes) with ferrocenyl side groups - observation of selective, non-templated macrocyclization.","Chemical communications (Cambridge, England)","2023","59","54","8408","8411","10.1039/d3cc01825c","","","0.71073","MoKα","","0.0995","0.0713","","","0.179","0.1981","","","","","","1.045","","","","has coordinates,has disorder","284778","2023-07-04","21:56:41",""
"7131837","8.92","0.004","11.581","0.003","13.82","0.003","90","","100.5","0.03","90","","1403.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 B Br Fe -","- C16 H14 B Br Fe -","- C64 H56 B4 Br4 Fe4 -","4","1","","Schneider, Johannes S.; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Linear and macrocyclic oligo(<i>p</i>-phenylene iminoboranes) with ferrocenyl side groups - observation of selective, non-templated macrocyclization.","Chemical communications (Cambridge, England)","2023","59","54","8408","8411","10.1039/d3cc01825c","","","0.71073","MoKα","","0.033","0.0294","","","0.0743","0.0762","","","","","","1.043","","","","has coordinates","284778","2023-07-04","21:56:41",""
"7131838","21.139","0.003","25.914","0.004","25.518","0.003","90","","109.474","0.004","90","","13179","3","302.83","","303.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H22 N3 O46 P3 U6 -","- C48 H22 N3 O46 P3 U6 -","- C192 H88 N12 O184 P12 U24 -","4","1","","Xiao, Yao; You, Zi Xin; Guan, Qing Lin; Sun, Lixian; Xing, Yongheng; Bai, Fengying","A UOF based on cyclotriphosphazene skeleton: fluorescent sensing of different substituted aldehyde and NACs","Chemical Communications","2023","","","","","10.1039/D3CC02660D","","","0.71073","MoKα","","0.1634","0.078","","","0.1525","0.1802","","","","","","1.048","","","","has coordinates,has disorder","284993","2023-07-05","21:53:20",""
"7131839","16.345","0.002","29.544","0.003","13.7892","0.0017","90","","117.007","0.005","90","","5932.6","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Cl4 N6 O4 -","- C61 H69 Cl N6 O4 -","- C244 H276 Cl4 N24 O16 -","4","0.5","","Sahoo, Sipra Sucharita; Panda, Pradeepta","Bis(napthobipyrrolyl)methene derived Hexapyrrolic BODIPY as a Single Molecule Helicate with Near Infrared Emission","Chemical Communications","2023","","","","","10.1039/D3CC02336B","","","0.71073","MoKα","","0.1304","0.0763","","","0.1718","0.1985","","","","","","1.052","","","","has coordinates,has disorder","284994","2023-07-05","21:55:13",""
"7131840","14.163","0.0005","31.592","0.0008","13.5347","0.0004","90","","101.346","0.003","90","","5937.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H74.5 B Cl1.5 F2 N6 O4 -","- C64.5 H74.5 B Cl1.5 F2 N6 O4 -","- C258 H298 B4 Cl6 F8 N24 O16 -","4","1","","Sahoo, Sipra Sucharita; Panda, Pradeepta","Bis(napthobipyrrolyl)methene derived Hexapyrrolic BODIPY as a Single Molecule Helicate with Near Infrared Emission","Chemical Communications","2023","","","","","10.1039/D3CC02336B","","","0.71073","MoKα","","0.1066","0.0694","","","0.2036","0.2329","","","","","","1.063","","","","has coordinates,has disorder","284994","2023-07-05","21:55:13",""
"7131841","6.3605","0.0005","11.1325","0.001","18.2872","0.0015","83.955","0.003","85.127","0.003","77.934","0.003","1256.6","0.18","299","","299","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 N O5 S -","- C22 H29 Cl2 N O5 S -","- C44 H58 Cl4 N2 O10 S2 -","2","1","","Srinivas, Dasari; Mounika, Kurella; Satyanarayana, Gedu","Access to distal <i>meta</i>-C-H functionalization of arylmethanesulfonic acid derivatives.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02260a","","","0.71073","MoKα","","0.1284","0.0551","","","0.1187","0.1484","","","","","","1.017","","","","has coordinates","284995","2023-07-05","21:55:53",""
"7131842","11.973","0.003","12.393","0.003","20.373","0.004","99.341","0.007","93.667","0.007","113.676","0.007","2703.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H165 Al2 N8 -","- C117 H165 Al2 N8 -","- C117 H165 Al2 N8 -","1","0.5","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Ravindranathan, Sapna; Gonnade, Rajesh G.; Sen, Sakya S.","On the competition between six-membered and five-membered NHC towards alane centered ring expansion.","Chemical communications (Cambridge, England)","2023","59","55","8540","8543","10.1039/d3cc02063k","","","0.71073","MoKα","","0.0719","0.0543","","","0.1276","0.1393","","","","","","1.043","","","","has coordinates","285064","2023-07-06","21:54:11",""
"7131843","21.7906","0.0014","17.5474","0.0011","17.0364","0.0012","90","","111.758","0.002","90","","6050.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Al Br3 N2 -","- C28 H40 Al Br3 N2 -","- C224 H320 Al8 Br24 N16 -","8","2","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Ravindranathan, Sapna; Gonnade, Rajesh G.; Sen, Sakya S.","On the competition between six-membered and five-membered NHC towards alane centered ring expansion.","Chemical communications (Cambridge, England)","2023","59","55","8540","8543","10.1039/d3cc02063k","","","0.71073","MoKα","","0.1452","0.0633","","","0.0994","0.1207","","","","","","1.009","","","","has coordinates","285064","2023-07-06","21:54:12",""
"7131844","10.812","0.007","16.198","0.011","17.618","0.013","90","","90","","90","","3085","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 Al F3 N2 O3 S -","- C29 H42 Al F3 N2 O3 S -","- C116 H168 Al4 F12 N8 O12 S4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Ravindranathan, Sapna; Gonnade, Rajesh G.; Sen, Sakya S.","On the competition between six-membered and five-membered NHC towards alane centered ring expansion.","Chemical communications (Cambridge, England)","2023","59","55","8540","8543","10.1039/d3cc02063k","","","0.71073","MoKα","","0.0791","0.0491","","","0.1164","0.1252","","","","","","1.047","","","","has coordinates","285064","2023-07-06","21:54:12",""
"7131845","9.8721","0.0006","10.9778","0.0007","15.0003","0.001","111.083","0.006","96.959","0.005","94.009","0.005","1494.3","0.18","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O6 S -","- C32 H33 N3 O6 S -","- C64 H66 N6 O12 S2 -","2","1","","Zheng, Jianfeng; Bi, Jingzhi; Ma, Lan; Chen, Lvli; Tang, Luhao; Xiong, Dong; Tian, Yin","Metal-free anomalous [5+1] cycloaddition reactions of donor-acceptor aziridines for the synthesis of 2<i>H</i>-1,4-oxazines.","Chemical communications (Cambridge, England)","2023","59","55","8572","8575","10.1039/d3cc02193a","","x-ray","0.71073","MoKα","","0.0697","0.0462","","","0.1049","0.1177","","","","","","1.034","","","","has coordinates","285065","2023-07-06","21:54:55",""
"7131846","8.253","0.0007","28.894","0.002","13.2728","0.0014","90","","107.124","0.009","90","","3024.8","0.5","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N3 O6 S -","- C32 H33 N3 O6 S -","- C128 H132 N12 O24 S4 -","4","1","","Zheng, Jianfeng; Bi, Jingzhi; Ma, Lan; Chen, Lvli; Tang, Luhao; Xiong, Dong; Tian, Yin","Metal-free anomalous [5+1] cycloaddition reactions of donor-acceptor aziridines for the synthesis of 2<i>H</i>-1,4-oxazines.","Chemical communications (Cambridge, England)","2023","59","55","8572","8575","10.1039/d3cc02193a","","x-ray","0.71073","MoKα","","0.1383","0.0789","","","0.1816","0.2242","","","","","","1.061","","","","has coordinates,has disorder","285065","2023-07-06","21:54:55",""
"7131847","8.4353","0.0005","7.2384","0.0003","25.9862","0.0015","90","","93.184","0.005","90","","1584.22","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 B2 La O -","- C13 H25 B2 La O -","- C52 H100 B8 La4 O4 -","4","1","","Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.","Mono-cyclononatetraenyl lanthanide complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02717a","","x-ray","0.71073","MoKα","","0.0401","0.0331","","","0.0769","0.0783","","","","","","0.952","","","","has coordinates","285066","2023-07-06","21:56:23",""
"7131848","7.338","0.0006","8.7957","0.0004","23.9487","0.0015","90","","92.499","0.006","90","","1544.25","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 B2 Ce O -","- C13 H25 B2 Ce O -","- C52 H100 B8 Ce4 O4 -","4","1","","Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.","Mono-cyclononatetraenyl lanthanide complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02717a","","x-ray","0.71073","MoKα","","0.0731","0.0522","","","0.1297","0.14","","","","","","1.106","","","","has coordinates","285066","2023-07-06","21:56:24",""
"7131849","8.3963","0.0004","9.0379","0.0004","24.482","0.0011","94.106","0.004","93.801","0.004","94.191","0.004","1843.31","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H65 B2 Ce O6 -","- C33 H65 B2 Ce O6 -","- C66 H130 B4 Ce2 O12 -","2","1","","Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.","Mono-cyclononatetraenyl lanthanide complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02717a","","x-ray","0.71073","MoKα","","0.0875","0.0571","","","0.134","0.1483","","","","","","1.023","","","","has coordinates,has disorder","285066","2023-07-06","21:56:24",""
"7131850","8.251","0.0012","14.037","0.003","20.177","0.002","85.128","0.012","86.013","0.011","75.462","0.013","2251.1","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13.67 H22.33 B2 La -","- C13.6667 H22.3333 B2 La -","- C82 H134 B12 La6 -","6","3","","Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.","Mono-cyclononatetraenyl lanthanide complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02717a","","x-ray","0.71073","MoKα","","0.0391","0.032","","","0.0794","0.0831","","","","","","1.004","","","","has coordinates,has disorder","285066","2023-07-06","21:56:24",""
"7131851","8.4435","0.0003","9.0953","0.0004","24.566","0.0009","94.126","0.003","93.934","0.003","94.032","0.003","1871.88","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H65 B2 La O6 -","- C33 H65 B2 La O6 -","- C66 H130 B4 La2 O12 -","2","1","","Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.","Mono-cyclononatetraenyl lanthanide complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02717a","","x-ray","0.71073","MoKα","","0.0507","0.0301","","","0.0541","0.058","","","","","","0.872","","","","has coordinates,has disorder","285066","2023-07-06","21:56:24",""
"7131852","12.8677","0.0002","13.10453","0.00019","18.2132","0.0003","99.9375","0.0013","90.7104","0.0013","92.7071","0.0012","3021.09","0.08","123.01","0.1","123.01","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H90 Cr2 N4 P2 -","- C66 H90 Cr2 N4 P2 -","- C132 H180 Cr4 N8 P4 -","2","1","","Elsayed Moussa, M.; Rummel, E.-M.; Balázs, G; Riesinger, C.; Noor, A.; Kempe, R.; Scheer, M.","Unusual coordination mode for 1,3-diphosphete ligands towards a Cr-Cr quintuple bond complex.","Chemical communications (Cambridge, England)","2023","59","55","8588","8591","10.1039/d3cc01358h","","","1.54184","CuKα","","0.036","0.0313","","","0.0832","0.0874","","","","","","1.046","","","","has coordinates","285067","2023-07-06","21:57:34",""
"7131853","10.2784","0.0006","22.2038","0.0013","12.5344","0.0005","90","","105.268","0.005","90","","2759.6","0.3","123.1","0.3","123.1","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C61 H73 Cr2 N4 P -","- C61 H73 Cr2 N4 P -","- C122 H146 Cr4 N8 P2 -","2","0.5","","Elsayed Moussa, M.; Rummel, E.-M.; Balázs, G; Riesinger, C.; Noor, A.; Kempe, R.; Scheer, M.","Unusual coordination mode for 1,3-diphosphete ligands towards a Cr-Cr quintuple bond complex.","Chemical communications (Cambridge, England)","2023","59","55","8588","8591","10.1039/d3cc01358h","","","1.54184","CuKα","","0.1074","0.0835","","","0.2358","0.2465","","","","","","1.067","","","","has coordinates,has disorder","285067","2023-07-06","21:57:35",""
"7131854","10.2278","0.001","8.9747","0.0009","15.8181","0.0018","90","","106.584","0.004","90","","1391.6","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Reddy, Chada Raji; Ganesh, Veeramalla; Punna, Nagender","Aminative annulation of cyano-enynyl esters leading to functionalized cyclopentenones.","Chemical communications (Cambridge, England)","2023","59","55","8600","8603","10.1039/d3cc02213g","","","0.71073","MoKα","","0.1209","0.0556","","","0.1386","0.175","","","","","","1.024","","","","has coordinates","285068","2023-07-06","21:58:06",""
"7131855","9.382","0.002","10.472","0.002","17.945","0.004","88.563","0.006","78.673","0.006","72.965","0.006","1651.9","0.6","303","2","303","2","","","","","","","","5","P -1","-P 1","2","ORGANIC","spiro-indolocyclopentene","","- C38 H32 Br2 N2 S2 -","- C38 H32 Br2 N2 S2 -","- C76 H64 Br4 N4 S4 -","2","1","","Muthusamy, Sengodagounder; Naveen, Ramasamy; Kumar, Muniyappankovilthottam Devaraj Senthil","Base-mediated cascade synthesis of indole diolefins: a route to spiro[cyclopentene-indole]thiones and thiepino[2,3-<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2023","59","55","8560","8563","10.1039/d3cc01870a","","","0.71073","Mokα","","0.2098","0.0637","","","0.1534","0.2212","","","","","","0.931","","","","has coordinates","285069","2023-07-06","21:58:34",""
"7131856","9.6619","0.0008","17.3266","0.0014","18.7101","0.0016","89.065","0.003","85.916","0.003","83.456","0.003","3103.8","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C116 H130 B4 Cl2 F40 N12 O5 Ti2 -","- C116 H130 B4 Cl2 F40 N12 O5 Ti2 -","- C116 H130 B4 Cl2 F40 N12 O5 Ti2 -","1","0.5","","Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.","A mononuclear, terminal titanium(III) imido.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01758c","","","0.71073","MoKα","","0.0951","0.0521","","","0.1057","0.1214","","","","","","1.012","","","","has coordinates,has disorder","285084","2023-07-07","21:54:09",""
"7131857","60.7204","0.0015","21.7118","0.0006","10.0607","0.0002","90","","90","","90","","13263.5","0.6","100","","100","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C27 H49 B F N7 Si Ti -","- C27 H49 B F N7 Si Ti -","- C432 H784 B16 F16 N112 Si16 Ti16 -","16","1","","Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.","A mononuclear, terminal titanium(III) imido.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01758c","","x-ray","0.71073","MoKα","","0.0285","0.0264","","","0.0658","0.0666","","","","","","1.022","","","","has coordinates","285084","2023-07-07","21:54:10",""
"7131858","9.6595","0.0006","16.8693","0.001","19.7287","0.0012","104.961","0.002","92.699","0.002","96.031","0.002","3079.4","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H56 B2 Cl F20 N6 O2 Ti -","- C56 H56 B2 Cl F20 N6 O2 Ti -","- C112 H112 B4 Cl2 F40 N12 O4 Ti2 -","2","1","","Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.","A mononuclear, terminal titanium(III) imido.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01758c","","","0.71073","MoKα","","0.0689","0.0534","","","0.1187","0.1249","","","","","","1.033","","","","has coordinates","285084","2023-07-07","21:54:10",""
"7131859","11.9991","0.0002","26.3427","0.0003","12.144","0.0002","90","","95.928","0.001","90","","3818.05","0.1","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33.5 H63 B N7 O Si Ti -","- C33.5 H63 B N7 O Si Ti -","- C134 H252 B4 N28 O4 Si4 Ti4 -","4","2","","Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.","A mononuclear, terminal titanium(III) imido.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01758c","","x-ray","0.71073","MoKα","","0.0856","0.0701","","","0.1799","0.1901","","","","","","1.015","","","","has coordinates","285084","2023-07-07","21:54:10",""
"7131860","15.56","0.015","15.56","0.015","15.56","0.015","90","","90","","90","","3767","6","163.15","","163.15","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H36 Cd Cl4 P2 -","- C38 H36 Cd Cl4 P2 -","- C152 H144 Cd4 Cl16 P8 -","4","0.333333","","Barman, Shubhankar; Ranjan, Priya; Datta, Anuja","Achiral Phosphonium Induced Remarkable Circular Polarized Luminescence in Chiral Cadmium (II) Halide Perovskite Material","Chemical Communications","2023","","","","","10.1039/D3CC02666C","","","0.71073","MoKα","","0.0217","0.0207","","","0.0584","0.0593","","","","","","1.13","","","","has coordinates","285085","2023-07-07","21:54:56",""
"7131861","13.381","0.005","6.665","0.002","15.732","0.005","90","","94.009","0.009","90","","1399.6","0.8","145","2","144.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","FmocF-AMN","","- C34 H36 N2 O4 -","- C34 H38 N2 O4 -","- C68 H76 N4 O8 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.245","0.1004","","","0.2064","0.2717","","","","","","0.958","","","","has coordinates","285086","2023-07-07","21:56:08",""
"7131862","10.809","0.004","6.008","0.002","17.143","0.006","90","","104.532","0.011","90","","1077.7","0.7","197","2","197.48","","","","","","","","","5","P 1 21 1","P 2yb","4","","NbocF-MAF","","- C21 H29 N3 O6 S -","- C21 H29 N3 O6 S -","- C42 H58 N6 O12 S2 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.1285","0.0622","","","0.1101","0.1421","","","","","","1.004","","","","has coordinates","285086","2023-07-07","21:56:09",""
"7131863","13.423","0.014","6.446","0.007","13.679","0.015","90","","95.363","0.016","90","","1178","2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","NbocF-AMN","","- C24 H36 N2 O4 -","- C24 H36 N2 O4 -","- C48 H72 N4 O8 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.1216","0.0544","","","0.1252","0.1584","","","","","","0.901","","","","has coordinates","285086","2023-07-07","21:56:09",""
"7131864","12.229","0.005","5.6301","0.0017","20.557","0.006","90","","101.471","0.011","90","","1387.1","0.8","260","2","259.84","","","","","","","","","5","P 1 21 1","P 2yb","4","","FmocF-MAF","","- C31 H31 N3 O6 S -","- C31 H31 N3 O6 S -","- C62 H62 N6 O12 S2 -","2","1","","Roy, Nabanita; Datta, Hemanta Kumar; Roy, Rajdip; Dastidar, Parthasarathi","Designing vehicle-free anti-bacterial topical hydrogel from Fmoc-diphenylalanine","Chemical Communications","2023","","","","","10.1039/D3CC01922E","","","0.71073","MoKα","","0.1869","0.0748","","","0.1384","0.1847","","","","","","1.016","","","","has coordinates","285086","2023-07-07","21:56:09",""
"7131865","11.8846","0.0009","11.8525","0.0008","23.941","0.0016","90","","90","","90","","3372.4","0.4","273","2","273.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C10 H32 Bi I9 N4 -","- C10 H32 Bi I9 N4 -","- C40 H128 Bi4 I36 N16 -","4","0.25","","Wang, Yuyin; Zhang, Shaoya; Wang, Yinan; Yan, Jishuang; Yao, Xinran; Xu, Man; Lei, Xiao-Wu; Lin, Guoming; Yue, Cheng-Yang","0D triiodide hybrid halide perovskite for X-ray detection.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01183f","","","0.71073","MoKα","","0.0685","0.0513","","","0.1256","0.1345","","","","","","1.093","","","","has coordinates","285124","2023-07-10","21:53:17",""
"7131866","17.6568","0.0004","13.2884","0.0003","19.2033","0.0004","90","","90.9516","0.0019","90","","4505.06","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H142 Ca2 Co2 N4 O4 -","- C82 H114 Ca2 Co2 N4 O4 -","- C164 H228 Ca4 Co4 N8 O8 -","2","0.5","","Parr, Joseph; White, Andrew J. P.; Crimmin, Mark Richard","Calcium-Stabilised Transition Metal Bis(Formyl) Complexes: Structure and Bonding","Chemical Communications","2023","","","","","10.1039/D3CC03009A","","","1.54184","CuKα","","0.0698","0.0495","","","0.1333","0.1477","","","","","","1.024","","","","has coordinates","285155","2023-07-11","22:00:12",""
"7131867","14.1756","0.0005","14.8989","0.0006","36.7539","0.0013","90","","97.759","0.003","90","","7691.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80.5 H123.5 Ca2 N4 O2 Rh -","- C70 H99 Ca2 N4 O2 Rh -","- C280 H396 Ca8 N16 O8 Rh4 -","4","1","","Parr, Joseph; White, Andrew J. P.; Crimmin, Mark Richard","Calcium-Stabilised Transition Metal Bis(Formyl) Complexes: Structure and Bonding","Chemical Communications","2023","","","","","10.1039/D3CC03009A","","","1.54184","CuKα","","0.2409","0.0935","","","0.1913","0.2724","","","","","","0.89","","","","has coordinates","285155","2023-07-11","22:00:12",""
"7131868","14.217","0.0003","14.8985","0.0003","36.7785","0.0005","90","","97.7586","0.0015","90","","7718.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Ca2 Ir N4 O2 -","- C70 H99 Ca2 Ir N4 O2 -","- C280 H396 Ca8 Ir4 N16 O8 -","4","1","","Parr, Joseph; White, Andrew J. P.; Crimmin, Mark Richard","Calcium-Stabilised Transition Metal Bis(Formyl) Complexes: Structure and Bonding","Chemical Communications","2023","","","","","10.1039/D3CC03009A","","","1.54184","CuKα","","0.1019","0.0656","","","0.1539","0.1684","","","","","","0.96","","","","has coordinates","285155","2023-07-11","22:00:12",""
"7131869","9.2175","0.0006","10.4599","0.0007","10.9144","0.0007","97.41","0.005","109.977","0.006","103.615","0.005","935.6","0.12","233.01","0.1","233.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 Cl N2 -","- C24 H17 Cl N2 -","- C48 H34 Cl2 N4 -","2","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.0494","0.0373","","","0.0969","0.1051","","","","","","1.041","","","","has coordinates","285156","2023-07-11","22:01:36",""
"7131870","23.497","0.0006","7.693","0.0002","25.2904","0.0007","90","","115.156","0.003","90","","4138","0.2","233","0.1","233","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H19 Cl N2 O2 -","- C26 H19 Cl N2 O2 -","- C208 H152 Cl8 N16 O16 -","8","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.0609","0.0418","","","0.1002","0.1097","","","","","","1.103","","","","has coordinates","285156","2023-07-11","22:01:37",""
"7131871","15.0202","0.0006","7.3714","0.0003","16.619","0.0006","90","","99.321","0.003","90","","1815.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Cl N2 -","- C24 H17 Cl N2 -","- C96 H68 Cl4 N8 -","4","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.0797","0.0653","","","0.176","0.2023","","","","","","1.029","","","","has coordinates","285156","2023-07-11","22:01:37",""
"7131872","9.3919","0.0005","10.1672","0.0005","10.7498","0.0005","84.887","0.004","64.323","0.005","82.321","0.004","916.27","0.09","233.01","0.1","233.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 Cl2 N2 -","- C23 H14 Cl2 N2 -","- C46 H28 Cl4 N4 -","2","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.0402","0.033","","","0.0844","0.0893","","","","","","1.045","","","","has coordinates","285156","2023-07-11","22:01:37",""
"7131873","31.8395","0.0003","31.8395","0.0003","8.583","0.0001","90","","90","","120","","7535.33","0.13","100","0.1","100","0.1","","","","","","","","5","R 3 :H","R 3","146","","","","- C40 H24 Cl2 F6 N4 -","- C40 H24 Cl2 F6 N4 -","- C360 H216 Cl18 F54 N36 -","9","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.043","0.0425","","","0.1127","0.1133","","","","","","1.057","","","","has coordinates","285156","2023-07-11","22:01:37",""
"7131874","17.3556","0.0007","17.3556","0.0007","29.8314","0.0019","90","","90","","120","","7781.9","0.7","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C129 H192 Cu21 F12 N9 P2 S20 -","- C129 H192 Cu21 F12.0002 N9 P2 S20 -","- C258 H384 Cu42 F24.0004 N18 P4 S40 -","2","0.166667","","Brocha Silalahi, Rhone P.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, Chen-Wei","A heteroleptic fused bi-cuboctahedral Cu21S2 cluster","Chemical Communications","2023","","","","","10.1039/D3CC02936K","","","0.71073","MoKα","","0.0941","0.0641","","","0.1682","0.1939","","","","","","1.021","","","","has coordinates,has disorder","285157","2023-07-11","22:02:27",""
"7131875","11.2956","0.0004","12.0825","0.0005","13.0422","0.0006","101.757","0.004","100.547","0.004","104.878","0.003","1631.29","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Eu2 N2 O20 S6 -","- C60 H56 Eu2 N2 O20 S6 -","- C60 H56 Eu2 N2 O20 S6 -","1","0.5","","Demakov, Pavel A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Diastereoselective guest-shape dependent [2+2]-photodimerization of 2-cyclopenten-1-one trapped within a metal-organic framework.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02162a","","x-ray","0.71073","MoKα","","0.0376","0.0316","","","0.0799","0.0824","","","","","","1.074","","","","has coordinates,has disorder","285158","2023-07-11","22:03:07",""
"7131876","11.4544","0.0004","12.0514","0.0004","13.0101","0.0004","99.941","0.003","100.886","0.003","108.091","0.003","1624.16","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Eu2 N2 O20 S6 -","- C60 H56 Eu2 N2 O20 S6 -","- C60 H56 Eu2 N2 O20 S6 -","1","0.5","","Demakov, Pavel A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Diastereoselective guest-shape dependent [2+2]-photodimerization of 2-cyclopenten-1-one trapped within a metal-organic framework.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02162a","","x-ray","0.71073","MoKα","","0.0432","0.0353","","","0.089","0.0925","","","","","","1.093","","","","has coordinates,has disorder","285158","2023-07-11","22:03:08",""
"7131877","11.885","0.0003","12.0883","0.0003","13.0418","0.0002","99.461","0.002","101.729","0.002","105.724","0.002","1717.39","0.07","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H67 Eu2 N3 O20 S6 -","- C63 H67 Eu2 N3 O20 S6 -","- C63 H67 Eu2 N3 O20 S6 -","1","0.5","","Demakov, Pavel A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Diastereoselective guest-shape dependent [2+2]-photodimerization of 2-cyclopenten-1-one trapped within a metal-organic framework.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02162a","","x-ray","0.71073","MoKα","","0.0384","0.0343","","","0.0823","0.0845","","","","","","1.046","","","","has coordinates,has disorder","285158","2023-07-11","22:03:08",""
"7131878","11.9926","0.0005","12.1214","0.0004","13.0236","0.0005","100.912","0.001","101.849","0.001","105.29","0.001","1726.83","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H67 Eu2 N3 O20 S6 -","- C63 H67 Eu2 N3 O20 S6 -","- C63 H67 Eu2 N3 O20 S6 -","1","0.5","","Demakov, Pavel A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Diastereoselective guest-shape dependent [2+2]-photodimerization of 2-cyclopenten-1-one trapped within a metal-organic framework.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02162a","","","0.71073","MoKα","","0.0396","0.0353","","","0.0767","0.0784","","","","","","1.086","","","","has coordinates,has disorder","285158","2023-07-11","22:03:08",""
"7131879","12.051","0.0003","12.0871","0.0004","12.9978","0.0003","99.409","0.002","101.617","0.002","101.594","0.002","1775.15","0.09","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H69 Eu2 N O20 S6 -","- C69 H69 Eu2 N O20 S6 -","- C69 H69 Eu2 N O20 S6 -","1","0.5","","Demakov, Pavel A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Diastereoselective guest-shape dependent [2+2]-photodimerization of 2-cyclopenten-1-one trapped within a metal-organic framework.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02162a","","x-ray","0.71073","MoKα","","0.0475","0.041","","","0.1008","0.1042","","","","","","1.077","","","","has coordinates,has disorder","285158","2023-07-11","22:03:08",""
"7131880","9.4126","0.0002","9.9316","0.0003","10.3407","0.0003","90","","103.903","0.002","90","","938.35","0.04","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C28 H56 N8 O12 S4 -","4","1","","Lysenko, Viacheslav; Nazarenko, Kostiantyn; Shishkina, Svitlana; Kostyuk, Aleksandr","Reductive cleavage of annulated 5,6-dihydro-2<i>H</i>-1,2,4-thiadiazine-1,1-dioxides: medium sized ring azasultams.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02849f","","","0.71073","MoKα","","0.0353","0.0321","","","0.0844","0.0865","","","","","","1.07","","","","has coordinates","285181","2023-07-12","21:53:36",""
"7131881","10.7318","0.0003","8.4291","0.0003","13.9477","0.0005","90","","99.819","0.002","90","","1243.22","0.07","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H22 N2 O3 S -","- C9 H22 N2 O3 S -","- C36 H88 N8 O12 S4 -","4","1","","Lysenko, Viacheslav; Nazarenko, Kostiantyn; Shishkina, Svitlana; Kostyuk, Aleksandr","Reductive cleavage of annulated 5,6-dihydro-2<i>H</i>-1,2,4-thiadiazine-1,1-dioxides: medium sized ring azasultams.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02849f","","","0.71073","MoKα","","0.0455","0.0375","","","0.0914","0.0972","","","","","","1.046","","","","has coordinates","285181","2023-07-12","21:53:37",""
"7131882","10.4353","0.0009","17.0537","0.0016","10.9355","0.0009","90","","93.693","0.002","90","","1942","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl2 N12 O12 -","- C8 H12 Cl2 N12 O12 -","- C32 H48 Cl8 N48 O48 -","4","1","","Hu, Yong; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Zhang, Jianguo","Multi-fused heat-resistant nergetic compound constructed by hydrogen bonds","Chemical Communications","2023","","","","","10.1039/D3CC02504G","","","0.71073","MoKα","","0.1884","0.1143","","","0.2997","0.3396","","","","","","1.052","","","","has coordinates,has disorder","285199","2023-07-13","21:55:05",""
"7131883","15.344","0.0013","5.2963","0.0005","14.1981","0.0012","90","","116.175","0.005","90","","1035.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl2 N12 O14 -","- C8 H16 Cl2 N12 O14 -","- C16 H32 Cl4 N24 O28 -","2","0.5","","Hu, Yong; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Zhang, Jianguo","Multi-fused heat-resistant nergetic compound constructed by hydrogen bonds","Chemical Communications","2023","","","","","10.1039/D3CC02504G","","","0.71073","MoKα","","0.1155","0.0735","","","0.1663","0.1841","","","","","","1.092","","","","has coordinates,has disorder","285199","2023-07-13","21:55:07",""
"7131884","20.2437","0.0013","9.7698","0.0006","33.781","0.003","90","","90","","90","","6681.1","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CF3Tio","N-(2,6-bis(3,5-bis(trifluoromethyl)phenyl)phenyl)-4,6-di-tert-butyl-2-imino-1,2-benzoquinone","","- C36 H29 F12 N O -","- C36 H29 F12 N O -","- C288 H232 F96 N8 O8 -","8","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0561","0.0471","","","0.1098","0.1156","","","","","","1.07","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131885","11.6271","0.0013","15.7458","0.0018","20.984","0.002","101.733","0.0016","101.092","0.0016","107.493","0.0016","3452.8","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","(Diso)2OsPPh3 . 2 CH2Cl2","Bis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl-1,2-benzoiminoxolene)- (triphenylphosphine)osmium dichloromethane solvate","","- C72 H93 Cl4 N2 O2 Os P -","- C71 H91 Cl2 N2 O2 Os P -","- C142 H182 Cl4 N4 O4 Os2 P2 -","2","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0273","0.0239","","","0.0613","0.0626","","","","","","1.059","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131886","17.1927","0.0011","22.2351","0.0014","13.901","0.0009","90","","100.305","0.002","90","","5228.4","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-(Diso)2RuCl2","trans-Dichlorobis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl- 1,2-benzoiminoxolene)ruthenium","","- C52 H74 Cl2 N2 O2 Ru -","- C52 H74 Cl2 N2 O2 Ru -","- C208 H296 Cl8 N8 O8 Ru4 -","4","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.09","0.0717","","","0.1315","0.1389","","","","","","1.21","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131887","13.2962","0.0013","13.5768","0.0014","21.676","0.002","76.1839","0.0015","82.2455","0.0015","68.8954","0.0014","3539.7","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","trans-(CF3Tio)2RuCl2","trans-bis(N-2'-(3,5,3"",5""-tetrakis(trifluoromethyl- terphenyl)-4,6-di-tert-butyl-2-iminobenzoquinone) ruthenium dichloride","","- C72 H58 Cl2 F24 N2 O2 Ru -","- C72 H58 Cl2 F24 N2 O2 Ru -","- C144 H116 Cl4 F48 N4 O4 Ru2 -","2","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0556","0.0391","","","0.087","0.0943","","","","","","1.019","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131888","18.8219","0.0008","12.0482","0.0005","22.0868","0.001","90","","92.6706","0.0017","90","","5003.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cis-(Diso)2RuCl2","cis-Dichlorobis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl-1,2-benzoiminoxolene)ruthenium","","- C52 H74 Cl2 N2 O2 Ru -","- C52 H74 Cl2 N2 O2 Ru -","- C208 H296 Cl8 N8 O8 Ru4 -","4","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0426","0.0317","","","0.0634","0.0686","","","","","","1.092","","","","has coordinates","285463","2023-08-05","08:40:11",""
"7131889","11.6411","0.0012","15.7348","0.0016","20.953","0.002","101.789","0.0016","101.156","0.0017","107.309","0.0016","3451.5","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","(Diso)2Ru(PPh3) . 2 CH2Cl2","Bis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl-1,2- benzoiminoxolene)(triphenylphosphine)ruthenium bis(dichloromethane) solvate","","- C72 H93 Cl4 N2 O2 P Ru -","- C72.0001 H93.0002 Cl4.0002 N2 O2 P Ru -","- C144 H186 Cl8.0004 N4 O4 P2 Ru2 -","2","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0407","0.0348","","","0.0931","0.0968","","","","","","1.062","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131890","17.3519","0.0019","22.294","0.003","13.7682","0.0015","90","","100.358","0.0017","90","","5239.3","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-(Diso)2OsCl2","trans-Dichlorobis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl- 1,2-benzoiminoxolene)osmium","","- C52 H74 Cl2 N2 O2 Os -","- C52 H74 Cl2 N2 O2 Os -","- C208 H296 Cl8 N8 O8 Os4 -","4","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0694","0.0625","","","0.127","0.1297","","","","","","1.302","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131891","18.7953","0.0009","12.0376","0.0005","22.148","0.001","90","","92.0871","0.0017","90","","5007.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cis-alpha-(Diso)2OsCl2","cis-alpha-Dichlorobis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl- 1,2-benzoiminoxolene)osmium","","- C52 H74 Cl2 N2 O2 Os -","- C52 H74 Cl2 N2 O2 Os -","- C208 H296 Cl8 N8 O8 Os4 -","4","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0354","0.0256","","","0.0483","0.0507","","","","","","1.198","","","","has coordinates","285463","2023-08-05","08:40:11",""
"7131892","8.1671","0.0005","9.92","0.0006","11.5668","0.0006","109.881","0.002","98.181","0.002","102.053","0.002","838.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br2 N O5 -","- C15 H15 Br2 N O5 -","- C30 H30 Br4 N2 O10 -","2","1","","Joshi, Ashish; Moorthy, Shruti; Chavada, Lilesh Rambhai; Singh, Saurabh Kumar; Pandey, Ashok Kumar","Ru(II)/Ru(IV)-catalyzed C(sp<sup>2</sup>)-H allylation with alkene difunctionalization to access isochroman-1-imines.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01604h","","","0.71073","MoKα","","0.0417","0.0324","","","0.0819","0.0871","","","","","","1.039","","","","has coordinates","285201","2023-07-13","21:59:41",""
"7131893","6.1308","0.0001","11.6294","0.0001","25.4879","0.0003","90","","90","","90","","1817.22","0.04","100.3","0.9","100.3","0.9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Maiti, Mamata; Jana, Sayan Kumar; Maji, Biplab","Asymmetric alkene-alkene reductive cross-coupling reaction via visible-light photoredox/cobalt dual catalysis","Chemical Communications","2023","","","","","10.1039/D3CC02792A","","x-ray","1.54184","CuKα","","0.0437","0.0424","","","0.1044","0.1055","","","","","","1.022","","","","has coordinates","285202","2023-07-13","22:00:07",""
"7131894","15.16","0.003","15.382","0.003","15.98","0.003","108.61","0.003","104.396","0.003","100.007","0.003","3288.1","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H84 Cl3 N6 P3 Pd Si3 -","- C60 H84 Cl3 N6 P3 Pd Si3 -","- C120 H168 Cl6 N12 P6 Pd2 Si6 -","2","1","","Sekiguchi, Jueri; Kazama, Yugo; Ishii, Akihiko; Nakata, Norio","Synthesis of a homoleptic tris(silylene)-palladium(0) complex and a silylyne-bridged tetranuclear palladium cluster","Chemical Communications","2023","","","","","10.1039/D3CC02543H","","","0.71073","MoKα","","0.1171","0.0709","","","0.1314","0.1495","","","","","","0.829","","","","has coordinates","285212","2023-07-14","21:54:06",""
"7131895","14.943","0.0012","15.0116","0.0012","18.1731","0.0014","80.893","0.001","76.352","0.001","76.136","0.001","3823.6","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H96 Cl3 N6 P3 Pd4 Si3 -","- C72 H96 Cl3 N6 P3 Pd4 Si3 -","- C144 H192 Cl6 N12 P6 Pd8 Si6 -","2","1","","Sekiguchi, Jueri; Kazama, Yugo; Ishii, Akihiko; Nakata, Norio","Synthesis of a homoleptic tris(silylene)-palladium(0) complex and a silylyne-bridged tetranuclear palladium cluster","Chemical Communications","2023","","","","","10.1039/D3CC02543H","","","0.71073","MoKα","","0.0437","0.0385","","","0.1087","0.1129","","","","","","1.016","","","","has coordinates,has disorder","285212","2023-07-14","21:54:07",""
"7131896","19.2009","0.0011","12.3001","0.0007","21.4316","0.0013","90","","90","","90","","5061.6","0.5","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(μ-thiourea)-tetrakis(thiourea)-di-copper-(Cu-Cu) sulfate hydrate","","- C6 H26 Cu2 N12 O5 S7 -","- C6 H26 Cu2 N12 O5 S7 -","- C48 H208 Cu16 N96 O40 S56 -","8","1","","Wei, Shuxia; Ma, Chengfeng; Liu, Xinge; Liu, Naiyun; Yuan, MingJun; Xiao, Kang; Yan, Weibo; Xin, Hao","A facial synthesis of a copper (I) thiourea sulphate complex and its application for highly efficient chalcopyrite solar cells","Chemical Communications","2023","","","","","10.1039/D3CC02417B","","","0.71073","MoKα","","0.0752","0.0376","","","0.0656","0.0753","","","","","","1.003","","","","has coordinates","285249","2023-07-17","21:54:55",""
"7131897","13.6588","0.0003","9.30808","0.00016","28.8554","0.0006","90","","95.8388","0.0016","90","","3649.56","0.13","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 Co N4 O5 -","- C40 H44 Co N4 O5 -","- C160 H176 Co4 N16 O20 -","4","2","","Milichko, Valentin; Kulachenkov, Nikita; Orlioglo, Bogdan; Vasilyev, Evgene S.; Povarov, Svyatoslav; Agafontsev, Alexander; Bachinin, Semen; Shipilovskikh, Sergei; Lunev, Artem; Samsonenko, Denis G.; Fedin, Vladimir P.; Kovalenko, Konstantin A.","Metal-mediated tunability of MOF-based optical modulator","Chemical Communications","2023","","","","","10.1039/D3CC02180G","","x-ray","0.71073","MoKα","","0.0384","0.0325","","","0.0736","0.0751","","","","","","0.99","","","","has coordinates,has disorder","285250","2023-07-17","21:55:36",""
"7131898","13.5294","0.0006","9.2669","0.0003","28.7704","0.0012","90","","95.68","0.004","90","","3589.4","0.2","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N4 Ni O5 -","- C40 H44 N4 Ni O5 -","- C160 H176 N16 Ni4 O20 -","4","2","","Milichko, Valentin; Kulachenkov, Nikita; Orlioglo, Bogdan; Vasilyev, Evgene S.; Povarov, Svyatoslav; Agafontsev, Alexander; Bachinin, Semen; Shipilovskikh, Sergei; Lunev, Artem; Samsonenko, Denis G.; Fedin, Vladimir P.; Kovalenko, Konstantin A.","Metal-mediated tunability of MOF-based optical modulator","Chemical Communications","2023","","","","","10.1039/D3CC02180G","","x-ray","0.71073","MoKα","","0.055","0.0474","","","0.0973","0.0996","","","","","","1.115","","","","has coordinates,has disorder","285250","2023-07-17","21:55:37",""
"7131899","10.2255","0.0012","11.5646","0.0013","11.7408","0.0012","84.859","0.003","76.424","0.003","75.669","0.003","1306.9","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Co Fe N4 O2 -","- C27 H33 Co Fe N4 O2 -","- C54 H66 Co2 Fe2 N8 O4 -","2","1","","Chiang, Chien-Wei; Zhang, Kai-Wen; Chen, Jeng-Lung; Hsu, Liang-Ching; Huang, Wei-Hsiang; Chen, Hung-Chi; Lin, Ting-Jun; Sun, Ci-Yang; Li, Yu-Ning","Promotion of S-Nitrosation of Cysteine by Bioinspired {Co(NO)2}10 Complex","Chemical Communications","2023","","","","","10.1039/D3CC02784H","","","0.71073","MoKα","","0.0852","0.0787","","","0.2294","0.2331","","","","","","1.176","","","","has coordinates","285251","2023-07-17","21:56:17",""
"7131900","21.861","0.006","6.7837","0.0016","7.501","0.002","90","","90","","90","","1112.4","0.5","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","orthorhombic","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","","Rastogi, Gaurav K.; Deb, Mohit L.; Baruah, Pranjal K.","Copper-catalysed dehydrogenative self-coupling/cyclization of 5-aminopyrazoles: synthesis and photophysical study of pyridazines.","Chemical communications (Cambridge, England)","2023","59","63","9642","9645","10.1039/d3cc02424e","","","0.71073","MoKα","","0.1356","0.0835","","","0.208","0.2484","","","","","","1.113","","","","has coordinates","285462","2023-08-05","08:39:11",""
"7131901","9.8625","0.0012","24.973","0.003","7.5384","0.001","90","","111.143","0.004","90","","1731.7","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(Z)-2-(1-methyl-3-oxo-1-phenyl-3,10-dihydrofuro[3',4':5,6]pyrano[4,3-b]indol-5(1H)-ylidene)acetonitrile","","- C22 H14 N2 O3 -","- C22 H14 N2 O3 -","- C88 H56 N8 O12 -","4","1","","Kotipalli, Ramesh; Undamatla, Suribabu; Nanubolu, Jagadesh Babu; Maddi, Sridhar Reddy","Rh-Catalyzed Chemo-, Stereo- and Regioselective C-H Cascade Annulation of indolyloxopropanenitriles for Pyranoindoles","Chemical Communications","2023","","","","","10.1039/D3CC02762G","","","0.71073","MoKα","","0.0848","0.0394","","","0.0738","0.0892","","","","","","1.012","","","","has coordinates","285274","2023-07-19","21:54:56",""
"7131902","20.8037","0.0013","8.7396","0.0005","18.1837","0.001","90","","100.716","0.002","90","","3248.4","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 N2 P Si -","- C35 H53 N2 P Si -","- C140 H212 N8 P4 Si4 -","4","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","0.71073","MoKα","","0.0874","0.0493","","","0.1012","0.1203","","","","","","1.038","","","","has coordinates,has disorder","285296","2023-07-20","21:55:33",""
"7131903","11.1312","0.0007","11.1624","0.0007","18.2271","0.0011","87.154","0.003","73.572","0.002","67.701","0.003","2005.6","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H65 N2 P Si -","- C46 H65 N2 P Si -","- C92 H130 N4 P2 Si2 -","2","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34139","GaKα","","0.0822","0.0709","","","0.184","0.1899","","","","","","1.137","","","","has coordinates","285296","2023-07-20","21:55:33",""
"7131904","11.6045","0.0003","18.8105","0.0006","11.9676","0.0003","90","","115.144","0.001","90","","2364.82","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H71 N2 P Si -","- C56 H71 N2 P Si -","- C112 H142 N4 P2 Si2 -","2","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","0.71073","MoKα","","0.0399","0.0383","","","0.1004","0.1018","","","","","","1.034","","","","has coordinates","285296","2023-07-20","21:55:33",""
"7131905","16.6726","0.0008","13.2923","0.0006","18.7216","0.0009","90","","90.063","0.002","90","","4149","0.3","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H63 N2 P Si -","- C49 H63 N2 P Si -","- C196 H252 N8 P4 Si4 -","4","2","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34139","GaKα","","0.1024","0.0587","","","0.1315","0.1526","","","","","","1.071","","","","has coordinates","285296","2023-07-20","21:55:34",""
"7131906","13.281","0.003","16.693","0.003","18.753","0.004","90","","90","","90","","4157.5","1.5","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H63 N2 P Si -","- C49 H63 N2 P Si -","- C196 H252 N8 P4 Si4 -","4","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34138","GaKα","","0.1517","0.0837","","","0.1914","0.2414","","","","","","0.972","","","","has coordinates","285296","2023-07-20","21:55:34",""
"7131907","12.369","0.003","23.579","0.005","19.827","0.005","90","","98.041","0.009","90","","5726","2","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H91 N2 P3 Si -","- C64 H91 N2 P3 Si -","- C256 H364 N8 P12 Si4 -","4","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","0.71073","MoKα","","0.0886","0.0702","","","0.1728","0.186","","","","","","1.056","","","","has coordinates,has disorder","285296","2023-07-20","21:55:34",""
"7131908","26.734","0.002","26.734","0.002","10.4241","0.0014","90","","90","","90","","7450.2","1.3","170","","170","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C43 H58 F N2 P Si -","- C43 H58 F N2 P Si -","- C344 H464 F8 N16 P8 Si8 -","8","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34139","GaKα","","0.1097","0.0663","","","0.1668","0.1899","","","","","","1.017","","","","has coordinates","285296","2023-07-20","21:55:34",""
"7131909","8.549","0.003","9.093","0.002","20.815","0.005","90","","96.522","0.01","90","","1607.6","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Roy, Shantonu; Karmakar, Sudip; Mondal, Imtiaj; Naskar, Koushik; Sarkar, Writhabrata; Deb, Indubhusan","Electrochemical C(sp<sup>3</sup>)-C(sp<sup>3</sup>) cross-dehydrogenative coupling: enabling access to 9-substituted fluorescent acridanes.","Chemical communications (Cambridge, England)","2023","59","59","9074","9077","10.1039/d3cc02127k","","x-ray","1.54184","CuKα","","0.0543","0.0503","","","0.1158","0.1186","","","","","","1.1","","","","has coordinates","285297","2023-07-20","21:56:37",""
"7131910","13.5269","0.0009","9.3422","0.0006","15.1324","0.001","90","","105.484","0.002","90","","1842.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Roy, Shantonu; Karmakar, Sudip; Mondal, Imtiaj; Naskar, Koushik; Sarkar, Writhabrata; Deb, Indubhusan","Electrochemical C(sp<sup>3</sup>)-C(sp<sup>3</sup>) cross-dehydrogenative coupling: enabling access to 9-substituted fluorescent acridanes.","Chemical communications (Cambridge, England)","2023","59","59","9074","9077","10.1039/d3cc02127k","","x-ray","1.54178","CuKα","","0.0492","0.0483","","","0.1241","0.1251","","","","","","1.059","","","","has coordinates","285297","2023-07-20","21:56:38",""
"7131911","7.7764","0.0002","24.8373","0.0006","9.1903","0.0003","90","","113.534","0.003","90","","1627.41","0.09","296.9","","296.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O6 S -","- C17 H16 O6 S -","- C68 H64 O24 S4 -","4","1","","Rajkumar, Deepan Babu; Gnanaoli, Karthiyayini; Puhazhendhi, Arulmozhi; Arunachalam, Tamilselvi; Subbiah, Nagarajan; Sridharan, Vellaisamy; Sivalingam, Soumya; Maheswari, Uma C.","Iodine-catalyzed three-component annulation: Access to highly fluorescent trisubstituted thiophenes","Chemical Communications","2023","","","","","10.1039/D3CC02711B","","x-ray","0.71073","MoKα","","0.0621","0.047","","","0.1236","0.1346","","","","","","1.064","","","","has coordinates","285298","2023-07-20","21:57:04",""
"7131912","16.9971","0.0002","10.8689","0.0002","28.2935","0.0003","90","","93.611","0.001","90","","5216.56","0.13","100","2","100.01","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B Cu N P -","- C64 H70 B Cu N P -","- C256 H280 B4 Cu4 N4 P4 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","","1.54184","CuKα","","0.0736","0.0572","","","0.1447","0.1557","","","","","","1.096","","","","has coordinates","285323","2023-07-24","21:55:54",""
"7131913","17.221","0.005","10.819","0.003","28.277","0.008","90","","92.229","0.01","90","","5264","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 Ag B N P -","- C64 H70 Ag B N P -","- C256 H280 Ag4 B4 N4 P4 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","","0.71073","MoKα","","0.0403","0.0297","","","0.0637","0.0685","","","","","","1.024","","","","has coordinates","285323","2023-07-24","21:55:55",""
"7131914","15.5213","0.0001","11.6302","0.0001","29.0122","0.0002","90","","104.069","0.001","90","","5080.07","0.07","100","2","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C61 H70 B Cu N P -","- C61 H70 B Cu N P -","- C244 H280 B4 Cu4 N4 P4 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","","1.54184","CuKα","","0.0365","0.0326","","","0.0847","0.0871","","","","","","1.04","","","","has coordinates","285323","2023-07-24","21:55:55",""
"7131915","23.4246","0.0002","11.8624","0.0001","24.9377","0.0002","90","","117.985","0.001","90","","6119.23","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H68 B2 Cu2 N2 -","- C80 H68 B2 Cu2 N2 -","- C320 H272 B8 Cu8 N8 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0432","0.0373","","","0.1024","0.1059","","","","","","1.059","","","","has coordinates","285323","2023-07-24","21:55:55",""
"7131916","15.5278","0.0001","11.6023","0.0001","29.4589","0.0002","90","","104.397","0.001","90","","5140.59","0.07","100","2","99.98","0.11","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C61 H70 Au B N P -","- C61 H70 Au B N P -","- C244 H280 Au4 B4 N4 P4 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","","1.54184","CuKα","","0.0247","0.0233","","","0.0573","0.0579","","","","","","1.062","","","","has coordinates","285323","2023-07-24","21:55:56",""
"7131917","23.794","0.009","11.8362","0.0017","24.716","0.009","90","","118.253","0.017","90","","6132","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H68 Ag2 B2 N2 -","- C80 H68 Ag2 B2 N2 -","- C320 H272 Ag8 B8 N8 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","x-ray","0.71073","MoKα","K-L~2,3~","0.0475","0.0349","","","0.0893","0.0982","","","","","","1.062","","","","has coordinates","285323","2023-07-24","21:55:56",""
"7131918","10.739","0.003","14.412","0.004","17.815","0.005","66.696","0.018","85.345","0.019","70.674","0.014","2385.7","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H64 Ag B N P -","- C55 H64 Ag B N P -","- C110 H128 Ag2 B2 N2 P2 -","2","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","","0.71073","MoKα","","0.0343","0.0327","","","0.1027","0.1045","","","","","","1.05","","","","has coordinates,has disorder","285323","2023-07-24","21:55:56",""
"7131919","17.076","0.007","10.901","0.002","28.443","0.009","90","","92.41","0.03","90","","5290","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 Au B N P -","- C64 H70 Au B N P -","- C256 H280 Au4 B4 N4 P4 -","4","1","","Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger","Coinage metal complexes of BN analogues of m-terphenyl ligands","Chemical Communications","2023","","","","","10.1039/D3CC03467D","","","0.71073","MoKα","","0.06","0.0348","","","0.0614","0.0674","","","","","","1.004","","","","has coordinates","285323","2023-07-24","21:55:56",""
"7131920","8.5346","0.0012","10.3557","0.0014","19.111","0.003","90","","91.674","0.005","90","","1688.3","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl2 Sm2 -","- C36 H52 Cl2 Sm2 -","- C72 H104 Cl4 Sm4 -","2","0.5","","Kynman, Amy E.; Christodoulou, Stella; Ouellette, Erik T.; Peterson, Appie; Kelly, Sheridon; Maron, Laurent; Arnold, Polly Louise","Photocatalytic dechlorination of unactivated chlorocarbons including PVC using organolanthanide complexes","Chemical Communications","2023","","","","","10.1039/D3CC02906A","","","0.7288","synchrotron","","0.0419","0.0349","","","0.0902","0.094","","","","","","1.037","","","","has coordinates","285324","2023-07-24","21:57:29",""
"7131921","8.504","0.013","10.398","0.014","19.24","0.03","90","","91.801","0.008","90","","1700","4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl2 Nd2 -","- C36 H52 Cl2 Nd2 -","- C72 H104 Cl4 Nd4 -","2","0.5","","Kynman, Amy E.; Christodoulou, Stella; Ouellette, Erik T.; Peterson, Appie; Kelly, Sheridon; Maron, Laurent; Arnold, Polly Louise","Photocatalytic dechlorination of unactivated chlorocarbons including PVC using organolanthanide complexes","Chemical Communications","2023","","","","","10.1039/D3CC02906A","","","0.7288","synchrotron","","0.0585","0.0482","","","0.1196","0.1275","","","","","","0.986","","","","has coordinates","285324","2023-07-24","21:57:30",""
"7131922","23.9726","0.0015","10.7845","0.0004","18.1114","0.0011","90","","124.638","0.009","90","","3852.5","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C176 H216 N8 O16 -","8","1","","Shibata, Suzuka; Amano, Koutarou; Kojima, Tatsuhiro; Mori, Keiji","Lewis acid-catalyzed formal 1,3-aminomethyl migration","Chemical Communications","2023","","","","","10.1039/D3CC03059H","","x-ray","0.71073","MoKα","","0.0723","0.0451","","","0.0981","0.107","","","","","","1.029","","","","has coordinates","285325","2023-07-24","21:58:19",""
"7131923","9.1187","0.0002","9.7937","0.0002","10.849","0.0003","90","","111.749","0.003","90","","899.91","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F8 N2 O8 -","- C16 H10 F8 N2 O8 -","- C32 H20 F16 N4 O16 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Fang, Xiaoyu; Xu, Changhai; Yan, Dongpeng","CO2-responsive tunable persistent luminescence in a hydrogen-bond organized two-component ionic crystal","Chemical Communications","2023","","","","","10.1039/D3CC03265E","","","1.54178","CuKα","","0.0376","0.0365","","","0.1081","0.1094","","","","","","1.032","","","","has coordinates","285332","2023-07-25","21:53:40",""
"7131924","27.113","0.0009","27.113","0.0009","10.1061","0.0003","90","","90","","90","","7429.1","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H64 N6 O44 U5 -","- C64 H64 N6 O44 U5 -","- C256 H256 N24 O176 U20 -","4","0.5","","Thuéry, Pierre; Kusumoto, Sotaro; ATOINI, Youssef; Koide, Yoshihiro; Chainok, Kittipong; Hayami, Shinya; Kim, Yang; Harrowfield, Jack","Nanotubule inclusion in the channels formed by a six-fold interpenetrated, triperiodic framework","Chemical Communications","2023","","","","","10.1039/D3CC02636A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0573","0.0589","","","","","","1.139","","","","has coordinates","285333","2023-07-25","21:54:12",""
"7131925","30.0348","0.0004","30.0348","0.0004","38.1116","0.0009","90","","90","","120","","29774","0.9","123.02","0.1","123.02","0.1","","","","","","","","8","R -3 :H","-R 3","148","","","","- C344.4 H412.8 Br32 Cl4.8 Cu32 Fe6 N6 P30 -","- C344.4 H412.8 Br32 Cl4.8 Cu31.9996 Fe6 N6 P30 -","- C1033.2 H1238.4 Br96 Cl14.4 Cu95.9988 Fe18 N18 P90 -","3","0.166667","","Heinl, Sebastian; Peresypkina, Eugenia V.; Kremer, Werner; Scheer, Manfred","A lens-shaped supramolecule based on the bulky pentaphosphaferrocene [CpBIGFe(η5-P5)] and CuBr2","Chemical Communications","2023","","","","","10.1039/D3CC03244B","","","1.54178","CuKα","","0.0552","0.0492","","","0.1553","0.1581","","","","","","1.07","","","","has coordinates,has disorder","285351","2023-07-26","21:56:31",""
"7131926","5.80174","0.00008","8.60271","0.00012","11.79661","0.00016","90","","99.5596","0.0005","90","","580.601","0.014","168","","168","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 B F3 N3 P -","- C9 H10 B F3 N3 P -","- C18 H20 B2 F6 N6 P2 -","2","1","","Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian","Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts","Chemical Communications","2023","","","","","10.1039/D3CC03268J","","","0.71073","MoKα","","0.0264","0.0261","","","0.059","0.0594","","","","","","1.159","","","","has coordinates","285352","2023-07-26","21:58:30",""
"7131927","10.3822","0.0004","8.4426","0.0002","21.5901","0.0007","90","","95.434","0.001","90","","1883.93","0.1","100","","99.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 F6 N3 P2 -","- C15 H23 F6 N3 P2 -","- C60 H92 F24 N12 P8 -","4","1","","Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian","Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts","Chemical Communications","2023","","","","","10.1039/D3CC03268J","","","0.71073","MoKα","","0.0712","0.0597","","","0.1619","0.1711","","","","","","1.049","","","","has coordinates","285352","2023-07-26","21:58:31",""
"7131928","11.2355","0.0002","30.5407","0.0005","9.5592","0.0002","90","","90","","90","","3280.14","0.1","100","","100","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C14 H20 B F3 N3 P -","- C14 H20 B F3 N3 P -","- C112 H160 B8 F24 N24 P8 -","8","2","","Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian","Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts","Chemical Communications","2023","","","","","10.1039/D3CC03268J","","","0.71073","MoKα","","0.0286","0.027","","","0.0676","0.0688","","","","","","1.047","","","","has coordinates","285352","2023-07-26","21:58:31",""
"7131929","10.71411","0.00007","8.96879","0.00006","13.55016","0.00009","90","","111.91","0.0002","90","","1208.02","0.014","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F4 N3 P -","- C9 H11 B F4 N3 P -","- C36 H44 B4 F16 N12 P4 -","4","1","","Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian","Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts","Chemical Communications","2023","","","","","10.1039/D3CC03268J","","","1.54178","CuKα","","0.0311","0.0301","","","0.0771","0.0779","","","","","","1.0617","","","","has coordinates","285352","2023-07-26","21:58:31",""
"7131930","14.06027","0.00009","23.24206","0.00015","14.36186","0.00009","90","","102.728","0.0002","90","","4577.97","0.05","102.6","","102.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 B N3 P -","- C21 H37 B N3 P -","- C168 H296 B8 N24 P8 -","8","2","","Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian","Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts","Chemical Communications","2023","","","","","10.1039/D3CC03268J","","","1.54178","CuKα","","0.0348","0.0327","","","0.0874","0.0896","","","","","","1.0328","","","","has coordinates","285352","2023-07-26","21:58:31",""
"7131931","13.1317","0.0001","19.004","0.0001","34.9608","0.0002","90","","96.671","0.001","90","","8665.57","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81.04 H112.01 Cl6.04 N7 O16 P -","- C81.0454 H112.007 Cl6.038 N7 O16 P -","- C324.182 H448.03 Cl24.152 N28 O64 P4 -","4","1","","Kim, Sung Kuk; Yang, Ju Ho","A Squaramide Cage Capable of Binding and Extracting H2PO4- and HP2O73- in Highly Polar Protic Media","Chemical Communications","2023","","","","","10.1039/D3CC02611F","","x-ray","1.54184","CuKα","","0.0482","0.0444","","","0.1205","0.1229","","","","","","1.032","","","","has coordinates,has disorder","285353","2023-07-26","21:59:27",""
"7131932","9.0145","0.0002","10.9285","0.0002","12.2912","0.0002","90","","94.106","0.002","90","","1207.76","0.04","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C68 H52 N4 -","2","0.5","","Tsuchiya, Takahiro; Hamano, Tomohiro; Inoue, Masahiro; Nakamura, Tomoya; Wakamiya, Atsushi; Mazaki, Yasuhiro","Intense Absorption of Azulene Realized by Molecular Orbital Inversion","Chemical Communications","2023","","","","","10.1039/D3CC02311G","","x-ray","1.54178","CuKα","","0.0388","0.0369","","","0.09","0.0913","","","","","","1.082","","","","has coordinates,has disorder","285354","2023-07-26","22:00:34",""
"7131933","11.3794","0.0003","9.6787","0.0002","14.2709","0.0003","90","","107.337","0.003","90","","1500.36","0.06","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-[(p-MeOBz)2N]2-azulene","N2,N2,N6,N6-tetrakis(4-methoxyphenyl)azulene-2,6-diamine","","- C38 H34 N2 O4 -","- C38 H34 N2 O4 -","- C76 H68 N4 O8 -","2","0.5","","Tsuchiya, Takahiro; Hamano, Tomohiro; Inoue, Masahiro; Nakamura, Tomoya; Wakamiya, Atsushi; Mazaki, Yasuhiro","Intense Absorption of Azulene Realized by Molecular Orbital Inversion","Chemical Communications","2023","","","","","10.1039/D3CC02311G","","x-ray","1.54178","CuKα","","0.0581","0.0553","","","0.1248","0.126","","","","","","1.193","","","","has coordinates,has disorder","285354","2023-07-26","22:00:34",""
"7131934","9.4361","0.0003","17.0463","0.001","20.2087","0.0009","90","","90","","90","","3250.6","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 Br2 N2 O4 -","- C38 H32 Br2 N2 O4 -","- C152 H128 Br8 N8 O16 -","4","1","","Tsuchiya, Takahiro; Hamano, Tomohiro; Inoue, Masahiro; Nakamura, Tomoya; Wakamiya, Atsushi; Mazaki, Yasuhiro","Intense Absorption of Azulene Realized by Molecular Orbital Inversion","Chemical Communications","2023","","","","","10.1039/D3CC02311G","","","1.54184","CuKα","","0.0581","0.0451","","","0.1091","0.1137","","","","","","1.056","","","","has coordinates","285354","2023-07-26","22:00:35",""
"7131935","17.1091","0.0003","9.5266","0.0002","17.0439","0.0003","90","","96.493","0.002","90","","2760.19","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br2 N2 -","- C34 H24 Br2 N2 -","- C136 H96 Br8 N8 -","4","1","","Tsuchiya, Takahiro; Hamano, Tomohiro; Inoue, Masahiro; Nakamura, Tomoya; Wakamiya, Atsushi; Mazaki, Yasuhiro","Intense Absorption of Azulene Realized by Molecular Orbital Inversion","Chemical Communications","2023","","","","","10.1039/D3CC02311G","","","1.54184","CuKα","","0.037","0.0316","","","0.08","0.0843","","","","","","1.061","","","","has coordinates","285354","2023-07-26","22:00:35",""
"7131936","14.9785","0.0003","15.3177","0.0003","15.6939","0.0003","95.299","0.002","108.4","0.002","110.628","0.002","3112.48","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.01 H39 Al F36.01 O6 P5 Ta -","- C47 H39 Al F36 O6 P5 Ta -","- C94 H78 Al2 F72 O12 P10 Ta2 -","2","1","","Riesinger, Christoph; Erhard, Alexander; Scheer, Manfred","Ring Expansion vs. Addition – Reactivity of a cyclo-P4 Complex Towards Pnictogenium Cations","Chemical Communications","2023","","","","","10.1039/D3CC03369D","","x-ray","1.54184","CuKα","","0.0389","0.0358","","","0.0929","0.0953","","","","","","1.038","","","","has coordinates,has disorder","285355","2023-07-26","22:02:36",""
"7131937","10.6596","0.0004","16.9425","0.0005","21.4058","0.0007","109.867","0.003","91.228","0.003","98.222","0.003","3588.2","0.2","123","0.1","123","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C52 H58 Al F36 I O6 P4 Sb Ta -","- C52 H56 Al F36 I O6 P4 Sb Ta -","- C104 H112 Al2 F72 I2 O12 P8 Sb2 Ta2 -","2","1","","Riesinger, Christoph; Erhard, Alexander; Scheer, Manfred","Ring Expansion vs. Addition – Reactivity of a cyclo-P4 Complex Towards Pnictogenium Cations","Chemical Communications","2023","","","","","10.1039/D3CC03369D","","","1.54184","CuKα","","0.0724","0.0545","","","0.129","0.1427","","","","","","1.012","","","","has coordinates,has disorder","285355","2023-07-26","22:02:36",""
"7131938","11.8387","0.0003","17.1357","0.0003","20.9703","0.0005","111.931","0.002","96.332","0.002","90.449","0.002","3916.65","0.16","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H52 Al F36 O8 P8 Sb Ta2 -","- C58 H52 Al F36 O8 P8 Sb Ta2 -","- C116 H104 Al2 F72 O16 P16 Sb2 Ta4 -","2","1","","Riesinger, Christoph; Erhard, Alexander; Scheer, Manfred","Ring Expansion vs. Addition – Reactivity of a cyclo-P4 Complex Towards Pnictogenium Cations","Chemical Communications","2023","","","","","10.1039/D3CC03369D","","","1.54184","CuKα","","0.0441","0.0381","","","0.0985","0.1035","","","","","","1.024","","","","has coordinates,has disorder","285355","2023-07-26","22:02:36",""
"7131939","10.4865","0.0002","14.5949","0.0003","21.4991","0.0005","79.473","0.002","79.942","0.002","85.707","0.001","3182.19","0.12","122.98","0.14","122.98","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Al As F37 O6 P4 Ta -","- C43 H43 Al As F36 O6 P4 Ta -","- C86 H86 Al2 As2 F72 O12 P8 Ta2 -","2","1","","Riesinger, Christoph; Erhard, Alexander; Scheer, Manfred","Ring Expansion vs. Addition – Reactivity of a cyclo-P4 Complex Towards Pnictogenium Cations","Chemical Communications","2023","","","","","10.1039/D3CC03369D","","x-ray","1.54184","CuKα","","0.0392","0.0389","","","0.1024","0.1026","","","","","","1.064","","","","has coordinates,has disorder","285355","2023-07-26","22:02:36",""
"7131940","15.59941","0.00008","16.56789","0.00007","16.9","0.00007","112.531","0.0004","99.2052","0.0004","91.6604","0.0004","3962.9","0.03","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H64 Al F36 O7 P9 Ta2 -","- C57 H64 Al F36 O7 P9 Ta2 -","- C114 H128 Al2 F72 O14 P18 Ta4 -","2","1","","Riesinger, Christoph; Erhard, Alexander; Scheer, Manfred","Ring Expansion vs. Addition – Reactivity of a cyclo-P4 Complex Towards Pnictogenium Cations","Chemical Communications","2023","","","","","10.1039/D3CC03369D","","x-ray","1.54184","CuKα","","0.025","0.0249","","","0.0628","0.0628","","","","","","1.149","","","","has coordinates,has disorder","285355","2023-07-26","22:02:36",""
"7131941","6.1254","0.0009","14.52","0.002","6.9482","0.001","90","","90.437","0.005","90","","617.96","0.15","273","2","273.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl4 Mn N2 -","- C6 H16 Cl4 Mn N2 -","- C12 H32 Cl8 Mn2 N4 -","2","0.5","","Liu, Yu-Hang; Wu, Yi-Fan; Feng, Li-Juan; Zhao, Rui-Rui; Wang, Shan-Xiao; Zhang, Ming-Ming; Wang, Dan-Yang; Kong, Xiangwen; Lei, Xiao-Wu","Reversible Structural Transformations and Color-Tunable Emissions in Organic Manganese Halides","Chemical Communications","2023","","","","","10.1039/D3CC02093B","","","0.71073","MoKα","","0.0214","0.0189","","","0.045","0.046","","","","","","1.065","","","","has coordinates","285363","2023-07-27","21:56:08",""
"7131942","18.9411","0.0003","11.435","0.0002","23.3417","0.0004","90","","90","","90","","5055.61","0.15","123.15","","123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Co N3 O6 -","- C26 H17 Co N3 O6 -","- C208 H136 Co8 N24 O48 -","8","1","","Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","Ideal trigonal prismatic coordination geometry of Co(II) in a honeycomb MOF with a triptycene-based ligand","Chemical Communications","2023","","","","","10.1039/D3CC02986G","","x-ray","0.71073","MoKα","","0.0969","0.0754","","","0.2452","0.2789","","","","","","1.082","","","","has coordinates,has disorder","285364","2023-07-27","21:56:49",""
"7131943","11.6718","0.0002","18.9425","0.0003","11.4351","0.0002","90","","90","","90","","2528.22","0.07","123.15","","123.15","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C20 H8 Co O6 -","- C20 H8 Co O6 -","- C80 H32 Co4 O24 -","4","0.25","","Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","Ideal trigonal prismatic coordination geometry of Co(II) in a honeycomb MOF with a triptycene-based ligand","Chemical Communications","2023","","","","","10.1039/D3CC02986G","","x-ray","0.71073","MoKα","","0.0285","0.028","","","0.0802","0.0805","","","","","","1.107","","","","has coordinates","285364","2023-07-27","21:56:49",""
"7131944","19.0357","","8.0591","","19.0655","","90","","112.481","","90","","2702.58","","298","","298","","","","100","","","","","7","P 1 2 1","P 2y","3","SIFSIX","[Cu2(Cu(pyac)2)2(SiF6)]n","","- C40 H40 Cu3 F6 N4 O8 Si -","- C40 H40 Cu3 F6 N4 O8 Si -","- C40 H40 Cu3 F6 N4 O8 Si -","1","0.5","","Tous-Granados , Alberto M.; Hernandez-Maldonado, Arturo J.","A SIFSIX-MOF constructed from a metalloligand yields enhanced stability for selective CO2 adsorption","Chemical Communications","2023","","","","","10.1039/D3CC02683C","powder diffraction","x-ray","1.5418","CuKα","","","","","","0.15463","","0.78729","","7.158","","","","","","","has coordinates","285365","2023-07-27","21:57:13",""
"7131945","10.975","0.0007","12.9016","0.0008","15.8408","0.0011","74.345","0.002","81.891","0.002","89.567","0.002","2137.1","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H23 N3 -","- C27 H23 N3 -","- C108 H92 N12 -","4","2","","Chen, Dianpeng; Li, Jianming; Liu, Gongle; Zhang, Xiuhua; Wang, Xin; Liu, Yongwei; Liu, Xuan; Liu, Xinghai; Li, Yongqin; Shan, Yingying","Accessing indole-isoindole derivatives via palladium-catalyzed [3+2] cyclization of isocyanides with alkynyl imines","Chemical Communications","2023","","","","","10.1039/D3CC02654J","","","0.71073","MoKα","","0.0526","0.0445","","","0.1054","0.1116","","","","","","1.036","","","","has coordinates,has disorder","285373","2023-07-28","21:54:36",""
"7131946","13.756","0.008","8.641","0.005","14.081","0.008","90","","113.558","0.014","90","","1534.2","1.5","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Panigrahi, Pritishree; Ghosh, Subhendu; Khandelia, Tamanna; Mandal, Raju; Patel, Bhisma K.","Isoxazole as nitrile synthon: En routes to ortho-alkenylated isoxazole and benzonitrile with allyl sulfone catalyzed by Ru(II)","Chemical Communications","2023","","","","","10.1039/D3CC02996D","","","0.71073","MoKα","","0.0421","0.0376","","","0.1028","0.1091","","","","","","1.028","","","","has coordinates","285394","2023-07-31","21:54:40",""
"7131947","11.329","0.0019","11.9454","0.0019","12.742","0.002","63.668","0.005","76.19","0.005","80.226","0.005","1496.7","0.4","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31.926 H14.852 B Cl1.852 F15 N -","- C31.926 H14.852 B Cl1.852 F15 N -","- C63.852 H29.704 B2 Cl3.704 F30 N2 -","2","1","","Cui, Jie; Wang, Tongdao","B(C6F5)3-mediated direct intramolecular C7-alkenylation of N-propargylindoles","Chemical Communications","2023","","","","","10.1039/D3CC02599C","","","0.71073","MoKα","","0.0779","0.0486","","","0.1221","0.1375","","","","","","1.0401","","","","has coordinates","285395","2023-07-31","21:56:28",""
"7131948","17.8727","0.0012","12.5536","0.0008","18.2517","0.0011","90","","110.948","0.003","90","","3824.4","0.4","190","2","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 B F15 N2 -","- C41 H34 B F15 N2 -","- C164 H136 B4 F60 N8 -","4","1","","Cui, Jie; Wang, Tongdao","B(C6F5)3-mediated direct intramolecular C7-alkenylation of N-propargylindoles","Chemical Communications","2023","","","","","10.1039/D3CC02599C","","","0.71073","MoKα","","0.1926","0.0619","","","0.1163","0.1564","","","","","","0.963","","","","has coordinates","285395","2023-07-31","21:56:28",""
"7131949","11.025","0.002","12.418","0.003","13.411","0.003","84.392","0.007","82.602","0.006","67.882","0.006","1684.4","0.6","300","2","300.4","","","","","","","","","5","P -1","-P 1","2","","","","- C39.96 H24.24 B F15 N -","- C36 H15 B F15 N -","- C72 H30 B2 F30 N2 -","2","1","","Cui, Jie; Wang, Tongdao","B(C6F5)3-mediated direct intramolecular C7-alkenylation of N-propargylindoles","Chemical Communications","2023","","","","","10.1039/D3CC02599C","","","0.71073","MoKα","","0.0924","0.0462","","","0.1","0.1187","","","","","","1.0365","","","","has coordinates","285395","2023-07-31","21:56:28",""
"7131950","20.3655","0.0006","13.5543","0.0006","20.8012","0.0008","90","","93.36","0.002","90","","5732.1","0.4","190","2","190","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H12 B Cl F15 N -","- C31 H11 B F15 N -","- C248 H88 B8 F120 N8 -","8","1","","Cui, Jie; Wang, Tongdao","B(C6F5)3-mediated direct intramolecular C7-alkenylation of N-propargylindoles","Chemical Communications","2023","","","","","10.1039/D3CC02599C","","","0.71073","MoKα","","0.0651","0.0396","","","0.091","0.102","","","","","","1.0371","","","","has coordinates","285395","2023-07-31","21:56:29",""
"7131951","12.0222","0.0002","8.7354","0.0002","22.4535","0.0003","90","","95.275","0.001","90","","2348.05","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 O2 -","- C29 H26 N4 O2 -","- C116 H104 N16 O8 -","4","1","","Shi, Maoqing; Niu, Gejun; Zhang, Tianyuan; Xu, Aimin; Zheng, Rimei; yusuf, abdulla; Shi, Taoda; Hu, Wenhao; Qian, Yu","Silver-Catalyzed Pyrazole Migration and Cycloaddition Reaction of Diazo Pyrazoleamides with Ketimines","Chemical Communications","2023","","","","","10.1039/D3CC03253A","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.1007","0.1041","","","","","","1.065","","","","has coordinates","285396","2023-07-31","21:57:55",""
"7131952","9.9599","0.0005","11.033","0.0003","11.8","0.0005","86.694","0.003","71.741","0.004","86.666","0.003","1228.24","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl N4 O2 -","- C29 H29 Cl N4 O2 -","- C58 H58 Cl2 N8 O4 -","2","1","","Shi, Maoqing; Niu, Gejun; Zhang, Tianyuan; Xu, Aimin; Zheng, Rimei; yusuf, abdulla; Shi, Taoda; Hu, Wenhao; Qian, Yu","Silver-Catalyzed Pyrazole Migration and Cycloaddition Reaction of Diazo Pyrazoleamides with Ketimines","Chemical Communications","2023","","","","","10.1039/D3CC03253A","","x-ray","1.54184","CuKα","","0.0872","0.0841","","","0.2449","0.2461","","","","","","1.02","","","","has coordinates","285396","2023-07-31","21:58:09",""
"7131953","13.1778","0.0004","14.3635","0.0004","13.5804","0.0004","90","","96.473","0.003","90","","2554.1","0.13","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N4 O2 -","- C33 H26 N4 O2 -","- C132 H104 N16 O8 -","4","1","","Shi, Maoqing; Niu, Gejun; Zhang, Tianyuan; Xu, Aimin; Zheng, Rimei; yusuf, abdulla; Shi, Taoda; Hu, Wenhao; Qian, Yu","Silver-Catalyzed Pyrazole Migration and Cycloaddition Reaction of Diazo Pyrazoleamides with Ketimines","Chemical Communications","2023","","","","","10.1039/D3CC03253A","","x-ray","1.54184","CuKα","","0.0653","0.0564","","","0.1546","0.1628","","","","","","1.048","","","","has coordinates","285396","2023-07-31","21:58:09",""
"7131954","16.8499","0.0001","16.0418","0.0001","19.5299","0.0001","90","","90.45","0.001","90","","5278.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 O2 -","- C34 H28 N4 O2 -","- C272 H224 N32 O16 -","8","2","","Shi, Maoqing; Niu, Gejun; Zhang, Tianyuan; Xu, Aimin; Zheng, Rimei; yusuf, abdulla; Shi, Taoda; Hu, Wenhao; Qian, Yu","Silver-Catalyzed Pyrazole Migration and Cycloaddition Reaction of Diazo Pyrazoleamides with Ketimines","Chemical Communications","2023","","","","","10.1039/D3CC03253A","","x-ray","1.54184","CuKα","","0.0412","0.0404","","","0.0939","0.0943","","","","","","1.146","","","","has coordinates","285396","2023-07-31","21:58:09",""
"7131955","10.4243","0.0012","10.867","0.0012","11.5682","0.0011","88.268","0.005","88.338","0.005","61.795","0.005","1154.2","0.2","150.02","","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 F6 N O4 S2 -","- C23 H15 F6 N O4 S2 -","- C46 H30 F12 N2 O8 S4 -","2","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0863","0.0554","","","0.1435","0.1654","","","","","","1.02","","","","has coordinates","285406","2023-08-01","21:59:00",""
"7131956","14.1776","0.0014","8.8685","0.0007","11.4845","0.0012","90","","90","","90","","1444","0.2","149.99","","149.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H F21 O6 S2 -","- C23 H F21 O6 S2 -","- C46 H2 F42 O12 S4 -","2","0.5","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0371","0.0312","","","0.0768","0.082","","","","","","1.045","","","","has coordinates","285406","2023-08-01","21:59:03",""
"7131957","9.9197","0.0008","17.5835","0.0016","13.4091","0.0012","90","","111.71","","90","","2173","0.3","149.7","","149.7","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O -","- C30 H22 O -","- C120 H88 O4 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0789","0.0532","","","0.1305","0.1515","","","","","","1.02","","","","has coordinates","285406","2023-08-01","21:59:04",""
"7131958","16.1578","0.0011","12.5812","0.0008","16.8539","0.0011","90","","103.341","0.004","90","","3333.7","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H15 B Cl F15 -","- C39 H15 B Cl F15 -","- C156 H60 B4 Cl4 F60 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0932","0.0654","","","0.1524","0.1713","","","","","","1.137","","","","has coordinates","285406","2023-08-01","21:59:04",""
"7131959","13.468","0.003","15.211","0.003","15.382","0.003","82.704","0.012","66.558","0.012","77.177","0.013","2816.4","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C118.5 H50 B2 F44 P2 -","- C120 H50 B2 F44 P2 -","- C120 H50 B2 F44 P2 -","1","0.5","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.1864","0.0714","","","0.1524","0.2086","","","","","","1.0339","","","","has coordinates","285406","2023-08-01","21:59:04",""
"7131960","11.3424","0.0014","21.644","0.003","15.929","0.002","90","","99.476","0.004","90","","3857.1","0.9","150.01","","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H15 B F20 -","- C45 H15 B F20 -","- C180 H60 B4 F80 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0568","0.0356","","","0.0783","0.0915","","","","","","1.061","","","","has coordinates","285406","2023-08-01","21:59:04",""
"7131961","10.8368","0.0015","20.352","0.003","21.873","0.003","64.316","0.005","75.794","0.005","78.866","0.006","4193.7","1","150.02","","150.02","","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H6 B Cl F30 -","- C45.5 H6 B Cl F30 -","- C182 H24 B4 Cl4 F120 -","4","2","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.2982","0.0867","","","0.1466","0.2284","","","","","","1.004","","","","has coordinates","285406","2023-08-01","21:59:04",""
"7131962","18.681","0.0019","18.2999","0.0017","17.4184","0.0014","90","","100.913","0.006","90","","5847","0.9","150.01","","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H50 B F20 O P -","- C66 H50 B F20 O P -","- C264 H200 B4 F80 O4 P4 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.1896","0.0887","","","0.1805","0.2344","","","","","","1.103","","","","has coordinates","285406","2023-08-01","21:59:04",""
"7131963","12.216","0.004","12.34","0.004","15.353","0.005","97.878","0.009","90.337","0.008","109.858","0.008","2152.8","1.2","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H27 B Cl F15 P -","- C51 H27 B Cl F15 P -","- C102 H54 B2 Cl2 F30 P2 -","2","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.1566","0.0771","","","0.19","0.2466","","","","","","1.0543","","","","has coordinates","285406","2023-08-01","21:59:05",""
"7131964","13.8258","0.0014","12.3979","0.0011","20.914","0.002","90","","101.592","0.006","90","","3511.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H10 B F22 -","- C42 H10 B F22 -","- C168 H40 B4 F88 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.083","0.0442","","","0.0927","0.113","","","","","","1.08","","","","has coordinates","285406","2023-08-01","21:59:05",""
"7131965","12.2002","0.0011","36.485","0.004","13.2044","0.0015","90","","90","","90","","5877.6","1.1","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H20 B F30 P -","- C63 H20 B F30 P -","- C252 H80 B4 F120 P4 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0979","0.0668","","","0.1384","0.1542","","","","","","1.0564","","","","has coordinates","285406","2023-08-01","21:59:05",""
"7131966","25.7704","0.0016","13.7621","0.001","23.806","0.0017","90","","90.13","0.0005","90","","8442.9","1","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H86 Br14 O12 -","- C79.944 H85.888 Br13.944 O12 -","- C319.776 H343.552 Br55.776 O48 -","4","1","","Zhao, Bohan; Wang, Jianwei; Shao, Li; Wu, Yitao; Li, Ming; Hua, Bin; Huang, Feihe","Efficient Separation of Monobromotoluene Isomers by Nonporous Adaptive Perbromoethylated Pillar[5]arene Crystals","Chemical Communications","2023","","","","","10.1039/D3CC03676F","","","0.71073","MoKα","","0.1579","0.1014","","","0.2582","0.2943","","","","","","1.035","","","","has coordinates,has disorder","285407","2023-08-01","22:00:36",""
"7131967","17.9381","0.0009","11.1134","0.0007","26.1609","0.0014","90","","90","","90","","5215.3","0.5","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H29 F3 O4 S -","- C29 H29 F3 O4 S -","- C232 H232 F24 O32 S8 -","8","1","","Lu, Lingyi; Wang, Haoran; Huang, Shanshan; Xiong, Biao; Zeng, Xiaobao; Ling, Yong; Qiu, Xiaodong","Photoredox Catalysis in Alkene and Alkyne Alkylsulfonylations: The Construction of Markovnikov Selective α-Sulfones","Chemical Communications","2023","","","","","10.1039/D3CC02740F","","","0.71073","MoKα","","0.1313","0.081","","","0.1432","0.1656","","","","","","1.099","","","","has coordinates,has disorder","285427","2023-08-02","21:54:30",""
"7131968","6.8833","0.0001","6.8833","0.0001","11.34","0.0002","90","","90","","90","","537.287","0.015","150","0.1","150","0.1","","","","","","","","5","I 4/m c m","-I 4 2c","140","La5BaV2N7O3","La5BaV2N7O3","","- Ba La5 N7 O3 V2 -","- Ba La5 N7 O3 V2 -","- Ba2 La10 N14 O6 V4 -","2","0.0625","","Zhang, Shirui; Wang, Xiaoming; Fang, Leiming; Li, Jiachen; Xu, Yingying; Ren, Zihan; Yang, Zupei; Kuang, Xiaojun; Jiao, Huan","BaLa5V2O3N7: A Novel Anti-Perovskite Oxynitride for Electrode Applications","Chemical Communications","2023","","","","","10.1039/D3CC02785F","","x-ray","1.54184","CuKα","","0.0189","0.0189","","","0.0403","0.0403","","","","","","1.258","","","","has coordinates,has disorder","285450","2023-08-04","21:55:14",""
"7131969","7.0067","0.0001","7.0067","0.0001","48.305","0.003","90","","90","","90","","2371.48","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H24 Bi0.67 I6 N4 -","- C8 H24 Bi0.6667 I6 N4 -","- C32 H96 Bi2.6668 I24 N16 -","4","0.5","","Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang","A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02798h","","","0.71073","MoKα","","0.0534","0.052","","","0.1378","0.1386","","","","","","1.085","","","","has coordinates","285451","2023-08-04","21:55:54",""
"7131970","7.135","0.0005","7.135","0.0005","24.284","0.004","90","","90","","90","","1236.3","0.2","420","2","420","2","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C16 Bi1.33 I12 N8 -","- C16 Bi1.3332 I12 N8 -","- C16 Bi1.3332 I12 N8 -","1","0.0625","","Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang","A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02798h","","","1.54184","CuKα","","0.1272","0.0962","","","0.2061","0.2234","","","","","","1.007","","","","has coordinates","285451","2023-08-04","21:55:55",""
"7131971","5.6557","","8.6279","","9.0552","","78.327","","84.1363","","71.0231","","408.892","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Li0.39 O0.42 S10 V4.92 -","- Li0.476 O0.484 S10 V4.92 -","- Li0.476 O0.484 S10 V4.92 -","1","0.5","","Sun, Ruijin; Deng, Jun; Ma, Yuxin; Hao, Munan; Chen, Xu; Meng, Dezhong; Zhao, Changchun; Du, Shixuan; Jin, Shifeng; Chen, Xiaolong","Ferromagnetism induced by in-plane strain in a bulk VS2 based superlattice: (LiOH)0.1VS2","Chemical Communications","2023","","","","","10.1039/D3CC01662E","","x-ray","0.71075","MoKα","","0.132","0.0671","","","0.1544","0.1715","","","","5.4348","5.4348","1.1","","","","has coordinates","285452","2023-08-04","21:56:25",""
"7131972","22.009","0.003","22.009","0.003","22.009","0.003","90","","90","","90","","10661","3","250","2","250","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0511","0.051","","","0.1445","0.1447","","","","","","1.1","","","","has coordinates,has disorder","285564","2023-08-05","21:55:50",""
"7131973","21.828","0.003","21.828","0.003","21.828","0.003","90","","90","","90","","10400","2","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0508","0.0503","","","0.1412","0.1425","","","","","","1.045","","","","has coordinates,has disorder","285564","2023-08-05","21:55:51",""
"7131974","21.957","0.003","21.957","0.003","21.957","0.003","90","","90","","90","","10586","3","280","2","280","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.05","0.0498","","","0.1428","0.1435","","","","","","1.07","","","","has coordinates,has disorder","285564","2023-08-05","21:55:51",""
"7131975","21.6924","0.0005","21.6924","0.0005","21.6924","0.0005","90","","90","","90","","10207.6","0.4","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0372","0.0353","","","0.0912","0.0928","","","","","","1.075","","","","has coordinates,has disorder","285565","2023-08-05","21:58:40",""
"7131976","21.7661","0.0004","21.7661","0.0004","21.7661","0.0004","90","","90","","90","","10312","0.3","400","2","400","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0337","0.0314","","","0.0901","0.092","","","","","","1.055","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131977","21.7604","0.0005","21.7604","0.0005","21.7604","0.0005","90","","90","","90","","10303.9","0.4","370","2","370","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0309","0.029","","","0.0839","0.0856","","","","","","1.057","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131978","21.7017","0.0003","21.7017","0.0003","21.7017","0.0003","90","","90","","90","","10220.7","0.2","325","2","325","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0314","0.0292","","","0.0823","0.0839","","","","","","1.049","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131979","21.7575","0.0003","21.7575","0.0003","21.7575","0.0003","90","","90","","90","","10299.8","0.2","390","2","390","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0311","0.0294","","","0.0831","0.0846","","","","","","1.045","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131980","21.6411","0.0003","21.6411","0.0003","21.6411","0.0003","90","","90","","90","","10135.3","0.2","250","2","250","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0329","0.0315","","","0.0918","0.0931","","","","","","1.036","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131981","21.679","0.0003","21.679","0.0003","21.679","0.0003","90","","90","","90","","10188.7","0.2","290","2","290","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0318","0.0299","","","0.0825","0.0841","","","","","","1.037","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131982","21.6594","0.0003","21.6594","0.0003","21.6594","0.0003","90","","90","","90","","10161.1","0.2","270","2","270","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0313","0.0298","","","0.0822","0.0834","","","","","","1.04","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131983","21.5786","0.0003","21.5786","0.0003","21.5786","0.0003","90","","90","","90","","10047.8","0.2","190","2","190","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B F3.9997 Fe3 N18 O12 -","- C408 H264 B4 F15.9988 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0351","0.0333","","","0.0946","0.0963","","","","","","1.04","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131984","21.5393","0.0004","21.5393","0.0004","21.5393","0.0004","90","","90","","90","","9993","0.3","150","2","150","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0321","0.0316","","","0.0891","0.0896","","","","","","1.074","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131985","21.4991","0.0004","21.4991","0.0004","21.4991","0.0004","90","","90","","90","","9937.1","0.3","110","2","110","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0322","0.0316","","","0.091","0.0914","","","","","","1.054","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131986","21.727","0.003","21.727","0.003","21.727","0.003","90","","90","","90","","10257","2","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0855","0.0837","","","0.2413","0.248","","","","","","1.039","","","","has coordinates,has disorder","285566","2023-08-05","22:03:38",""
"7131987","21.855","0.003","21.855","0.003","21.855","0.003","90","","90","","90","","10439","2","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0492","0.0487","","","0.1382","0.1397","","","","","","1.04","","","","has coordinates,has disorder","285566","2023-08-05","22:03:41",""
"7131988","21.625","0.003","21.625","0.003","21.625","0.003","90","","90","","90","","10113","2","350","2","350","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C103.88 H73.54 B F4 Fe3 N18 O13.88 -","- C103.884 H73.536 B0.9999 F3.9996 Fe3 N18 O13.884 -","- C415.536 H294.144 B3.9996 F15.9984 Fe12 N72 O55.536 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0353","0.0345","","","0.1074","0.1086","","","","","","1.054","","","","has coordinates,has disorder","285566","2023-08-05","22:03:41",""
"7131989","21.611","0.003","21.611","0.003","21.611","0.003","90","","90","","90","","10093","2","320","2","320","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C104.7 H76.8 B F4 Fe3 N18 O14.7 -","- C104.7 H76.8 B0.9999 F3.9996 Fe3 N18 O14.7 -","- C418.8 H307.2 B3.9996 F15.9984 Fe12 N72 O58.8 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72032","synchrotron","","0.0408","0.0402","","","0.1134","0.1143","","","","","","1.058","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131990","21.579","0.003","21.579","0.003","21.579","0.003","90","","90","","90","","10048","2","330","2","330","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C104.59 H76.36 B F4 Fe3 N18 O14.59 -","- C104.592 H76.368 B0.9999 F3.9996 Fe3 N18 O14.592 -","- C418.368 H305.472 B3.9996 F15.9984 Fe12 N72 O58.368 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0321","0.0319","","","0.0926","0.093","","","","","","1.052","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131991","21.827","0.003","21.827","0.003","21.827","0.003","90","","90","","90","","10399","2","200","2","200","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0559","0.0554","","","0.1647","0.166","","","","","","1.076","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131992","21.719","0.003","21.719","0.003","21.719","0.003","90","","90","","90","","10245","2","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0335","0.0329","","","0.0986","0.0994","","","","","","1.036","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131993","21.769","0.003","21.769","0.003","21.769","0.003","90","","90","","90","","10316","2","350","2","350","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0365","0.0353","","","0.1108","0.1128","","","","","","1.053","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131994","21.599","0.003","21.599","0.003","21.599","0.003","90","","90","","90","","10076","2","340","2","340","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C104.29 H75.14 B F4 Fe3 N18 O14.29 -","- C104.286 H75.144 B0.9999 F3.9996 Fe3 N18 O14.286 -","- C417.144 H300.576 B3.9996 F15.9984 Fe12 N72 O57.144 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0327","0.0323","","","0.0959","0.0965","","","","","","1.084","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131995","21.743","0.003","21.743","0.003","21.743","0.003","90","","90","","90","","10279","2","320","2","320","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0323","0.0315","","","0.0977","0.0988","","","","","","1.052","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131996","21.626","0.003","21.626","0.003","21.626","0.003","90","","90","","90","","10114","2","200","2","200","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0312","0.031","","","0.0895","0.0897","","","","","","1.063","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131997","21.692","0.003","21.692","0.003","21.692","0.003","90","","90","","90","","10207","2","360","2","360","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C103.39 H71.55 B F4 Fe3 N18 O13.39 -","- C103.386 H71.544 B0.9999 F3.9996 Fe3 N18 O13.386 -","- C413.544 H286.176 B3.9996 F15.9984 Fe12 N72 O53.544 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0472","0.0455","","","0.1342","0.1373","","","","","","1.048","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131998","21.785","0.003","21.785","0.003","21.785","0.003","90","","90","","90","","10339","2","380","2","380","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B F3.9997 Fe3 N18 O12 -","- C408 H264 B4 F15.9988 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0436","0.0416","","","0.1322","0.1359","","","","","","1.054","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131999","12.9543","0.0006","14.1111","0.0006","17.0692","0.0008","105.704","0.004","106.445","0.004","97.358","0.004","2809.2","0.2","149.95","0.1","149.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C52 H43 B F24 Mn N O5 P2 -","- C52 H43 B F24 Mn N O5 P2 -","- C104 H86 B2 F48 Mn2 N2 O10 P4 -","2","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0492","0.0415","","","0.1045","0.1109","","","","","","1.043","","","","has coordinates,has disorder","285571","2023-08-07","21:55:37",""
"7132000","12.8747","0.0001","14.5162","0.0001","17.7612","0.0002","106.705","0.001","93.665","0.001","98.232","0.001","3127.18","0.05","298","0.2","298","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H51 B F24 N O4 P2 Re -","- C55 H51 B F24 N O4 P2 Re -","- C110 H102 B2 F48 N2 O8 P4 Re2 -","2","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0287","0.0263","","","0.0659","0.0671","","","","","","1.059","","","","has coordinates,has disorder","285571","2023-08-07","21:55:38",""
"7132001","13.0245","0.0006","14.1722","0.0009","17.0849","0.0012","105.823","0.005","106.4","0.005","97.542","0.005","2835.6","0.3","80","2","80","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H43 B F24 Mn N O5 P2 -","- C52 H43 B F24 Mn N O5 P2 -","- C104 H86 B2 F48 Mn2 N2 O10 P4 -","2","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","electron","0.02508","electron","","0.1993","0.1514","","","0.383","0.4084","","","","","","1.028","","","","has coordinates,has disorder","285571","2023-08-07","21:55:38",""
"7132002","19.6838","0.0004","23.8631","0.0006","13.4251","0.0003","90","","90","","90","","6306","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H58 B F24 Mn N O5 P2 -","- C58 H58 B F24 Mn N O5 P2 -","- C232 H232 B4 F96 Mn4 N4 O20 P8 -","4","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0903","0.0766","","","0.2065","0.2295","","","","","","0.897","","","","has coordinates,has disorder","285571","2023-08-07","21:55:38",""
"7132003","12.7481","0.0001","14.4679","0.0002","17.4995","0.0002","107.711","0.001","94.002","0.001","98.751","0.001","3015.63","0.06","110","0.1","110","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H51 B F24 N O4 P2 Re -","- C55 H51 B F24 N O4 P2 Re -","- C110 H102 B2 F48 N2 O8 P4 Re2 -","2","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0414","0.0407","","","0.1056","0.1063","","","","","","1.051","","","","has coordinates,has disorder","285571","2023-08-07","21:55:40",""
"7132004","24.3315","0.0002","10.2609","0.0001","11.2141","0.0001","90","","90","","90","","2799.75","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H39 Br N O4 P2 Re -","- C23 H39 Br N O4 P2 Re -","- C92 H156 Br4 N4 O16 P8 Re4 -","4","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0232","0.0227","","","0.0595","0.0598","","","","","","1.092","","","","has coordinates","285571","2023-08-07","21:55:47",""
"7132005","12.9529","0.0004","14.1717","0.0003","16.8449","0.0005","97.37","0.002","94.209","0.003","96.468","0.002","3034.93","0.15","109.95","0.1","109.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C56 H51 B F24 N O5 P2 Re -","- C56 H51 B F24 N O5 P2 Re -","- C112 H102 B2 F48 N2 O10 P4 Re2 -","2","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0618","0.0535","","","0.1411","0.146","","","","","","1.086","","","","has coordinates","285571","2023-08-07","21:55:50",""
"7132006","16.848","0.004","19.459","0.006","20.879","0.007","91.445","0.012","106.278","0.012","113.063","0.009","5974","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 B20 Cu F10 N4 -","- C36 H30 B20 Cu F10 N4 -","- C144 H120 B80 Cu4 F40 N16 -","4","2","","Peng, Xinyang; Han, Jinxiu; Li, Xialiang; Liu, Guijun; Xu, Yuhan; Peng, Yuxin; Nie, Shuai; Li, Wenzi; Li, Xinrui; Chen, Zhuo; Peng, Haonan; Cao, Rui; Fang, Yu","Electrocatalytic hydrogen evolution media with a copper porphyrin bearing meso-(o-carborane) substituents","Chemical Communications","2023","","","","","10.1039/D3CC03104G","","","0.71073","MoKα","","0.0603","0.0497","","","0.1353","0.1424","","","","","","1.008","","","","has coordinates","285572","2023-08-07","21:57:26",""
"7132007","24.2143","0.0018","6.3478","0.0006","29.627","0.002","90","","108.824","0.008","90","","4310.3","0.6","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H36 Cu F10 N4 Si2 -","- C42 H26 Cu F10 N4 Si2 -","- C168 H104 Cu4 F40 N16 Si8 -","4","0.5","","Peng, Xinyang; Han, Jinxiu; Li, Xialiang; Liu, Guijun; Xu, Yuhan; Peng, Yuxin; Nie, Shuai; Li, Wenzi; Li, Xinrui; Chen, Zhuo; Peng, Haonan; Cao, Rui; Fang, Yu","Electrocatalytic hydrogen evolution media with a copper porphyrin bearing meso-(o-carborane) substituents","Chemical Communications","2023","","","","","10.1039/D3CC03104G","","","0.71073","MoKα","","0.043","0.041","","","0.1206","0.1221","","","","","","1.111","","","","has coordinates,has disorder","285572","2023-08-07","21:57:33",""
"7132008","15.085","0.004","9.9686","0.0017","12.308","0.003","90","","111.988","0.012","90","","1716.2","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H18 Cu F10 N4 -","- C44 H18 Cu F10 N4 -","- C88 H36 Cu2 F20 N8 -","2","0.5","","Peng, Xinyang; Han, Jinxiu; Li, Xialiang; Liu, Guijun; Xu, Yuhan; Peng, Yuxin; Nie, Shuai; Li, Wenzi; Li, Xinrui; Chen, Zhuo; Peng, Haonan; Cao, Rui; Fang, Yu","Electrocatalytic hydrogen evolution media with a copper porphyrin bearing meso-(o-carborane) substituents","Chemical Communications","2023","","","","","10.1039/D3CC03104G","","","0.71073","MoKα","","0.0306","0.029","","","0.0729","0.0738","","","","","","1.107","","","","has coordinates","285572","2023-08-07","21:57:35",""
"7132009","18.011","0.018","19.645","0.019","20.63","0.017","113.52","0.02","94.9","0.02","113.32","0.03","5884","10","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- Fe10.7 H248.4 K12 Na14 O246.5 Ta37.3 -","- Fe10.7 H114 K12 Na14 O226 Ta37.3 -","- Fe10.7 H114 K12 Na14 O226 Ta37.3 -","1","0.5","","Chen, Hanhan; Zhang, Mingyang; Li, Yuyan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Hexameric Polyoxotantalate with Proton Conduction Property","Chemical Communications","2023","","","","","10.1039/D3CC03645F","","","0.71073","MoKα","","0.0358","0.0282","","","0.0595","0.0632","","","","","","1.012","","","","has coordinates,has disorder","285583","2023-08-08","21:54:08",""
"7132010","12.8551","0.0017","15.617","0.002","16.942","0.002","92.822","0.003","103.512","0.004","109.149","0.003","3094.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H75 N11 O29 Zn4 -","- C69 H33 N5 O17 Zn4 -","- C69 H33 N5 O17 Zn4 -","1","0.5","","Li, Hanning; Yang, Yang; Xu, Jing; He, Cheng; Duan, Chunying","Mixed-ligand metal−organic frameworks as effective photocatalyst for selective oxidation reaction","Chemical Communications","2023","","","","","10.1039/D3CC02839A","","","0.71073","MoKα","","0.0716","0.0525","","","0.1629","0.17","","","","","","1.054","","","","has coordinates,has disorder","285599","2023-08-09","21:54:29",""
"7132011","16.7671","0.0007","22.9883","0.0008","16.9632","0.0008","90","","113.73","0.0016","90","","5985.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H89 B4 Br N4 O2 Si2 -","- C56 H89 B4 Br N4 O2 Si2 -","- C224 H356 B16 Br4 N16 O8 Si8 -","4","1","","Zhu, Lizhao; Kinjo, Rei","Insertion of carbon monoxide into an unsymmetrical diborene to form an oxaborirane.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02844e","","x-ray","0.71073","MoKα","","0.1248","0.064","","","0.1063","0.1286","","","","","","1.032","","","","has coordinates,has disorder","285600","2023-08-09","21:55:29",""
"7132012","16.8582","0.0004","22.2789","0.0004","17.7802","0.0005","90","","112.926","0.0009","90","","6150.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H93 B4 Br N3 O P Si2 -","- C58 H93 B4 Br N3 O P Si2 -","- C232 H372 B16 Br4 N12 O4 P4 Si8 -","4","1","","Zhu, Lizhao; Kinjo, Rei","Insertion of carbon monoxide into an unsymmetrical diborene to form an oxaborirane.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02844e","","x-ray","0.71073","MoKα","","0.0763","0.0464","","","0.1033","0.1179","","","","","","1.024","","","","has coordinates","285600","2023-08-09","21:55:30",""
"7132013","18.5558","0.0009","18.6589","0.001","21.0096","0.0011","90","","91.388","0.0014","90","","7272","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H112 B4 Br N5 O Si2 -","- C73 H112 B4 Br N5 O Si2 -","- C292 H448 B16 Br4 N20 O4 Si8 -","4","2","","Zhu, Lizhao; Kinjo, Rei","Insertion of carbon monoxide into an unsymmetrical diborene to form an oxaborirane.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02844e","","x-ray","0.71073","MoKα","","0.1494","0.0641","","","0.0987","0.1215","","","","","","0.98","","","","has coordinates,has disorder","285600","2023-08-09","21:55:30",""
"7132014","21.8379","0.0006","22.3937","0.0006","26.6266","0.0007","80.38","0.002","82.354","0.002","79.212","0.002","12541.4","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H401 Cl2 N11 O191 P4 Ru2 W17 -","- C92.605 H109.489 Cl2 N15.721 O63.5005 P3.887 Ru2 W16.9435 -","- C185.21 H218.978 Cl4 N31.442 O127.001 P7.774 Ru4 W33.887 -","2","1","","Kuramochi, Satoshi; Cameron, Jamie; Fukui, Tomoya; Jones, Kieran D.; Argent, Stephen; Kusaka, Shinpei; Shiraishi, Ryo; Tamaki, Yusuke; Yatsu, Taiki; Shiga, Takuya; Ishitani, Osamu; Oshio, Hiroki; Newton, Graham","Selective Electrochemical CO2 Conversion with a Hybrid Polyoxometalate","Chemical Communications","2023","","","","","10.1039/D3CC02138F","","x-ray","0.71073","MoKα","","0.1185","0.0675","","","0.1518","0.1718","","","","","","0.991","","","","has coordinates,has disorder","285601","2023-08-09","21:56:13",""
"7132015","20.8793","0.0008","5.2883","0.0002","25.9027","0.001","90","","108.685","0.001","90","","2709.33","0.18","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 N2 O4 -","- C33 H34 N2 O4 -","- C132 H136 N8 O16 -","4","0.5","","Niu, Pengbo; Shi, Conghao; Jiao, Jianmin; Xie, Wang; Qiu, Heng; Yang, Zhen; Jiang, Juli; Wang, Leyong","Synthesis of Tröger Base-Based[3]arenes for Efficient Iodine Adsorption","Chemical Communications","2023","","","","","10.1039/D3CC02804F","","","1.34139","GaKα","","0.0685","0.06","","","0.1441","0.1504","","","","","","1.051","","","","has coordinates,has disorder","285626","2023-08-11","21:54:14",""
"7132016","14.5715","0.0015","15.2988","0.0016","27.002","0.003","79.063","0.001","76.509","0.001","82.186","0.002","5720.5","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H110 Cl2 N10 O30 Zr6 -","- C104 H110 Cl2 N10 O30 Zr6 -","- C208 H220 Cl4 N20 O60 Zr12 -","2","1","","Zhao, Xiaoli; Tang, Yue; Wang, Yuxuan; Rong, Xinjing; Wu, Pengyan; Li, Zihan; Cai, Ning; Deng, Xinyi; Wang, Jian","Zirconium Metal-organic Cage Decorated with Squaramides Imparts Dual Activation for Chemical Fixation of CO2 under Mild Conditions","Chemical Communications","2023","","","","","10.1039/D3CC02953K","","","0.71073","MoKα","","0.0784","0.0587","","","0.1667","0.1805","","","","","","1.068","","","","has coordinates","285627","2023-08-11","21:54:44",""
"7132017","7.2401","0.0003","7.9797","0.0003","24.8846","0.0009","90","","95.433","0.004","90","","1431.22","0.1","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 N Ni O9 -","- C10 H19 N Ni O9 -","- C40 H76 N4 Ni4 O36 -","4","1","","Wei, Xiang-Zhu; Liao, Fang-Jie; Xu, Xin; Chen, Ye; Tung, Chen-Ho; Wu, Li-Zhu","In situ assembly of nickel-based ultrathin catalyst film for water oxidation","Chemical Communications","2023","","","","","10.1039/D3CC03110A","","x-ray","0.71073","MoKα","","0.0354","0.0295","","","0.079","0.0818","","","","","","1.05","","","","has coordinates","285788","2023-08-16","21:56:14",""
"7132018","10.4118","0.001","14.7221","0.0014","15.2322","0.0016","96.196","0.004","93.28","0.004","105.849","0.004","2223.8","0.4","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H67 B Fe N2 P2 -","- C48 H67 B Fe N2 P2 -","- C96 H134 B2 Fe2 N4 P4 -","2","1","","Zurakowski, Joseph A.; Drover, Marcus W.","Cooperative Bond Activations by a Tucked-In Iron Complex","Chemical Communications","2023","","","","","10.1039/D3CC03325B","","","0.71073","MoKα","","0.0753","0.0542","","","0.1317","0.1458","","","","","","1.029","","","","has coordinates,has disorder","285789","2023-08-16","21:57:29",""
"7132019","8.3558","0.0012","9.4334","0.0016","16.5656","0.0018","82.946","0.009","82.104","0.009","77.117","0.008","1255.1","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Fe P2 -","- C24 H46 Fe P2 -","- C48 H92 Fe2 P4 -","2","1","","Zurakowski, Joseph A.; Drover, Marcus W.","Cooperative Bond Activations by a Tucked-In Iron Complex","Chemical Communications","2023","","","","","10.1039/D3CC03325B","","","0.71073","MoKα","","0.0369","0.0283","","","0.0657","0.0704","","","","","","1.065","","","","has coordinates","285789","2023-08-16","21:57:29",""
"7132020","18.7645","0.001","8.6734","0.0004","16.7609","0.0009","90","","100.195","0.002","90","","2684.8","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Fe O2 P2 -","- C25 H46 Fe O2 P2 -","- C100 H184 Fe4 O8 P8 -","4","1","","Zurakowski, Joseph A.; Drover, Marcus W.","Cooperative Bond Activations by a Tucked-In Iron Complex","Chemical Communications","2023","","","","","10.1039/D3CC03325B","","","0.71073","MoKα","","0.032","0.0278","","","0.0682","0.0714","","","","","","1.063","","","","has coordinates","285789","2023-08-16","21:57:30",""
"7132021","24.1488","0.0009","9.1691","0.0004","20.0496","0.0006","90","","90","","90","","4439.4","0.3","170","","170","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H46 B F15 Fe N2 P2 -","- C42 H46 B F15 Fe N2 P2 -","- C168 H184 B4 F60 Fe4 N8 P8 -","4","1","","Zurakowski, Joseph A.; Drover, Marcus W.","Cooperative Bond Activations by a Tucked-In Iron Complex","Chemical Communications","2023","","","","","10.1039/D3CC03325B","","","0.71073","MoKα","","0.0434","0.033","","","0.0759","0.0831","","","","","","1.057","","","","has coordinates,has disorder","285789","2023-08-16","21:57:30",""
"7132022","8.4673","0.0003","11.7335","0.0006","28.0005","0.0009","90","","90","","90","","2781.88","0.19","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H0.25 F4 N4 O6 -","- C32 H9 F4 N4 O6 -","- C128 H36 F16 N16 O24 -","4","1","","Ma, Mingfang; Dong, Liuyang; Luo, Bo; Hao, Aiyou; Xing, Pengyao","V-shaped chiral hosts based on π-extended hematoxylin","Chemical Communications","2023","","","","","10.1039/D3CC03631F","","x-ray","1.54184","CuKα","","0.1581","0.141","","","0.3637","0.3817","","","","","","1.53","","","","has coordinates","285790","2023-08-16","21:58:14",""
"7132023","9.076","0.011","11.89","0.02","14.91","0.014","96.7","0.09","98.19","0.09","110.74","0.12","1465","4","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 N2 O P Sn -","- C30 H41 N2 O P Sn -","- C60 H82 N4 O2 P2 Sn2 -","2","1","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","0.71073","MoKα","","0.0438","0.0406","","","0.1014","0.1031","","","","","","1.08","","","","has coordinates","285791","2023-08-16","22:00:16",""
"7132024","11.5863","0.0005","12.5598","0.0006","13.4404","0.0006","99.9","0.003","114.828","0.002","103.138","0.002","1647.63","0.14","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H15 B F15 O5 P Sn -","- C32 H15 B F15 O5 P Sn -","- C64 H30 B2 F30 O10 P2 Sn2 -","2","1","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","1.54178","CuKα","","0.0273","0.0254","","","0.0653","0.0662","","","","","","1.088","","","","has coordinates","285791","2023-08-16","22:00:17",""
"7132025","11.4575","0.0003","15.5646","0.0004","16.0433","0.0005","84.28","0.002","75.467","0.002","86.676","0.001","2754.08","0.14","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H47 B F15 N2 O P Sn -","- C56 H47 B F15 N2 O P Sn -","- C112 H94 B2 F30 N4 O2 P2 Sn2 -","2","1","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","1.54178","CuKα","","0.0326","0.0289","","","0.0705","0.0722","","","","","","1.065","","","","has coordinates","285791","2023-08-16","22:00:17",""
"7132026","13.9857","0.0003","18.817","0.0004","24.5153","0.0006","90","","95.809","0.001","90","","6418.5","0.2","200","","200","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58.6 H56.2 B Cl3.7 F15 N2 O5 P Sn -","- C58.6 H56.2 B Cl3.7 F15 N2 O5 P Sn -","- C234.4 H224.8 B4 Cl14.8 F60 N8 O20 P4 Sn4 -","4","1","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","1.54178","CuKα","","0.065","0.0541","","","0.1443","0.1528","","","","","","1.036","","","","has coordinates,has disorder","285791","2023-08-16","22:00:17",""
"7132027","14.6414","0.0009","15.4756","0.001","17.6749","0.0014","100.891","0.004","108.982","0.004","111.357","0.003","3305.2","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C68.2 H64.2 B F15 N2 O5 P Sn -","- C68.2 H64.2 B F15 N2 O5 P Sn -","- C136.4 H128.4 B2 F30 N4 O10 P2 Sn2 -","2","1","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","1.54178","CuKα","","0.0612","0.056","","","0.1462","0.1498","","","","","","1.078","","","","has coordinates,has disorder","285791","2023-08-16","22:00:17",""
"7132028","15.5036","0.0007","25.6431","0.0012","15.6976","0.0007","90","","91.655","0.002","90","","6238.1","0.5","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H60 B F15 N2 O P Sn -","- C65 H60 B F15 N2 O P Sn -","- C260 H240 B4 F60 N8 O4 P4 Sn4 -","4","1","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","1.54178","CuKα","","0.0317","0.0308","","","0.0809","0.0816","","","","","","1.024","","","","has coordinates,has disorder","285791","2023-08-16","22:00:17",""
"7132029","12.7892","0.0004","21.2487","0.0006","27.5926","0.0009","84.417","0.002","81.544","0.002","89.324","0.002","7381.7","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H73 Al F15 N2 O9 P Sn -","- C68 H73 Al F15 N2 O9 P Sn -","- C272 H292 Al4 F60 N8 O36 P4 Sn4 -","4","2","","Luo, Yong-An; Zhao, Zhao; Chen, Ting; Li, Yanguo; Zhao, Yufen; Stephan, Douglas W.; Wu, Yile","Stannyl phosphaketene as a synthon for phosphorus analogues of β-lactam","Chemical Communications","2023","","","","","10.1039/D3CC03117A","","","1.54178","CuKα","","0.0477","0.0445","","","0.1091","0.1107","","","","","","1.091","","","","has coordinates","285791","2023-08-16","22:00:17",""
"7132030","38.1054","0.0016","23.6556","0.0011","34.533","0.002","90","","113.372","0.002","90","","28574","2","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C254 H394 Al12 Cl2 Co4 N26 O60 -","- C242 H366 Al12 Cl2 Co4 N22 O56 -","- C968 H1464 Al48 Cl8 Co16 N88 O224 -","4","0.5","","Han, Er-Meng; Meng, Ru-Xin; Tian, Yi-Qi; Yan, Jun; Liu, Kaiyu; Liu, Chao","Al12Co4: A Pioneering Heterometallic Aluminum-oxo Cluster with Surface-exposed Co Sites for Oxygen Evolution Reaction","Chemical Communications","2023","","","","","10.1039/D3CC03672C","","x-ray","1.34139","GaKα","","0.1287","0.0744","","","0.1905","0.2217","","","","","","0.996","","","","has coordinates,has disorder","285804","2023-08-17","21:56:44",""
"7132031","16.83","0.002","18.597","0.003","20.79","0.003","110.867","0.007","111.132","0.006","93.254","0.007","5541.8","1.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C224 H330 Al6 N16 O40 -","- C188 H246 Al6 N4 O28 -","- C188 H246 Al6 N4 O28 -","1","0.5","","Han, Er-Meng; Meng, Ru-Xin; Tian, Yi-Qi; Yan, Jun; Liu, Kaiyu; Liu, Chao","Al12Co4: A Pioneering Heterometallic Aluminum-oxo Cluster with Surface-exposed Co Sites for Oxygen Evolution Reaction","Chemical Communications","2023","","","","","10.1039/D3CC03672C","","x-ray","1.34139","GaKα","","0.2899","0.1081","","","0.248","0.3349","","","","","","0.886","","","","has coordinates","285804","2023-08-17","21:56:45",""
"7132032","7.2696","0.0004","19.8223","0.0011","20.351","0.0011","90","","90","","90","","2932.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Cl2 O6 -","- C36 H26 Cl2 O6 -","- C144 H104 Cl8 O24 -","4","1","","Shi, Minglin; Xie, Mo; Wan, Shigang; Zou, Chao; Liu, Yuliang; Zhou, Xinyan; Yang, Peng; Chang, Xiaoyong; Lu, Wei","Circularly polarized chemiluminescence from planarly chiral bis(adamantylidene-1,2-dioxetane)s","Chemical Communications","2023","","","","","10.1039/D3CC03389A","","x-ray","1.54178","CuKα","","0.0287","0.0281","","","0.0728","0.0732","","","","","","1.029","","","","has coordinates","285805","2023-08-17","21:57:19",""
"7132033","7.7841","0.0008","10.3422","0.001","17.0738","0.0017","81.082","0.003","85.679","0.003","89.945","0.003","1354","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl N3 O S -","- C13 H12 Cl N3 O S -","- C52 H48 Cl4 N12 O4 S4 -","4","2","","Malik, Monika; Senatore, Raffaele; Castiglione, Davide; Roller, Alexander; Pace, Vittorio","Highly Chemoselective Homologative Assembly of the α-Substituted Methylsulfinamide Motif from N-Sulfinylamines","Chemical Communications","2023","","","","","10.1039/D3CC03326K","","","0.71073","MoKα","","0.0641","0.0561","","","0.1385","0.1453","","","","","","1.074","","","","has coordinates","285823","2023-08-21","21:54:58",""
"7132034","7.6187","0.0006","12.5488","0.001","13.1109","0.0011","98.304","0.003","106.817","0.003","96.575","0.003","1171.01","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C56 H40 N4 O2 -","2","1","","Ramasamy, Anandhan; Bhargava Reddy, Mandapati; Prabhu, Sakthivel","Electrochemical Reductive Cascade Cyclizations of o-Alkynylated Derivatives for Saturated Amides/Amines","Chemical Communications","2023","","","","","10.1039/D3CC03350C","","","0.71073","MoKα","","0.0764","0.0517","","","0.1543","0.1793","","","","","","0.994","","","","has coordinates","285829","2023-08-22","21:55:47",""
"7132035","8.059","0.009","8.883","0.01","12.824","0.018","99.8","0.04","90.05","0.05","94.96","0.03","901.1","1.9","274","2","274","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl N3 O -","- C21 H17 Cl N3 O -","- C42 H34 Cl2 N6 O2 -","2","1","","Sarkar, Souradip; Biswas, Aniruddha; Das, Sarbojit; Sanyal, Bortika; Sahoo, Rajkumar; Samanta, Rajarshi","Weakly Coordinating tert-Amide Assisted Rh(III)-Catalyzed C4-Cyanation of Indoles: Application in Photophysical Studies","Chemical Communications","2023","","","","","10.1039/D3CC03075J","","","0.71073","MoKα","","0.0653","0.0494","","","0.1319","0.143","","","","","","1.037","","","","has coordinates","285830","2023-08-22","21:56:13",""
"7132036","19.61","0.004","8.3262","0.0017","17.795","0.004","90","","122.76","0.03","90","","2443.4","1.2","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H40 Cl4 N2 Sn -","- C18 H40 Cl4 N2 Sn -","- C72 H160 Cl16 N8 Sn4 -","4","0.5","","Wolf, Silke; Feldmann, Claus","Solvent-free Room-Temperature Synthesis of Brightly Luminescent [BMPyr]2[SnCl4]","Chemical Communications","2023","","","","","10.1039/D3CC03145D","","","0.71073","MoKα","","0.0545","0.0352","","","0.0992","0.1056","","","","","","0.927","","","","has coordinates","285831","2023-08-22","21:56:41",""
"7132037","9.5754","0.0001","16.4083","0.0001","11.8833","0.0001","90","","97.402","0.001","90","","1851.5","0.03","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl2 O Os P2 -","- C44 H36 Cl2 O Os P2 -","- C88 H72 Cl4 O2 Os2 P4 -","2","1","","Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng","Fused Metallacyclopropenes from Alkynylphenols","Chemical Communications","2023","","","","","10.1039/D3CC03084A","","","1.54184","CuKα","","0.0183","0.0181","","","0.0456","0.0457","","","","","","1.086","","","","has coordinates","285832","2023-08-22","21:57:49",""
"7132038","10.9207","0.0002","12.9359","0.0002","30.771","0.0006","90","","90","","90","","4346.99","0.13","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H44 Cl4 O Os P2 -","- C49 H44 Cl4 O Os P2 -","- C196 H176 Cl16 O4 Os4 P8 -","4","1","","Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng","Fused Metallacyclopropenes from Alkynylphenols","Chemical Communications","2023","","","","","10.1039/D3CC03084A","","","0.71073","MoKα","","0.0238","0.0208","","","0.0447","0.0458","","","","","","1.01","","","","has coordinates","285832","2023-08-22","21:57:50",""
"7132039","19.4318","0.0006","10.3039","0.0002","22.3306","0.0006","90","","109.332","0.003","90","","4219","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Cl2 O Os P2 -","- C50 H46 Cl2 O Os P2 -","- C200 H184 Cl8 O4 Os4 P8 -","4","1","","Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng","Fused Metallacyclopropenes from Alkynylphenols","Chemical Communications","2023","","","","","10.1039/D3CC03084A","","","0.71073","MoKα","","0.037","0.0269","","","0.0586","0.0633","","","","","","1.016","","","","has coordinates","285832","2023-08-22","21:57:50",""
"7132040","21.5392","0.0005","13.2966","0.0003","30.5699","0.0008","90","","99.731","0.001","90","","8629.2","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H88 Cl6 O6 Os2 P4 -","- C97 H88 Cl6 O6 Os2 P4 -","- C388 H352 Cl24 O24 Os8 P16 -","4","1","","Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng","Fused Metallacyclopropenes from Alkynylphenols","Chemical Communications","2023","","","","","10.1039/D3CC03084A","","","1.54178","CuKα","","0.0551","0.0534","","","0.1401","0.1426","","","","","","1.083","","","","has coordinates","285832","2023-08-22","21:57:50",""
"7132041","12.7702","0.0003","13.1154","0.0003","24.2746","0.0004","90.203","0.002","90.567","0.002","117.81","0.002","3595.75","0.15","89.9","0.4","89.9","0.4","","","","","","","","8","P -1","-P 1","2","","Cp*Fe(μ3,η5:2:2-P5)Mo2[μ,κ2-PhB(N-2,6-iPr2C6H3)2]2","","- C72 H97 B2 Cl4 Fe Mo2 N4 P5 -","- C72 H97 B2 Cl4 Fe Mo2 N4 P5 -","- C144 H194 B4 Cl8 Fe2 Mo4 N8 P10 -","2","1","","Lee, Meng-Wei; Balazs, Gabor; Reichl, Stephan; Zimmermann, Lisa; Scheer, Manfred; Tsai, Yi-Chou","Cyclo-E5-bridged Trinuclear Triple-decker Complexes (E = P, As) Containing a Triply-bonded Mo2 Unit and Their Isomerisation","Chemical Communications","2023","","","","","10.1039/D3CC03282E","","x-ray","1.54184","CuKα","","0.0423","0.0349","","","0.0912","0.0932","","","","","","1.021","","","","has coordinates","285833","2023-08-22","21:59:14",""
"7132042","23.4267","0.0002","12.7561","0.0001","48.9677","0.0005","90","","93.741","0.001","90","","14602","0.2","123","0.1","123","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Cp*Fe(μ3,η5:2:2-As5)Mo2[μ,κ2-PhB(N-2,6-iPr2C6H3)2]2","","- C75.2 H103.4 As5 B2 Fe Mo2 N4 O1.3 -","- C74 H101 As5 B2 Fe Mo2 N4 O -","- C592 H808 As40 B16 Fe8 Mo16 N32 O8 -","8","1","","Lee, Meng-Wei; Balazs, Gabor; Reichl, Stephan; Zimmermann, Lisa; Scheer, Manfred; Tsai, Yi-Chou","Cyclo-E5-bridged Trinuclear Triple-decker Complexes (E = P, As) Containing a Triply-bonded Mo2 Unit and Their Isomerisation","Chemical Communications","2023","","","","","10.1039/D3CC03282E","","x-ray","1.39222","CuKβ","","0.0467","0.0385","","","0.1002","0.1026","","","","","","0.961","","","","has coordinates","285833","2023-08-22","21:59:15",""
"7132043","11.1538","0.0001","17.6318","0.0002","37.3554","0.0004","90","","90.889","0.001","90","","7345.49","0.13","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Cp*FeMo2[κ2-PhB(N-2,6-iPr2C6H3)2](?3,κ:κ:η2-P2)[?3,κ:κ:η3κ-P3PhB(N-2,6-iPr2C6H3)2]","","- C74 H103 B2 Fe Mo2 N4 O P5 -","- C74 H103 B2 Fe Mo2 N4 O P5 -","- C296 H412 B8 Fe4 Mo8 N16 O4 P20 -","4","1","","Lee, Meng-Wei; Balazs, Gabor; Reichl, Stephan; Zimmermann, Lisa; Scheer, Manfred; Tsai, Yi-Chou","Cyclo-E5-bridged Trinuclear Triple-decker Complexes (E = P, As) Containing a Triply-bonded Mo2 Unit and Their Isomerisation","Chemical Communications","2023","","","","","10.1039/D3CC03282E","","x-ray","1.54184","CuKα","","0.0285","0.0268","","","0.0701","0.071","","","","","","1.019","","","","has coordinates,has disorder","285833","2023-08-22","21:59:15",""
"7132044","5.8734","0.0003","15.4556","0.0007","17.6587","0.0007","90","","90","","90","","1603","0.13","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Hazra, Arijit; Ghosh, Asit; Yadav, Neeraj; Banerjee, Prabal","Organocatalytic (3+3)-cycloaddition of ortho-substituted phenyl nitrones with aryl cyclopropane carbaldehydes: A facile access towards the synthesis of enantioenriched 1,2-oxazinanes","Chemical Communications","2023","","","","","10.1039/D3CC02877A","","x-ray","0.71073","MoKα","","0.0444","0.036","","","0.0859","0.0908","","","","","","1.087","","","","has coordinates","285848","2023-08-23","21:55:52",""
"7132045","8.7856","0.0001","32.093","0.0003","5.2676","0.0001","90","","90","","90","","1485.23","0.04","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","chemical 1'","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Matsuo, Bianca; Kim, Saegun; Shreiber, Scott T.; Levitre, Guillaume; Li, Longbo; Crane, Erika A.; McClain, Edward J.; Voight, Eric A.; Molander, Gary A.","Diversifying chemical space of DNA-encoded libraries: synthesis of 2-oxa-1-azaspiro(bicyclo[3.2.0])heptanes on-DNA <i>via</i> visible light-mediated energy transfer catalysis.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03421f","","x-ray","1.54184","CuKα","","0.0316","0.0302","","","0.0755","0.0771","","","","","","1.05","","","","has coordinates","285849","2023-08-23","21:56:18",""
"7132046","10.9669","0.0003","11.1772","0.0002","19.4756","0.0007","86.67","0.002","85.723","0.002","71.102","0.002","2250.87","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 B4 O8 S4 -","- C40 H56 B4 O8 S4 -","- C80 H112 B8 O16 S8 -","2","1","","Nagase, Mai; Nakano, Sachiko; Segawa, Yasutomo","Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes","Chemical Communications","2023","","","","","10.1039/D3CC03508E","","x-ray","0.71073","MoKα","","0.0947","0.0692","","","0.1534","0.1617","","","","","","1.157","","","","has coordinates","285850","2023-08-23","21:57:04",""
"7132047","12.1542","0.0005","10.6118","0.0003","13.9023","0.0005","90","","107.303","0.004","90","","1711.94","0.11","123","2","123","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H10 S5 -","- C20 H10 S5 -","- C80 H40 S20 -","4","0.5","","Nagase, Mai; Nakano, Sachiko; Segawa, Yasutomo","Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes","Chemical Communications","2023","","","","","10.1039/D3CC03508E","","x-ray","0.71073","MoKα","","0.0358","0.0319","","","0.0805","0.0833","","","","","","1.072","","","","has coordinates","285850","2023-08-23","21:57:04",""
"7132048","13.6292","0.001","12.2216","0.0005","14.3297","0.0012","90","","117.598","0.01","90","","2115.3","0.3","123","2","123","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C24 H12 S6 -","- C24 H12 S6 -","- C96 H48 S24 -","4","0.5","","Nagase, Mai; Nakano, Sachiko; Segawa, Yasutomo","Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes","Chemical Communications","2023","","","","","10.1039/D3CC03508E","","x-ray","0.71073","MoKα","","0.0547","0.0407","","","0.1036","0.1127","","","","","","1.03","","","","has coordinates","285850","2023-08-23","21:57:05",""
"7132049","8.0986","0.0006","8.7121","0.0007","10.8649","0.0008","77.168","0.004","80.358","0.004","70.566","0.004","701.19","0.09","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","dimethylgallium naladixate","","- C14 H17 Ga N2 O3 -","- C14 H17 Ga N2 O3 -","- C28 H34 Ga2 N4 O6 -","2","1","","Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig","Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae","Chemical Communications","2023","","","","","10.1039/D3CC02916F","","","0.71073","MoKα","","0.057","0.0505","","","0.1339","0.1374","","","","","","1.108","","","","has coordinates","285851","2023-08-23","21:58:14",""
"7132050","18.0209","0.0006","13.5163","0.0006","14.3466","0.0006","90","","121.773","0.002","90","","2970.8","0.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylgallium oxolinate","","- C15 H16 Ga N O5 -","- C15 H16 Ga N O5 -","- C120 H128 Ga8 N8 O40 -","8","1","","Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig","Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae","Chemical Communications","2023","","","","","10.1039/D3CC02916F","","","0.71073","MoKα","","0.0447","0.0311","","","0.0703","0.0754","","","","","","1.035","","","","has coordinates","285851","2023-08-23","21:58:16",""
"7132051","8.7432","0.0006","9.9407","0.0008","10.8377","0.0007","94.228","0.004","100.666","0.004","102.337","0.004","897.98","0.11","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","","Dimethylgallium norfloxate","","- C18 H23 F Ga N3 O3 -","- C18 H23 F Ga N3 O3 -","- C36 H46 F2 Ga2 N6 O6 -","2","1","","Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig","Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae","Chemical Communications","2023","","","","","10.1039/D3CC02916F","","","0.71073","MoKα","","0.0427","0.0314","","","0.0713","0.0766","","","","","","1.057","","","","has coordinates","285851","2023-08-23","21:58:16",""
"7132052","9.57906","0.00015","12.08921","0.00018","16.5051","0.0002","79.9703","0.0012","77.8647","0.0013","86.5916","0.0012","1839.56","0.05","122.98","0.1","123.15","","","","","","","","","6","P -1","-P 1","2","","gallium tris-naladixate","","- C38 H39 Ga N6 O10 S -","- C38 H39 Ga N6 O10 S -","- C76 H78 Ga2 N12 O20 S2 -","2","1","","Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig","Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae","Chemical Communications","2023","","","","","10.1039/D3CC02916F","","x-ray","1.54184","CuKα","","0.0477","0.0429","","","0.1142","0.1178","","","","","","1.075","","","","has coordinates","285851","2023-08-23","21:58:16",""
"7132053","11.4074","0.0002","8.1039","0.0002","31.1224","0.0006","90","","90","","90","","2877.09","0.1","120","2","119.9","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-3-(2-(hydroxy(phenyl)methyl)hex-1-en-1-yl)oxazolidin-2-one","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","1","","Khamrai, Aankhi; Ganesh, Venkataraman","Benchtop Nickel-Catalyzed Reductive Coupling of Aldehydes with Alkynes and Ynamides","Chemical Communications","2023","","","","","10.1039/D3CC03322H","","x-ray","0.71073","MoKα","","0.0408","0.0379","","","0.0966","0.0991","","","","","","1.086","","","","has coordinates","285860","2023-08-24","21:55:48",""
"7132054","5.2038","0.0007","13.8139","0.0017","21.853","0.003","90","","90","","90","","1570.9","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Khandelia, Tamanna; Ghosh, Subhendu; Panigrahi, Pritishree; Mandal, Raju; Boruah, Deepjyoti; Patel, Bhisma K.","Photo-induced 1,2-thiohydroxylation of maleimide involving disulfide and singlet oxygen","Chemical Communications","2023","","","","","10.1039/D3CC03296E","","","0.71073","MoKα","","0.1223","0.0594","","","0.1401","0.1804","","","","","","0.895","","","","has coordinates","285861","2023-08-24","21:56:16",""
"7132055","4.7059","0.0007","10.5914","0.0014","8.1537","0.0009","90","","93.137","0.005","90","","405.79","0.09","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C8 H10 N14 O10 -","2","1","","Lei, Caijin; Xiao, Chuan; Tang, Jie; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of fused energetic compounds using the structural modification from local carbonyl to hydroxylamine/hydrazone","Chemical Communications","2023","","","","","10.1039/D3CC03330A","","","0.71073","MoKα","","0.0803","0.0518","","","0.1177","0.1382","","","","","","1.034","","","","has coordinates","285876","2023-08-25","21:58:03",""
"7132056","9.9288","0.0003","13.3404","0.0004","6.9157","0.0002","90","","102.535","0.002","90","","894.18","0.05","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","123","","- C5 H7 N7 O4 -","- C5 H7 N7 O4 -","- C20 H28 N28 O16 -","4","1","","Lei, Caijin; Xiao, Chuan; Tang, Jie; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of fused energetic compounds using the structural modification from local carbonyl to hydroxylamine/hydrazone","Chemical Communications","2023","","","","","10.1039/D3CC03330A","","","1.54178","CuKα","","0.0531","0.0491","","","0.1423","0.1467","","","","","","1.084","","","","has coordinates","285876","2023-08-25","21:58:04",""
"7132057","6.715","0.002","11.775","0.004","10.892","0.004","90","","93.483","0.012","90","","859.6","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N8 O5 -","- C4 H6 N8 O5 -","- C16 H24 N32 O20 -","4","1","","Lei, Caijin; Xiao, Chuan; Tang, Jie; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of fused energetic compounds using the structural modification from local carbonyl to hydroxylamine/hydrazone","Chemical Communications","2023","","","","","10.1039/D3CC03330A","","","0.71073","MoKα","","0.0644","0.0487","","","0.1517","0.1676","","","","","","1.16","","","","has coordinates","285876","2023-08-25","21:58:04",""
"7132058","8.3256","0.0003","18.5591","0.0008","21.9298","0.0008","99.743","0.002","92.001","0.002","94.383","0.002","3325.9","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C140 H117 N8 O12 Pt2 -","- C140 H117 N8 O12 Pt2 -","- C140 H117 N8 O12 Pt2 -","1","0.5","","Zhao, Shunan; Song , Jianfeng; Wong, Keith Man-Chung","Multifunctional Bisalkynylplatinum(II) Bipyridine Complexes with Rodamine-Like Ligands Featuring Near-Infrared Phosphorescence and Delayed Fluorescence","Chemical Communications","2023","","","","","10.1039/D3CC03775D","","","1.54178","CuKα","","0.0623","0.0575","","","0.1494","0.1554","","","","","","1.07","","","","has coordinates,has disorder","285877","2023-08-25","21:59:21",""
"7132059","10.8438","0.0005","15.9016","0.0008","17.1632","0.0008","97.148","0.002","101.302","0.002","103.266","0.003","2779.8","0.2","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C130 H95 F12 N9 O12 Pt2 -","- C130 H95 F12 N9 O12 Pt2 -","- C130 H95 F12 N9 O12 Pt2 -","1","0.5","","Zhao, Shunan; Song , Jianfeng; Wong, Keith Man-Chung","Multifunctional Bisalkynylplatinum(II) Bipyridine Complexes with Rodamine-Like Ligands Featuring Near-Infrared Phosphorescence and Delayed Fluorescence","Chemical Communications","2023","","","","","10.1039/D3CC03775D","","x-ray","1.54178","CuKα","","0.066","0.0584","","","0.1539","0.164","","","","","","1.133","","","","has coordinates,has disorder","285877","2023-08-25","21:59:21",""
"7132060","9.0038","0.0002","14.4319","0.0003","21.8553","0.0005","85.457","0.001","86.564","0.001","81.188","0.001","2794.29","0.11","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H50 Cl2 N4 O6 Pt -","- C63 H50 Cl2 N4 O6 Pt -","- C126 H100 Cl4 N8 O12 Pt2 -","2","1","","Zhao, Shunan; Song , Jianfeng; Wong, Keith Man-Chung","Multifunctional Bisalkynylplatinum(II) Bipyridine Complexes with Rodamine-Like Ligands Featuring Near-Infrared Phosphorescence and Delayed Fluorescence","Chemical Communications","2023","","","","","10.1039/D3CC03775D","","x-ray","1.54178","CuKα","","0.0486","0.045","","","0.1223","0.1271","","","","","","1.137","","","","has coordinates","285877","2023-08-25","21:59:22",""
"7132061","9.4645","0.0004","23.9337","0.0011","19.7003","0.0009","90","","96.227","0.002","90","","4436.2","0.3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","trifluoromethanesulfonate with diphenyl(2-pyrimidyl)phosphine","","- C35 H26 Ag3 F9 N4 O9 P2 S3 -","- C35 H26 Ag3 F9 N4 O9 P2 S3 -","- C140 H104 Ag12 F36 N16 O36 P8 S12 -","4","0.5","","Rogovoy, Maxim; Rakhmanova, Marianna I.; Sadykov, Evgeniy; Carignan, Gia M.; Bagryanskaya, Irina Yu.; Li, Jing; Artem'ev, Alexander","Fast and reversible solvent-vapor-induced 1D to 2D transformation in emissive Ag(I)-organic networks","Chemical Communications","2023","","","","","10.1039/D3CC03540A","","","0.71073","MoKα","","0.0371","0.0291","","","0.0698","0.0766","","","","","","1.032","","","","has coordinates","285884","2023-08-26","21:55:28",""
"7132062","9.121","0.001","14.6228","0.0019","19.074","0.003","80.516","0.006","78.591","0.006","85.057","0.006","2455.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","trifluoromethanesulfonate with diphenyl(2-pyrimidyl)phosphine","","- C39 H32 Ag3 F9 N6 O9 P2 S3 -","- C39 H32 Ag3 F9 N6 O9 P2 S3 -","- C78 H64 Ag6 F18 N12 O18 P4 S6 -","2","1","","Rogovoy, Maxim; Rakhmanova, Marianna I.; Sadykov, Evgeniy; Carignan, Gia M.; Bagryanskaya, Irina Yu.; Li, Jing; Artem'ev, Alexander","Fast and reversible solvent-vapor-induced 1D to 2D transformation in emissive Ag(I)-organic networks","Chemical Communications","2023","","","","","10.1039/D3CC03540A","","","0.71073","MoKα","","0.1366","0.0573","","","0.0913","0.1128","","","","","","1.007","","","","has coordinates","285884","2023-08-26","21:55:29",""
"7132063","14.6245","0.001","11.4172","0.0008","7.6696","0.0005","90","","102.208","0.003","90","","1251.64","0.15","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Singh, Anupamkumar; Chauhan, Shivani Singh; Bhadra, Sukalyan","Catalytic cascade synthesis of cyanohydrin esters via water/O2-induced cyanide transfer from K3Fe(CN)6","Chemical Communications","2023","","","","","10.1039/D3CC02743K","","","0.71073","MoKα","","0.0631","0.0499","","","0.1332","0.1467","","","","","","1.105","","","","has coordinates","285889","2023-08-29","21:55:23",""
"7132064","11.8699","0.0007","15.964","0.0009","16.2858","0.0009","95.146","0.002","105.413","0.002","103.462","0.002","2855.2","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 Cd N2 O11 S4 -","- C60 H40 Cd N2 O11 S4 -","- C120 H80 Cd2 N4 O22 S8 -","2","1","","Zhang, Yu; Xia, Ziwei; Sheng, Liangjun; Tang, Hao; Luo, Xufeng; Li, Xing; Xiao, Xunwen","3D Tetrathiafulvalene-Based Metal−Organic Framework with Intramolecular Charge Transfer for Efficient Near-infrared Photothermal Conversion","Chemical Communications","2023","","","","","10.1039/D3CC03165A","","","0.71073","MoKα","","0.0466","0.0364","","","0.1053","0.1166","","","","","","0.821","","","","has coordinates","285907","2023-08-30","21:56:23",""
"7132065","5.4742","0.0016","15.112","0.004","16.269","0.004","106.279","0.015","92.801","0.016","94.733","0.018","1283.9","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H36 Co N2 O10 S4 -","- C58 H36 Co N2 O10 S4 -","- C58 H36 Co N2 O10 S4 -","1","0.5","","Zhang, Yu; Xia, Ziwei; Sheng, Liangjun; Tang, Hao; Luo, Xufeng; Li, Xing; Xiao, Xunwen","3D Tetrathiafulvalene-Based Metal−Organic Framework with Intramolecular Charge Transfer for Efficient Near-infrared Photothermal Conversion","Chemical Communications","2023","","","","","10.1039/D3CC03165A","","","0.71073","MoKα","","0.1488","0.082","","","0.1973","0.2406","","","","","","1.0608","","","","has coordinates","285907","2023-08-30","21:56:24",""
"7132066","13.8964","0.0003","5.8286","0.0001","14.9634","0.0004","90","","90.679","0.002","90","","1211.9","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F4 N -","- C15 H9 F4 N -","- C60 H36 F16 N4 -","4","1","","Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke","Difluoromethylene Insertion into Fluoroalkyl Copper Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03481J","","x-ray","1.54184","CuKα","","0.0374","0.0345","","","0.0928","0.0955","","","","","","1.053","","","","has coordinates","285908","2023-08-30","21:57:10",""
"7132067","11.2311","0.0005","9.9935","0.0003","13.5768","0.0006","90","","113.826","0.005","90","","1393.97","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F6 N -","- C16 H9 F6 N -","- C64 H36 F24 N4 -","4","1","","Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke","Difluoromethylene Insertion into Fluoroalkyl Copper Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03481J","","","1.54184","CuKα","","0.0433","0.0388","","","0.1046","0.1083","","","","","","1.065","","","","has coordinates","285908","2023-08-30","21:57:11",""
"7132068","22.915","0.0017","5.08","0.0003","27.5806","0.0019","90","","106.035","0.007","90","","3085.7","0.4","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H9 F8 N -","- C17 H9 F8 N -","- C136 H72 F64 N8 -","8","1","","Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke","Difluoromethylene Insertion into Fluoroalkyl Copper Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03481J","","","1.54184","CuKα","","0.0685","0.0526","","","0.1465","0.1598","","","","","","1.042","","","","has coordinates","285908","2023-08-30","21:57:11",""
"7132069","26.095","0.004","9.3443","0.0013","21.347","0.003","90","","125.058","0.002","90","","4260.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Br N2 O5 -","- C22 H22 Br N O6 -","- C176 H176 Br8 N8 O48 -","8","1","","Zhang, Juan; Hao, Wei; Chen, Ying; Wang, Zhen; Yao, Jinzhong; Yao, Weijun","Phosphine catalyzed Rauhut−Currier reaction of γ-alkyl allenoate and trapped by Diels-Alder reaction","Chemical Communications","2023","","","","","10.1039/D3CC03151A","","","0.71073","MoKα","","0.0648","0.0388","","","0.0966","0.1082","","","","","","1.041","","","","has coordinates","285909","2023-08-30","21:57:51",""
"7132070","6.5694","0.0002","20.2409","0.0005","6.5938","0.0002","90","","94.206","0.002","90","","874.42","0.04","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H N7 O8 -","- C3 H N7 O8 -","- C12 H4 N28 O32 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Energetic Performance of Trinitromethyl Nitrotriazole (TNMNT) and Its Energetic Salts†","Chemical Communications","2023","","","","","10.1039/D3CC03909A","","x-ray","1.54184","CuKα","","0.043","0.0382","","","0.1036","0.1071","","","","","","1.069","","","","has coordinates","285910","2023-08-30","21:58:26",""
"7132071","6.46056","0.00013","14.9402","0.0003","9.66552","0.00018","90","","100.019","0.0019","90","","918.71","0.03","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O6 -","- C3 H6 N8 O6 -","- C12 H24 N32 O24 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Energetic Performance of Trinitromethyl Nitrotriazole (TNMNT) and Its Energetic Salts†","Chemical Communications","2023","","","","","10.1039/D3CC03909A","","x-ray","1.54184","CuKα","","0.0371","0.0336","","","0.0895","0.092","","","","","","1.099","","","","has coordinates","285910","2023-08-30","21:58:27",""
"7132072","10.0525","0.0012","16.9015","0.0017","13.739","0.002","90","","109.287","0.016","90","","2203.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl5 P2 Sb -","- C44 H48 Cl5 P2 Sb -","- C88 H96 Cl10 P4 Sb2 -","2","0.5","","Yin, Meijuan; Li, Baihan; Yi, Zishuo; Zhang, Yuchi; Xia, Zhiguo; Xu, Yan","Crystal-glass phase transition enabling reversible fluorescence switching in zero-dimensional antimony halides","Chemical Communications","2023","","","","","10.1039/D3CC03752E","","","0.71073","MoKα","","0.0747","0.0452","","","0.0851","0.1003","","","","","","0.998","","","","has coordinates","285911","2023-08-30","21:59:31",""
"7132073","9.1192","0.0003","15.888","0.0007","13.179","0.0005","90","","102.677","0.001","90","","1862.9","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl5 P2 Sb -","- C38 H36 Cl5 P2 Sb -","- C76 H72 Cl10 P4 Sb2 -","2","0.5","","Yin, Meijuan; Li, Baihan; Yi, Zishuo; Zhang, Yuchi; Xia, Zhiguo; Xu, Yan","Crystal-glass phase transition enabling reversible fluorescence switching in zero-dimensional antimony halides","Chemical Communications","2023","","","","","10.1039/D3CC03752E","","","0.71073","MoKα","","0.0853","0.0818","","","0.1749","0.1766","","","","","","1.059","","","","has coordinates","285911","2023-08-30","21:59:31",""
"7132074","10.4844","0.0004","14.5953","0.0004","15.1518","0.0006","90","","103.552","0.001","90","","2254.02","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl5 P2 Sb -","- C50 H44 Cl5 P2 Sb -","- C100 H88 Cl10 P4 Sb2 -","2","0.5","","Yin, Meijuan; Li, Baihan; Yi, Zishuo; Zhang, Yuchi; Xia, Zhiguo; Xu, Yan","Crystal-glass phase transition enabling reversible fluorescence switching in zero-dimensional antimony halides","Chemical Communications","2023","","","","","10.1039/D3CC03752E","","","0.71073","MoKα","","0.0474","0.0339","","","0.064","0.07","","","","","","1.057","","","","has coordinates","285911","2023-08-30","21:59:31",""
"7132075","10.2312","0.0001","10.2985","0.0001","28.7642","0.0004","91.131","0.001","97.007","0.001","100.233","0.001","2957.62","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cl5 P2 Sb -","- C40 H40 Cl5 P2 Sb -","- C120 H120 Cl15 P6 Sb3 -","3","1.5","","Yin, Meijuan; Li, Baihan; Yi, Zishuo; Zhang, Yuchi; Xia, Zhiguo; Xu, Yan","Crystal-glass phase transition enabling reversible fluorescence switching in zero-dimensional antimony halides","Chemical Communications","2023","","","","","10.1039/D3CC03752E","","","0.71073","MoKα","","0.0345","0.0274","","","0.0594","0.0616","","","","","","1.06","","","","has coordinates","285911","2023-08-30","21:59:31",""
"7132076","6.1673","0.0015","15.976","0.004","16.479","0.004","90","","90","","90","","1623.7","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Wei, Qing-Yi; Zhou, Ze; Yao, Meng-Lian; Liu, Jikai; Wu, Bin; Yang, Jin-Ming","Rhodium(III)-Catalyzed Intermolecular [3+3] Annulation of Benzoxazines with Quinone Compounds: Access to Spiro-Heterocyclic Scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC03609J","","x-ray","1.34139","Synchrotron","GaKα","0.0416","0.0403","","","0.0978","0.0988","","","","","","1.091","","","","has coordinates","285931","2023-08-31","21:58:43",""
"7132077","14.11122","0.00019","11.9027","0.00016","26.9246","0.0004","90","","105.078","0.0014","90","","4366.61","0.11","99.97","0.14","99.97","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O3 -","- C23 H16 Br N O3 -","- C184 H128 Br8 N8 O24 -","8","2","","Wei, Qing-Yi; Zhou, Ze; Yao, Meng-Lian; Liu, Jikai; Wu, Bin; Yang, Jin-Ming","Rhodium(III)-Catalyzed Intermolecular [3+3] Annulation of Benzoxazines with Quinone Compounds: Access to Spiro-Heterocyclic Scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC03609J","","x-ray","1.54184","CuKα","","0.042","0.0364","","","0.09","0.0922","","","","","","1.05","","","","has coordinates","285931","2023-08-31","21:58:44",""
"7132078","6.3811","0.0004","9.416","0.0006","14.1943","0.001","94.158","0.002","102.48","0.002","96.271","0.002","823.65","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F2 N2 O2 S -","- C18 H12 F2 N2 O2 S -","- C36 H24 F4 N4 O4 S2 -","2","1","","Gao, Cheng-Feng; Chen, Yue-Ji; Nie, Jing; Zhang, Fa-Guang; Cheung, Chi Wai; Ma, Jun-An","Synthesis of di/trifluoromethyl cyclopropane-dicarbonitriles via [2 + 1] annulation of fluoro-based diazoethanes with (alkylidene)malononitriles","Chemical Communications","2023","","","","","10.1039/D3CC03897A","","","0.71073","MoKα","","0.0722","0.054","","","0.1466","0.1578","","","","","","1.057","","","","has coordinates","285932","2023-08-31","21:59:50",""
"7132079","17.16","0.002","5.2325","0.0005","20.233","0.002","90","","113.105","0.004","90","","1671","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F2 N2 O3 S -","- C18 H14 F2 N2 O3 S -","- C72 H56 F8 N8 O12 S4 -","4","1","","Gao, Cheng-Feng; Chen, Yue-Ji; Nie, Jing; Zhang, Fa-Guang; Cheung, Chi Wai; Ma, Jun-An","Synthesis of di/trifluoromethyl cyclopropane-dicarbonitriles via [2 + 1] annulation of fluoro-based diazoethanes with (alkylidene)malononitriles","Chemical Communications","2023","","","","","10.1039/D3CC03897A","","","0.71073","MoKα","","0.109","0.0496","","","0.0939","0.1098","","","","","","1.031","","","","has coordinates","285932","2023-08-31","21:59:51",""
"7132080","11.4509","0.0002","11.4766","0.0003","14.0514","0.0003","76.07","0.001","88.994","0.001","82.26","0.001","1775.75","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F2 N2 O2 S -","- C18 H16 F2 N2 O2 S -","- C72 H64 F8 N8 O8 S4 -","4","2","","Gao, Cheng-Feng; Chen, Yue-Ji; Nie, Jing; Zhang, Fa-Guang; Cheung, Chi Wai; Ma, Jun-An","Synthesis of di/trifluoromethyl cyclopropane-dicarbonitriles via [2 + 1] annulation of fluoro-based diazoethanes with (alkylidene)malononitriles","Chemical Communications","2023","","","","","10.1039/D3CC03897A","","","1.54178","CuKα","","0.0806","0.0762","","","0.1938","0.2037","","","","","","1.078","","","","has coordinates","285932","2023-08-31","21:59:51",""
"7132081","8.4191","0.0009","12.5633","0.001","12.8164","0.0012","90","","107.388","0.01","90","","1293.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F6 N2 -","- C13 H6 F6 N2 -","- C52 H24 F24 N8 -","4","1","","Gao, Cheng-Feng; Chen, Yue-Ji; Nie, Jing; Zhang, Fa-Guang; Cheung, Chi Wai; Ma, Jun-An","Synthesis of di/trifluoromethyl cyclopropane-dicarbonitriles via [2 + 1] annulation of fluoro-based diazoethanes with (alkylidene)malononitriles","Chemical Communications","2023","","","","","10.1039/D3CC03897A","","x-ray","0.71073","MoKα","","0.0831","0.0693","","","0.215","0.2259","","","","","","1.066","","","","has coordinates","285932","2023-08-31","21:59:51",""
"7132082","12.579","0.0003","13.6219","0.0003","11.7844","0.0002","90","","104.869","0.002","90","","1951.64","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Zhang, Mengying; He, Yuhao; Li, Song; Geng, Yuehua; Liu, Xiangyang; Yang, Xifa","Synthesis of Spiropyrans and Arylquinones via Ru(II)-Catalyzed Conditions-Controlled Coupling of 3-Aryl-2H-benzoxazinones with Benzoquinones","Chemical Communications","2023","","","","","10.1039/D3CC03395C","","x-ray","1.54184","CuKα","","0.0599","0.0485","","","0.1215","0.1338","","","","","","1.041","","","","has coordinates","285933","2023-08-31","22:00:30",""
"7132083","10.1158","0.0003","10.3844","0.0003","19.5215","0.0005","90","","94.317","0.002","90","","2044.85","0.1","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F Ge -","- C26 H21 F Ge -","- C104 H84 F4 Ge4 -","4","1","","Bołt, Małgorzata; Mermela, Aleksandra; Żak, Patrycja","Highly selective α-hydrogermylation of alkynes catalyzed by an in-situ generated bulky NHC–cobalt complex","Chemical Communications","2023","","","","","10.1039/D3CC03404F","","x-ray","0.71073","MoKα","","0.0633","0.0436","","","0.0839","0.0926","","","","","","1.057","","","","has coordinates","285934","2023-08-31","22:00:57",""
"7132084","16.5447","0.0014","18.7892","0.0016","23.3659","0.0019","82.92","0.004","83.513","0.004","77.185","0.004","7001.1","1","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H74 N2 O4 -","- C83.0035 H74.004 N2 O4 -","- C332.014 H296.016 N8 O16 -","4","2","","Soldner, Simon; Anhalt, Olga; Sárosi, Menyhárt B.; Stolte, Matthias; Wuerthner, Frank","Donor-acceptor complex formation by social self-sorting of polycyclic aromatic hydrocarbons and perylene bisimides","Chemical Communications","2023","","","","","10.1039/D3CC03704E","","","1.54178","CuKα","","0.101","0.0855","","","0.2111","0.2196","","","","","","1.077","","","","has coordinates,has disorder","285935","2023-08-31","22:02:55",""
"7132085","19.1429","0.0012","12.7014","0.0008","19.3268","0.0013","90","","101.922","0.002","90","","4597.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C130 H106 N2 O4 -","- C130 H106 N2 O4 -","- C260 H212 N4 O8 -","2","0.5","","Soldner, Simon; Anhalt, Olga; Sárosi, Menyhárt B.; Stolte, Matthias; Wuerthner, Frank","Donor-acceptor complex formation by social self-sorting of polycyclic aromatic hydrocarbons and perylene bisimides","Chemical Communications","2023","","","","","10.1039/D3CC03704E","","","1.54178","CuKα","","0.0389","0.0363","","","0.0969","0.0994","","","","","","1.028","","","","has coordinates,has disorder","285935","2023-08-31","22:02:56",""
"7132086","13.0958","0.0019","22.198","0.003","27.902","0.003","90","","90","","90","","8111.1","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C112 H90 N2 O4 -","- C112 H90 N2 O4 -","- C448 H360 N8 O16 -","4","1","","Soldner, Simon; Anhalt, Olga; Sárosi, Menyhárt B.; Stolte, Matthias; Wuerthner, Frank","Donor-acceptor complex formation by social self-sorting of polycyclic aromatic hydrocarbons and perylene bisimides","Chemical Communications","2023","","","","","10.1039/D3CC03704E","","","1.54178","CuKα","","0.0372","0.0356","","","0.0975","0.099","","","","","","1.048","","","","has coordinates,has disorder","285935","2023-08-31","22:02:56",""
"7132087","16.7684","0.0006","28.0025","0.0011","29.4188","0.001","79.52","0.002","87.831","0.002","73.246","0.002","13005.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.13 H82.54 N2 O4.13 -","- C84.1343 H82.537 N2 O4.13425 -","- C673.074 H660.296 N16 O33.074 -","8","4","","Soldner, Simon; Anhalt, Olga; Sárosi, Menyhárt B.; Stolte, Matthias; Wuerthner, Frank","Donor-acceptor complex formation by social self-sorting of polycyclic aromatic hydrocarbons and perylene bisimides","Chemical Communications","2023","","","","","10.1039/D3CC03704E","","","1.54178","CuKα","","0.0891","0.0618","","","0.141","0.1548","","","","","","1.028","","","","has coordinates,has disorder","285935","2023-08-31","22:02:57",""
"7132088","9.5583","0.0019","9.955","0.002","17.258","0.004","97.09","0.03","99.3","0.03","116.2","0.03","1418.4","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H45 N3 -","- C31 H45 N3 -","- C62 H90 N6 -","2","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.0892","0.0509","","","0.1213","0.1395","","","","","","1.027","","","","has coordinates","285954","2023-09-01","21:58:04",""
"7132089","10.953","0.002","16.805","0.003","18.971","0.004","90","","106.36","0.03","90","","3350.5","1.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 F3 N3 O3 S -","- C31.999 H45 F2.997 N3 O2.997 S0.999 -","- C127.996 H180 F11.988 N12 O11.988 S3.996 -","4","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.0884","0.0652","","","0.1637","0.1805","","","","","","1.029","","","","has coordinates,has disorder","285954","2023-09-01","21:58:05",""
"7132090","10.2","0.002","12.537","0.003","15.057","0.003","93.09","0.03","101.6","0.03","112.8","0.03","1720.1","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H44 B N -","- C37 H44 B N -","- C74 H88 B2 N2 -","2","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.1329","0.0648","","","0.1801","0.2187","","","","","","1.021","","","","has coordinates,has disorder","285954","2023-09-01","21:58:05",""
"7132091","10.314","0.002","13.131","0.003","13.121","0.003","90","","105.78","0.03","90","","1710","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N2 -","- C40 H50 N2 -","- C80 H100 N4 -","2","0.5","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.0747","0.0448","","","0.1075","0.1242","","","","","","1.027","","","","has coordinates,has disorder","285954","2023-09-01","21:58:05",""
"7132092","9.4326","0.0019","11.413","0.002","18.825","0.004","79.77","0.03","82.21","0.03","76.6","0.03","1930.6","0.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 F6 N3 O6 S2 -","- C32.999 H45 F5.997 N3 O5.997 S1.999 -","- C65.998 H90 F11.994 N6 O11.994 S3.998 -","2","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.1372","0.0715","","","0.1858","0.2249","","","","","","1.032","","","","has coordinates,has disorder","285954","2023-09-01","21:58:06",""
"7132093","7.2659","0.0007","10.231","0.002","24.4748","0.0015","91.557","0.013","97.622","0.007","90.17","0.013","1802.6","0.4","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 Br N -","- C19 H22 Br N -","- C76 H88 Br4 N4 -","4","2","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.0624","0.04","","","0.0918","0.1016","","","","","","1.019","","","","has coordinates","285954","2023-09-01","21:58:06",""
"7132094","27.406","0.004","27.406","0.004","11.871","0.002","90","","90","","90","","8916","2","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C39 H47 B F3 N O3 S -","- C39 H47 B F3 N O3 S -","- C312 H376 B8 F24 N8 O24 S8 -","8","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.1188","0.0536","","","0.1242","0.1499","","","","","","0.978","","","","has coordinates,has disorder","285954","2023-09-01","21:58:06",""
"7132095","18.0325","0.0001","14.8934","0.0001","32.4245","0.0001","90","","90","","90","","8708.09","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C49 H66 B N3 -","- C49 H66 B N3 -","- C392 H528 B8 N24 -","8","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","1.54184","CuKα","","0.0429","0.0412","","","0.1072","0.1087","","","","","","1.017","","","","has coordinates","285954","2023-09-01","21:58:06",""
"7132096","29.043","0.003","14.0514","0.0012","20.8239","0.0017","90","","133.661","0.002","90","","6147.9","1","297","2","297","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H50 Cl6 F4 I2 N4 -","- C61 H50 Cl6 F4 I2 N4 -","- C244 H200 Cl24 F16 I8 N16 -","4","0.5","","Liu, Chuan-Zhi; Wang, Jingjing; Yang, Bo; Li, Zhongyi; Yan, Meng; Liu, Xinming; Hu, Zhiyuan; Liu, Lantao; Li, Zhan-Ting","Two and Three-Dimensional Halogen-Bonded Frameworks: Self-assembly Influenced by Crystallization Solvents","Chemical Communications","2023","","","","","10.1039/D3CC02981F","","","0.71073","MoKα","","0.1424","0.1065","","","0.2425","0.2587","","","","","","1.11","","","","has coordinates","285991","2023-09-04","21:56:25",""
"7132097","21.037","0.005","21.037","0.005","14.026","0.004","90","","90","","90","","6207","3","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C57 H52 Cl12 N4 -","- C57 H52 Cl12 N4 -","- C228 H208 Cl48 N16 -","4","0.25","","Liu, Chuan-Zhi; Wang, Jingjing; Yang, Bo; Li, Zhongyi; Yan, Meng; Liu, Xinming; Hu, Zhiyuan; Liu, Lantao; Li, Zhan-Ting","Two and Three-Dimensional Halogen-Bonded Frameworks: Self-assembly Influenced by Crystallization Solvents","Chemical Communications","2023","","","","","10.1039/D3CC02981F","","","0.71073","MoKα","","0.1792","0.135","","","0.2597","0.275","","","","","","1.092","","","","has coordinates","285991","2023-09-04","21:56:26",""
"7132098","13.123","0.004","43.843","0.014","13.393","0.004","90","","114.914","0.005","90","","6989","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Cl3 F8 I4 N4 -","- C66 H48 Cl3 F8 I4 N4 -","- C264 H192 Cl12 F32 I16 N16 -","4","0.5","","Liu, Chuan-Zhi; Wang, Jingjing; Yang, Bo; Li, Zhongyi; Yan, Meng; Liu, Xinming; Hu, Zhiyuan; Liu, Lantao; Li, Zhan-Ting","Two and Three-Dimensional Halogen-Bonded Frameworks: Self-assembly Influenced by Crystallization Solvents","Chemical Communications","2023","","","","","10.1039/D3CC02981F","","","0.71073","MoKα","","0.0585","0.0442","","","0.1327","0.1422","","","","","","1.058","","","","has coordinates","285991","2023-09-04","21:56:27",""
"7132099","8.5861","0.0003","33.4748","0.0013","10.7145","0.0004","90","","106.981","0.001","90","","2945.28","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 B14 Ti2 -","- C20 H48 B14 Ti2 -","- C80 H192 B56 Ti8 -","4","1","","Kar, Sourav; Bairagi, Subhash; Halet, Jean-François; Ghosh, Sundargopal","16-vertex Oblato-Hypho-Titanaborane [(Cp*Ti)2B14H18]","Chemical Communications","2023","","","","","10.1039/D3CC03952H","","","0.71073","MoKα","","0.0904","0.0726","","","0.1632","0.1738","","","","","","1.188","","","","has coordinates","285993","2023-09-04","21:57:28",""
"7132100","16.8466","0.0003","16.8466","0.0003","8.9685","0.0003","90","","90","","90","","2545.33","0.11","297","2","297","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C40 H60 Cl4 O4 Ti4 -","- C40 H60 Cl4 O4 Ti4 -","- C80 H120 Cl8 O8 Ti8 -","2","0.125","","Kar, Sourav; Bairagi, Subhash; Halet, Jean-François; Ghosh, Sundargopal","16-vertex Oblato-Hypho-Titanaborane [(Cp*Ti)2B14H18]","Chemical Communications","2023","","","","","10.1039/D3CC03952H","","","1.54178","CuKα","","0.0485","0.0462","","","0.1269","0.1296","","","","","","1.107","","","","has coordinates","285993","2023-09-04","21:57:28",""
"7132101","10.4697","0.0007","15.0305","0.0011","20.0992","0.0015","90","","103.344","0.004","90","","3077.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H50 B14 Ti2 -","- C21 H50 B14 Ti2 -","- C84 H200 B56 Ti8 -","4","1","","Kar, Sourav; Bairagi, Subhash; Halet, Jean-François; Ghosh, Sundargopal","16-vertex Oblato-Hypho-Titanaborane [(Cp*Ti)2B14H18]","Chemical Communications","2023","","","","","10.1039/D3CC03952H","","","1.54178","CuKα","","0.1216","0.0645","","","0.1717","0.2229","","","","","","1.014","","","","has coordinates","285993","2023-09-04","21:57:28",""
"7132102","32.257","0.005","6.2874","0.0005","17.439","0.002","90","","103.904","0.014","90","","3433.2","0.7","179.99","0.1","179.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3n","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C168 H128 N32 O8 -","8","1","","Fang, Songlin; Zhong, Kaihui; Zeng, Shaogao; Hu, Xinwei; Sun, Ping-Hua; Ruan, Zhixiong","The Electrochemically Enabled α-C(sp3)–H Azolation of Ketones","Chemical Communications","2023","","","","","10.1039/D3CC02852F","","x-ray","1.54184","CuKα","","0.0947","0.0555","","","0.135","0.1543","","","","","","1.105","","","","has coordinates","286202","2023-09-05","21:55:33",""
"7132103","12.672","0.0009","11.9871","0.0007","9.0695","0.0008","90","","110.184","0.009","90","","1293.06","0.18","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C60 H48 N16 O4 -","4","1","","Fang, Songlin; Zhong, Kaihui; Zeng, Shaogao; Hu, Xinwei; Sun, Ping-Hua; Ruan, Zhixiong","The Electrochemically Enabled α-C(sp3)–H Azolation of Ketones","Chemical Communications","2023","","","","","10.1039/D3CC02852F","","x-ray","0.71073","MoKα","","0.0608","0.0433","","","0.0926","0.103","","","","","","1.031","","","","has coordinates","286202","2023-09-05","21:55:34",""
"7132104","17.9676","0.0018","10.3052","0.0009","24.087","0.002","90","","114.23","0.012","90","","4067","0.7","292.9","0.1","292.9","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C176 H176 O56 -","8","1","","Wang, Yi-Lin; Lei, Xin-Xin; Jin, Xin-Chen; Zhang, Xin-Yu; Xu, Peng-Fei; Luo, Yong-Chun","Sc(OTf)<sub>3</sub> catalyzed intramolecular single-electron transfer of 2-alkyl-1,4-benzoquinones: synthesis of 6-chromanols from donor-acceptor cyclopropanes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02988c","","x-ray","0.71073","MoKα","","0.1067","0.0626","","","0.1291","0.1511","","","","","","1.096","","","","has coordinates","286203","2023-09-05","21:56:22",""
"7132105","16.4049","0.0003","8.66607","0.00017","26.3242","0.0006","90","","100.968","0.002","90","","3674.05","0.13","293.29","0.1","293.29","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C160 H160 O48 -","8","1","","Wang, Yi-Lin; Lei, Xin-Xin; Jin, Xin-Chen; Zhang, Xin-Yu; Xu, Peng-Fei; Luo, Yong-Chun","Sc(OTf)<sub>3</sub> catalyzed intramolecular single-electron transfer of 2-alkyl-1,4-benzoquinones: synthesis of 6-chromanols from donor-acceptor cyclopropanes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02988c","","x-ray","1.54184","CuKα","","0.0558","0.0495","","","0.1335","0.1393","","","","","","1.061","","","","has coordinates","286203","2023-09-05","21:56:22",""
"7132106","17.0449","0.0002","7.7705","0.0001","27.9991","0.0003","90","","98.642","0.001","90","","3666.3","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","","Wang, Yi-Lin; Lei, Xin-Xin; Jin, Xin-Chen; Zhang, Xin-Yu; Xu, Peng-Fei; Luo, Yong-Chun","Sc(OTf)<sub>3</sub> catalyzed intramolecular single-electron transfer of 2-alkyl-1,4-benzoquinones: synthesis of 6-chromanols from donor-acceptor cyclopropanes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02988c","","x-ray","1.54184","CuKα","","0.0411","0.0403","","","0.099","0.0996","","","","","","1.085","","","","has coordinates","286203","2023-09-05","21:56:22",""
"7132107","9.1433","0.0003","11.2038","0.0004","17.4935","0.0007","87.493","0.003","81.937","0.003","70.116","0.003","1668.52","0.11","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 N O6 S -","- C41 H35 N O6 S -","- C82 H70 N2 O12 S2 -","2","1","","Zhu, Yannan; Xu, Zhili; Wang, Yi-Ning","Phosphine-catalyzed [5+1] annulation of β′-acetoxy allenoates: A straightforward access to tetrahydroquinoline derivatives","Chemical Communications","2023","","","","","10.1039/D3CC03413E","","","0.71073","MoKα","","0.052","0.0434","","","0.1098","0.1164","","","","","","1.046","","","","has coordinates","286204","2023-09-05","21:56:54",""
"7132108","8.883","0.004","16.016","0.006","20.51","0.008","90","","100.264","0.011","90","","2871","2","80","","80","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H45 Fe N4.5 Si4 -","- C16 H45 Fe N4.502 Si4 -","- C64 H180 Fe4 N18.008 Si16 -","4","1","","Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","A low-coordinate iron organoazide complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03765g","","","0.71073","MoKα","","0.1289","0.0694","","","0.1597","0.1807","","","","","","1.029","","","","has coordinates,has disorder","286247","2023-09-06","21:56:16",""
"7132109","8.7622","0.0002","16.0342","0.0007","20.4887","0.0007","90","","101.245","0.001","90","","2823.3","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H45 Fe N5 Si4 -","- C16 H45 Fe N5 Si4 -","- C64 H180 Fe4 N20 Si16 -","4","1","","Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","A low-coordinate iron organoazide complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03765g","","","0.71073","MoKα","","0.0483","0.0328","","","0.0798","0.0835","","","","","","1.085","","","","has coordinates","286247","2023-09-06","21:56:17",""
"7132110","9.3458","0.0004","19.522","0.0007","15.2414","0.0007","90","","106.253","0.002","90","","2669.64","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H45 Fe N3 Si4 -","- C16 H45 Fe N3 Si4 -","- C64 H180 Fe4 N12 Si16 -","4","1","","Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","A low-coordinate iron organoazide complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03765g","","","0.71073","MoKα","","0.0592","0.0424","","","0.1086","0.1139","","","","","","1.131","","","","has coordinates,has disorder","286247","2023-09-06","21:56:17",""
"7132111","8.7573","0.0005","16.0324","0.0007","20.4625","0.0011","90","","101.169","0.002","90","","2818.5","0.3","80","","80","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H45 Fe N5 Si4 -","- C16 H45 Fe N5 Si4 -","- C64 H180 Fe4 N20 Si16 -","4","1","","Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","A low-coordinate iron organoazide complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03765g","","","0.71073","MoKα","","0.0458","0.0314","","","0.0673","0.0698","","","","","","1.075","","","","has coordinates","286247","2023-09-06","21:56:17",""
"7132112","8.8341","0.0017","15.935","0.003","20.441","0.004","90","","100.299","0.006","90","","2831.1","0.9","80","","80","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H45 Fe N4.31 Si4 -","- C16 H45 Fe N4.308 Si4 -","- C64 H180 Fe4 N17.232 Si16 -","4","1","","Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","A low-coordinate iron organoazide complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03765g","","","0.71073","MoKα","","0.1301","0.0821","","","0.2032","0.2175","","","","","","1.1","","","","has coordinates,has disorder","286247","2023-09-06","21:56:17",""
"7132113","9.2649","0.0004","14.9686","0.0006","27.644","0.0011","90","","93.938","0.002","90","","3824.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H63 Fe2 K N4 Si6 -","- C22 H63 Fe2 K N4 Si6 -","- C88 H252 Fe8 K4 N16 Si24 -","4","1","","Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar","A low-coordinate iron organoazide complex.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03765g","","","0.71073","MoKα","","0.0329","0.0284","","","0.0632","0.0648","","","","","","1.101","","","","has coordinates","286247","2023-09-06","21:56:17",""
"7132114","15.0698","0.0006","17.9944","0.0004","5.03671","0.00008","90","","90","","90","","1365.81","0.07","298","","298","","","","","","","","","3","P 21 21 2","P 2 2ab","18","GAM-3","","","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","1","0.25","","Komura, Kenichi; Ikeda, Takuji; imai, edo; oka, kazuma","Two-dimensional microporous GAM-6 formed by the interzeolite conversion of CoAPO-5","Chemical Communications","2023","","","","","10.1039/D3CC02314A","powder diffraction","","1.54059","CuKα~1~","","0.00938","","","","","","0.0091","0.01668","2.4079","","","","","","","has coordinates","286248","2023-09-06","21:56:56",""
"7132115","12.1162","0.0002","9.544","0.0002","22.0199","0.0005","90","","99.289","0.001","90","","2512.92","0.09","298","","298","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H30 Br6 N2 Pb2 -","- C12 H30 Br6 N2 Pb2 -","- C48 H120 Br24 N8 Pb8 -","4","1","","He, Biqi; Kuang, Kuan; Xu, Bing; Tang, Junjie; Cao, Sheng; Yu, Zixian; Li, Mingkai; He, Yunbin; Chen, Junnian","Broadband red emission from one-dimensional hexamethonium lead bromide perovskitoid","Chemical Communications","2023","","","","","10.1039/D3CC03477A","","","0.71073","MoKα","","0.0927","0.0577","","","0.1285","0.1507","","","","","","1.061","","","","has coordinates","286262","2023-09-07","21:55:43",""
"7132116","9.91785","0.00006","9.91785","0.00006","15.71517","0.00009","90","","90","","90","","1545.8","0.016","","","300","","","","100","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8 H8 F4 N4 Ni O6.129 W -","- C8 H8 F4 N4 Ni O6.1286 W -","- C32 H32 F16 N16 Ni4 O24.5144 W4 -","4","0.125","","O'Nolan, Daniel; Chatterton, Lindsey; Bellamy, Timothy; Ennis, J. Todd; Soukri, Mustapha","Enhanced CO<sub>2</sub> sorption properties in a polarizable [WO<sub>2</sub>F<sub>4</sub>]<sup>2-</sup>-pillared physisorbent under direct air capture conditions.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02749j","powder diffraction","x-ray","1.54051","Kα~1,2~","","","","","","0.10616","","0.12662","","16.026","","","","","","","has coordinates","286263","2023-09-07","21:56:16",""
"7132117","8.5723","0.0002","10.1918","0.0003","10.7219","0.0003","91.77","0.002","98.537","0.002","96.489","0.002","919.34","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C42 H36 Br2 N2 O8 -","2","1","","Liu, Rai-Shung; Kshirsagar, Akshay Suresh; More, Sayaji Arjun","Stereo- and Regiocontrol in Intermolecular [2+2] Cycloadditions between Diarylketenes and Allenamides to Access Substituted α-Methylenecyclobutanones.","Chemical Communications","2023","","","","","10.1039/D3CC03979J","","x-ray","1.54184","CuKα","","0.0344","0.0296","","","0.0722","0.0743","","","","","","1.063","","","","has coordinates","286303","2023-09-12","21:55:14",""
"7132118","8.86145","0.0001","18.8062","0.0002","19.06566","0.00019","90","","90","","90","","3177.3","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Liu, Rai-Shung; Kshirsagar, Akshay Suresh; More, Sayaji Arjun","Stereo- and Regiocontrol in Intermolecular [2+2] Cycloadditions between Diarylketenes and Allenamides to Access Substituted α-Methylenecyclobutanones.","Chemical Communications","2023","","","","","10.1039/D3CC03979J","","x-ray","1.54184","CuKα","","0.034","0.0325","","","0.0784","0.0793","","","","","","1.039","","","","has coordinates","286303","2023-09-12","21:55:14",""
"7132119","7.73568","0.00018","12.347","0.0003","14.4133","0.0003","69.991","0.002","83.0268","0.0019","79.978","0.002","1270.97","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N O4 S -","- C29 H31 N O4 S -","- C58 H62 N2 O8 S2 -","2","1","","Liu, Rai-Shung; Kshirsagar, Akshay Suresh; More, Sayaji Arjun","Stereo- and Regiocontrol in Intermolecular [2+2] Cycloadditions between Diarylketenes and Allenamides to Access Substituted α-Methylenecyclobutanones.","Chemical Communications","2023","","","","","10.1039/D3CC03979J","","x-ray","1.54184","CuKα","","0.0606","0.056","","","0.149","0.1523","","","","","","1.054","","","","has coordinates","286303","2023-09-12","21:55:14",""
"7132120","9.0167","0.0003","11.7335","0.0004","8.0325","0.0002","90","","104.733","0.003","90","","821.88","0.05","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H16 Cl N O3 -","- C20 H16 Cl N O3 -","- C40 H32 Cl2 N2 O6 -","2","1","","Liu, Rai-Shung; Kshirsagar, Akshay Suresh; More, Sayaji Arjun","Stereo- and Regiocontrol in Intermolecular [2+2] Cycloadditions between Diarylketenes and Allenamides to Access Substituted α-Methylenecyclobutanones.","Chemical Communications","2023","","","","","10.1039/D3CC03979J","","x-ray","1.54184","CuKα","","0.0422","0.0408","","","0.103","0.1038","","","","","","1.094","","","","has coordinates","286303","2023-09-12","21:55:15",""
"7132121","13.6213","0.0005","17.5686","0.0006","17.6681","0.0005","90","","111.582","0.001","90","","3931.7","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H96 N6 Ni2 O6 P2 S4 -","- C81 H96 N6 Ni2 O6 P2 S4 -","- C162 H192 N12 Ni4 O12 P4 S8 -","2","0.5","","Buß, Florenz; Das, Mowpriya; Janssen-Mueller, Daniel; Sietmann, Alexander; Das, Ankita; Wilm, Lukas F. B.; Freitag, Matthias; Seidl, Michael; Glorius, Frank; Dielmann, Fabian","Photoswitchable Electron-rich Phosphines: Using Light to Modulate the Electron-Donating Ability of Phosphines","Chemical Communications","2023","","","","","10.1039/D3CC04050J","","","0.71073","MoKα","","0.0424","0.0335","","","0.0862","0.0927","","","","","","1.038","","","","has coordinates,has disorder","286304","2023-09-12","21:56:03",""
"7132122","11.1127","0.0004","26.6626","0.0009","11.445","0.0004","90","","98.835","0.003","90","","3350.8","0.2","100","0.11","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H45 Au B10 N2 O2 -","- C29 H45 Au B10 N2 O2 -","- C116 H180 Au4 B40 N8 O8 -","4","1","","Powley, Samuel L.; Riley, Charlotte; Cho, Hwan-Hee; Phuoc, Nguyen Le; Greenham, N. C.; Linnolahti, Mikko; Romanov, Alexander S.","Highly phosphorescent Carbene-Metal-Carboranyl complexes of Copper(I) and Gold(I)","Chemical Communications","2023","","","","","10.1039/D3CC04091G","","x-ray","0.71073","MoKα","","0.0354","0.0249","","","0.0466","0.0487","","","","","","1.015","","","","has coordinates","286324","2023-09-13","21:53:58",""
"7132123","10.537","0.0001","18.0731","0.0002","20.1419","0.0002","90","","95.861","0.001","90","","3815.7","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Au B10 N2 O2 -","- C32 H43 Au B10 N2 O2 -","- C128 H172 Au4 B40 N8 O8 -","4","1","","Powley, Samuel L.; Riley, Charlotte; Cho, Hwan-Hee; Phuoc, Nguyen Le; Greenham, N. C.; Linnolahti, Mikko; Romanov, Alexander S.","Highly phosphorescent Carbene-Metal-Carboranyl complexes of Copper(I) and Gold(I)","Chemical Communications","2023","","","","","10.1039/D3CC04091G","","x-ray","1.54184","CuKα","","0.0298","0.0266","","","0.0662","0.0675","","","","","","1.089","","","","has coordinates,has disorder","286324","2023-09-13","21:54:00",""
"7132124","11.48602","0.00012","19.7064","0.0002","17.35568","0.00019","90","","93.0324","0.001","90","","3922.92","0.07","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Au B10 N2 O2 -","- C35 H57 Au B10 N2 O2 -","- C140 H228 Au4 B40 N8 O8 -","4","1","","Powley, Samuel L.; Riley, Charlotte; Cho, Hwan-Hee; Phuoc, Nguyen Le; Greenham, N. C.; Linnolahti, Mikko; Romanov, Alexander S.","Highly phosphorescent Carbene-Metal-Carboranyl complexes of Copper(I) and Gold(I)","Chemical Communications","2023","","","","","10.1039/D3CC04091G","","x-ray","1.54184","CuKα","","0.0244","0.023","","","0.0625","0.0635","","","","","","1.134","","","","has coordinates","286324","2023-09-13","21:54:00",""
"7132125","10.63269","0.0001","18.25848","0.00015","19.63777","0.00018","90","","96.549","0.0008","90","","3787.54","0.06","99.99","0.17","99.99","0.17","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 B10 Cu N2 O2 -","- C35 H50 B10 Cu N2 O2 -","- C140 H200 B40 Cu4 N8 O8 -","4","1","","Powley, Samuel L.; Riley, Charlotte; Cho, Hwan-Hee; Phuoc, Nguyen Le; Greenham, N. C.; Linnolahti, Mikko; Romanov, Alexander S.","Highly phosphorescent Carbene-Metal-Carboranyl complexes of Copper(I) and Gold(I)","Chemical Communications","2023","","","","","10.1039/D3CC04091G","","x-ray","1.54184","CuKα","","0.0451","0.039","","","0.1024","0.1063","","","","","","1.034","","","","has coordinates","286324","2023-09-13","21:54:00",""
"7132126","10.9247","0.0002","26.7491","0.0004","11.4847","0.0002","90","","97.26","0.002","90","","3329.22","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H45 B10 Cu N2 O2 -","- C29 H45 B10 Cu N2 O2 -","- C116 H180 B40 Cu4 N8 O8 -","4","1","","Powley, Samuel L.; Riley, Charlotte; Cho, Hwan-Hee; Phuoc, Nguyen Le; Greenham, N. C.; Linnolahti, Mikko; Romanov, Alexander S.","Highly phosphorescent Carbene-Metal-Carboranyl complexes of Copper(I) and Gold(I)","Chemical Communications","2023","","","","","10.1039/D3CC04091G","","x-ray","0.71073","MoKα","","0.0528","0.039","","","0.0904","0.0982","","","","","","1.049","","","","has coordinates","286324","2023-09-13","21:54:00",""
"7132127","17.2411","0.0012","18.2386","0.0011","32.1839","0.0018","90","","90","","90","","10120.3","1.1","152.65","","152.65","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C59 H74 N2 Pd -","- C59 H74 N2 Pd -","- C472 H592 N16 Pd8 -","8","1","","Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik","Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate","Chemical Communications","2023","","","","","10.1039/D3CC03964A","","","0.71073","MoKα","","0.2131","0.0711","","","0.1181","0.1494","","","","","","0.88","","","","has coordinates","286338","2023-09-14","21:55:48",""
"7132128","9.6158","0.0006","10.0704","0.0007","12.4686","0.0008","80.144","0.002","75.837","0.002","67.448","0.002","1077.14","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 Pd -","- C27 H23 N3 Pd -","- C54 H46 N6 Pd2 -","2","1","","Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik","Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate","Chemical Communications","2023","","","","","10.1039/D3CC03964A","","","0.71073","MoKα","","0.0614","0.0442","","","0.0853","0.0931","","","","","","1.066","","","","has coordinates","286338","2023-09-14","21:55:49",""
"7132129","9.941","0.0005","13.2345","0.0006","14.5821","0.0007","79.083","0.001","86.088","0.002","85.104","0.002","1874.23","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H59 N3 Pd -","- C43 H59 N3 Pd -","- C86 H118 N6 Pd2 -","2","1","","Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik","Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate","Chemical Communications","2023","","","","","10.1039/D3CC03964A","","","0.71073","MoKα","","0.0409","0.0324","","","0.0607","0.0636","","","","","","1.06","","","","has coordinates","286338","2023-09-14","21:55:49",""
"7132130","12.9417","0.0008","17.462","0.0011","18.3894","0.0011","90","","105.537","0.002","90","","4003.9","0.4","155.75","","155.75","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 N2 O Pd -","- C44 H60 N2 O Pd -","- C176 H240 N8 O4 Pd4 -","4","1","","Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik","Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate","Chemical Communications","2023","","","","","10.1039/D3CC03964A","","","0.71073","MoKα","","0.0383","0.0282","","","0.0688","0.0735","","","","","","1.038","","","","has coordinates,has disorder","286338","2023-09-14","21:55:49",""
"7132131","21.1187","0.0008","13.1872","0.0006","32.3582","0.0013","90","","103.994","0.002","90","","8744.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H67 N3 Pd -","- C53 H67 N3 Pd -","- C424 H536 N24 Pd8 -","8","1","","Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik","Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate","Chemical Communications","2023","","","","","10.1039/D3CC03964A","","","0.71073","MoKα","","0.0689","0.066","","","0.1356","0.1364","","","","","","1.474","","","","has coordinates,has disorder","286338","2023-09-14","21:55:50",""
"7132132","17.9368","0.0006","17.9368","0.0006","7.5125","0.0004","90","","90","","90","","2416.99","0.17","170","2","170","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- As Cd Cs2 Se5 -","- As Cd Cs2 Se5 -","- As8 Cd8 Cs16 Se40 -","8","1","","Chen , Xin; Zhou, Shenghua; Zhang, Chao; Lin, Hua; Liu, Yi","A novel bifunctional thioarsenate based on unprecedented molecular [Cd4As8S16(S2)2]8− cluster anions","Chemical Communications","2023","","","","","10.1039/D3CC03538G","","","0.71073","MoKα","","0.0442","0.0433","","","0.1087","0.1092","","","","","","1.09","","","","has coordinates","286339","2023-09-14","21:56:32",""
"7132133","11.6487","0.0008","12.2187","0.0009","17.8531","0.0013","74.707","0.001","73.741","0.001","84.249","0.001","2352.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(bistriflimide) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-p-tolylmethanimine) acetonitrile solvate","","- C90 H70 F24 N12 O16 S8 -","- C90 H70 F24 N12 O16 S8 -","- C90 H70 F24 N12 O16 S8 -","1","0.5","","Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan","Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03406b","","","0.71073","MoKα","","0.033","0.0289","","","0.0766","0.0793","","","","","","1.03","","","","has coordinates","286340","2023-09-14","21:57:33",""
"7132134","6.1032","0.0013","8.943","0.002","13.218","0.003","79.84","0.004","81.504","0.004","75.748","0.004","684.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-(4-(tert-butyl)phenyl)methanimine)","","- C36 H36 N2 -","- C36 H36 N2 -","- C36 H36 N2 -","1","0.5","","Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan","Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03406b","","","0.71073","MoKα","","0.1492","0.0891","","","0.162","0.1822","","","","","","1.084","","","","has coordinates","286340","2023-09-14","21:57:34",""
"7132135","16.2355","0.0007","5.7098","0.0003","11.9788","0.0005","90","","102.984","0.001","90","","1082.06","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-p-tolylmethanimine)","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","0.5","","Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan","Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03406b","","","0.71073","MoKα","","0.0401","0.035","","","0.0915","0.0959","","","","","","1.051","","","","has coordinates","286340","2023-09-14","21:57:34",""
"7132136","11.6339","0.0017","20.236","0.003","18.043","0.003","90","","102.544","0.003","90","","4146.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(triflate) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-phenylmethanimine) bis(aniline)","","- C92 H74 F12 N8 O12 S4 -","- C92 H74 F12 N8 O12 S4 -","- C184 H148 F24 N16 O24 S8 -","2","0.5","","Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan","Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03406b","","","0.71073","MoKα","","0.0482","0.0376","","","0.0927","0.0993","","","","","","1.028","","","","has coordinates","286340","2023-09-14","21:57:34",""
"7132137","14.4346","0.0002","19.101","0.0003","21.581","0.0004","68.078","0.001","72.522","0.001","89.717","0.001","5226.35","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(hexafluorophosphate) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-(4-(tert-butyl)phenyl)methanimine) acetonitrile solvate","","- C104 H106 F24 N16 P4 -","- C104 H106 F24 N16 P4 -","- C208 H212 F48 N32 P8 -","2","1","","Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan","Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03406b","","","1.54178","CuKα","","0.1028","0.0973","","","0.2651","0.2751","","","","","","1.078","","","","has coordinates,has disorder","286340","2023-09-14","21:57:35",""
"7132138","10.182","0.0006","10.2729","0.0006","19.3413","0.0012","90","","90","","90","","2023.1","0.2","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N3 O3 -","- C23 H18 Br N3 O3 -","- C92 H72 Br4 N12 O12 -","4","1","","Biswas, Subhankar; Purkayastha, Siddhartha Kumar; Guha, Ankur Kanti; Pan, Subhas Chandra","Sequential Organo and Metal Catalyzed Reaction Between 3-Pyrrolyloxindoles and Linear Nitroenynes: Access to Cyclic Aza-Spirooxindoles","Chemical Communications","2023","","","","","10.1039/D3CC03713D","","","0.71073","MoKα","","0.0255","0.0228","","","0.0585","0.0604","","","","","","1.013","","","","has coordinates","286356","2023-09-15","21:55:14",""
"7132139","7.7574","0.0007","13.918","0.0014","9.8197","0.0009","90","","107.102","0.003","90","","1013.33","0.17","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Br N3 O3 -","- C23 H18 Br N3 O3 -","- C46 H36 Br2 N6 O6 -","2","1","","Biswas, Subhankar; Purkayastha, Siddhartha Kumar; Guha, Ankur Kanti; Pan, Subhas Chandra","Sequential Organo and Metal Catalyzed Reaction Between 3-Pyrrolyloxindoles and Linear Nitroenynes: Access to Cyclic Aza-Spirooxindoles","Chemical Communications","2023","","","","","10.1039/D3CC03713D","","","0.71073","MoKα","","0.0257","0.0234","","","0.0554","0.057","","","","","","0.709","","","","has coordinates","286356","2023-09-15","21:55:16",""
"7132140","15.5792","0.0004","18.964","0.0005","21.4149","0.0005","72.501","0.002","78.358","0.002","71.564","0.002","5684.5","0.3","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H72 N8 O2 -","- C70 H72 N8 O2 -","- C280 H288 N32 O8 -","4","2","","Eichelmann, Robert; Rippel, Daniel; Ballmann, Joachim; Gade, Lutz H.","Zipping up Tetraazaperylene: Synthesis of Tetraazacoronenes via Double Coupling in the Bay Positions","Chemical Communications","2023","","","","","10.1039/D3CC04113A","","x-ray","1.54184","CuKα","","0.1746","0.0905","","","0.2339","0.2852","","","","","","0.951","","","","has coordinates,has disorder","286389","2023-09-18","21:58:30",""
"7132141","13.3834","0.0002","15.0836","0.0002","17.548","0.0002","106.627","0.001","96.533","0.001","91.825","0.001","3364.53","0.08","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H87 Cl2 N8 O7.5 -","- C74 H80 N8 O6 -","- C148 H160 N16 O12 -","2","1","","Eichelmann, Robert; Rippel, Daniel; Ballmann, Joachim; Gade, Lutz H.","Zipping up Tetraazaperylene: Synthesis of Tetraazacoronenes via Double Coupling in the Bay Positions","Chemical Communications","2023","","","","","10.1039/D3CC04113A","","x-ray","1.54184","CuKα","","0.0667","0.0566","","","0.147","0.1546","","","","","","1.027","","","","has coordinates,has disorder","286389","2023-09-18","21:58:31",""
"7132142","8.0389","0.0017","31.902","0.007","9.109","0.002","90","","109.917","0.006","90","","2196.3","0.8","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N4 O -","- C25 H28 N4 O -","- C100 H112 N16 O4 -","4","1","","Revathi, Shanmugam; Lalasaheb, Aditya Shinde; Mulimani, Rajashekhar K.; Mandal, Debasish; Maity, Amit Ranjan; Garai, Somenath; Ghatak, Tapas","N-Heterocyclic Imino Catalyzed 1,4-Regioselective Azide-Alkyne Cycloaddition (AAC): A Metal-free Approach","Chemical Communications","2023","","","","","10.1039/D3CC04065H","","","0.71073","MoKα","","0.0699","0.0457","","","0.1046","0.1192","","","","","","1.035","","","","has coordinates","286432","2023-09-20","21:55:17",""
"7132143","9.6983","0.0019","10.099","0.002","12.581","0.003","69.766","0.004","70.291","0.003","65.925","0.003","1027.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C54 H44 O6 -","2","1","","Zhang, Xu; Wang, Di; Chang, Mengfan; Wang, Yawan; Shen, Zhi; Xu, Xuefeng","CuBr-Mediated Synthesis of 1,4-Naphthoquinones via Ring Expansion of 2-Aryl-1,3-indandiones","Chemical Communications","2023","","","","","10.1039/D3CC03753C","","","0.71073","MoKα","","0.0917","0.0504","","","0.1408","0.1812","","","","","","1.006","","","","has coordinates","286433","2023-09-20","21:55:41",""
"7132144","15.9721","0.0009","18.6173","0.0009","25.1641","0.0005","89.96","0.003","85.636","0.003","87.428","0.004","7453.5","0.6","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H6 F6 N4 O4 S2 -","- C3 H7 F6 N4 O4 S2 -","- C72 H168 F144 N96 O96 S48 -","24","12","","Brown, John; Forero-Saboya, Juan David; Baptiste, Benoît; Karlsmo, Martin; Rousse, Gwenaëlle; Grimaud, Alexis","A Guanidium Salt as a Chaotropic Agent for Aqueous Battery Electrolytes","Chemical Communications","2023","","","","","10.1039/D3CC03769J","","x-ray","0.71073","MoKα","","0.1394","0.1027","","","0.2681","0.2976","","","","","","1.045","","","","has coordinates,has disorder","286434","2023-09-20","21:56:12",""
"7132145","7.313","0.002","8.956","0.002","10.153","0.002","79.13","0.03","71.47","0.03","67.85","0.03","582.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 N O6 Re -","- C7 H16 N O6 Re -","- C14 H32 N2 O12 Re2 -","2","1","","Xu, Yijue; Calabrese, Miriam; Demitri, Nicola; Pizzi, Andrea; Nag, Tamali; Hung, Ivan; Gan, Zhehong; Resnati, Giuseppe; Bryce, David L.","Non-Covalent Matere Bonds in Perrhenates Probed via Ultrahigh Field Rhenium-185/187 NMR and Zero-Field NQR Spectroscopy","Chemical Communications","2023","","","","","10.1039/D3CC04090A","","","0.62","Synchrotron","","0.1151","0.1033","","","0.1802","0.1859","","","","","","1.117","","","","has coordinates","286448","2023-09-21","21:57:00",""
"7132146","12.3821","0.0012","18.3455","0.0015","11.4591","0.0012","90","","110.66","0.003","90","","2435.6","0.4","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 B F2 N3 -","- C31 H24 B F2 N3 -","- C124 H96 B4 F8 N12 -","4","1","","Li, Wanwan; Gong, Qingbao; Wu, Qinghua; Guo, Luying; Guo, Xing; Guo, Dianjun; Jiao, Lijuan; Hao, Erhong","Pictet–Spengler Synthesis of Twist Quinoline-Fused BODIPYs as Heavy-Atom-Free Photosensitizers","Chemical Communications","2023","","","","","10.1039/D3CC04460B","","x-ray","0.71073","MoKα","","0.0841","0.0626","","","0.1601","0.1786","","","","","","1.026","","","","has coordinates,has disorder","286469","2023-09-22","21:55:26",""
"7132147","12.348","0.004","18.253","0.006","11.465","0.004","90","","110.146","0.009","90","","2426","1.4","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 B F2 N4 -","- C30 H23 B F2 N4 -","- C120 H92 B4 F8 N16 -","4","1","","Li, Wanwan; Gong, Qingbao; Wu, Qinghua; Guo, Luying; Guo, Xing; Guo, Dianjun; Jiao, Lijuan; Hao, Erhong","Pictet–Spengler Synthesis of Twist Quinoline-Fused BODIPYs as Heavy-Atom-Free Photosensitizers","Chemical Communications","2023","","","","","10.1039/D3CC04460B","","x-ray","0.71073","MoKα","","0.0952","0.0496","","","0.1178","0.1389","","","","","","1.022","","","","has coordinates,has disorder","286469","2023-09-22","21:55:27",""
"7132148","15.1135","0.0006","10.4102","0.0004","15.422","0.0005","90","","119.015","0.001","90","","2121.88","0.14","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Bag, Debojyoti; Sawant, Sanghapal D.","Ag(I)-Catalyzed Dearomatizing Spirocyclization/Nucleophile Addition Cascade Reactions of Indole-tethered Ynones","Chemical Communications","2023","","","","","10.1039/D3CC03543C","","","0.71073","MoKα","","0.0615","0.0499","","","0.1208","0.1278","","","","","","1.077","","","","has coordinates","286470","2023-09-22","21:56:11",""
"7132149","37.641","0.003","7.1425","0.0006","15.2538","0.0012","90","","99.978","0.003","90","","4039","0.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C216 H176 N16 O8 -","8","1","","Bag, Debojyoti; Sawant, Sanghapal D.","Ag(I)-Catalyzed Dearomatizing Spirocyclization/Nucleophile Addition Cascade Reactions of Indole-tethered Ynones","Chemical Communications","2023","","","","","10.1039/D3CC03543C","","","0.71073","MoKα","","0.0857","0.0531","","","0.1229","0.1374","","","","","","1.033","","","","has coordinates","286470","2023-09-22","21:56:11",""
"7132150","14.9484","0.0007","14.9484","0.0007","4.8464","0.0002","90","","90","","120","","937.86","0.07","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- C2 Ba O5 -","- C2 Ba O5 -","- C24 Ba12 O60 -","12","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn","Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03324d","","x-ray","0.2901","","","0.0336","0.0336","","","0.0364","0.0364","","","","2.28","2.28","2.28","","","","has coordinates","286510","2023-09-25","21:55:29",""
"7132151","14.856","","14.856","","4.831","","90","","90","","120","","923.361","","","","","","","","","","","","","3","P 6/m","-P 6","175","","","","- C2 Ba O5 -","- C2 Ba O5 -","- C24 Ba12 O60 -","12","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn","Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03324d","","","","","","","","","","","","","","","","","","","","","has coordinates","286510","2023-09-25","21:55:30",""
"7132152","12.297","0.0008","12.7194","0.0009","17.677","0.0011","90","","98.366","0.003","90","","2735.4","0.3","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NJ05","","- C32 H37 Cl O2 -","- C32 H37 Cl O2 -","- C128 H148 Cl4 O8 -","4","1","","Jha, Neha; Mondal, Subhadip; Kapur, Manmohan","Site-selective ring opening of bicyclo[n.1.0]alkanols: An Fe(II)-catalyzed 1,6-conjugate addition to p-quinone methides","Chemical Communications","2023","","","","","10.1039/D3CC04135B","","","1.54178","CuKα","","0.1167","0.097","","","0.2402","0.2594","","","","","","1.027","","","","has coordinates","286511","2023-09-25","21:56:07",""
"7132153","8.8874","0.0013","11.678","0.0017","12.9106","0.0017","91.085","0.008","93.65","0.008","91.818","0.008","1336.3","0.3","140","","140","","","","","","","","","4","P -1","-P 1","2","","NJ-02","","- C32 H37 Br O2 -","- C32 H37 Br O2 -","- C64 H74 Br2 O4 -","2","1","","Jha, Neha; Mondal, Subhadip; Kapur, Manmohan","Site-selective ring opening of bicyclo[n.1.0]alkanols: An Fe(II)-catalyzed 1,6-conjugate addition to p-quinone methides","Chemical Communications","2023","","","","","10.1039/D3CC04135B","","","1.54178","CuKα","","0.0651","0.0607","","","0.1517","0.1546","","","","","","1.162","","","","has coordinates","286511","2023-09-25","21:56:08",""
"7132154","7.1153","0.0004","12.1904","0.0007","14.8931","0.0008","79.211","0.002","77.257","0.002","80.078","0.002","1226.09","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N3 O5 S -","- C29 H23 N3 O5 S -","- C58 H46 N6 O10 S2 -","2","1","","Guo, Tao; Hu, Penghua; Liu, Yu; Zhang, Panke; Zhao, Yun-Hui; Zhu, Congjun","Ketosulfonylmethylenation and Sulfonylethyleneation of Imidazoheterocycles with Dimethylformamide as Methylene Source","Chemical Communications","2023","","","","","10.1039/D3CC03850E","","","0.71073","MoKα","","0.058","0.0423","","","0.1072","0.115","","","","","","1.03","","","","has coordinates","286536","2023-09-26","21:55:15",""
"7132155","7.8993","0.0005","11.6888","0.0007","12.4066","0.0008","113.99","0.002","103.914","0.002","90.572","0.002","1008.35","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 F3 N4 O6 -","- C17 H17 F3 N4 O6 -","- C34 H34 F6 N8 O12 -","2","1","","Wang, Jie; Wang, Shan-Shan; Xiao, Jun; He, Yu-Jie; Wu, Xin-Yan; Li, Xingguang; Liu, Pei-Nian","Formal (4+2) cycloaddition of azoalkenes with trifluoromethylimidoyl sulfoxonium ylides: synthesis of trifluoromethyl pyridazine derivatives","Chemical Communications","2023","","","","","10.1039/D3CC03950A","","","0.71073","MoKα","","0.1088","0.0661","","","0.1262","0.1492","","","","","","1.074","","","","has coordinates,has disorder","286537","2023-09-26","21:55:40",""
"7132156","9.0815","0.0008","9.9989","0.0009","11.207","0.001","95.562","0.003","100.951","0.003","93.877","0.003","990.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 F3 N4 O6 -","- C17 H17 F3 N4 O6 -","- C34 H34 F6 N8 O12 -","2","1","","Wang, Jie; Wang, Shan-Shan; Xiao, Jun; He, Yu-Jie; Wu, Xin-Yan; Li, Xingguang; Liu, Pei-Nian","Formal (4+2) cycloaddition of azoalkenes with trifluoromethylimidoyl sulfoxonium ylides: synthesis of trifluoromethyl pyridazine derivatives","Chemical Communications","2023","","","","","10.1039/D3CC03950A","","","0.71073","MoKα","","0.0989","0.0561","","","0.1288","0.1546","","","","","","1.037","","","","has coordinates","286537","2023-09-26","21:55:40",""
"7132157","20.2226","0.0002","20.2409","0.0002","23.341","0.0003","80.491","0.0009","89.9651","0.0009","76.2585","0.0009","9145.6","0.18","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C171.5 H149 N29.5 O52.25 Th6 -","- C171.5 H149 N29.5 O52.25 Th6 -","- C343 H298 N59 O104.5 Th12 -","2","1","","Lu, Huangjie; Ma, Jingqi; Yang, Junpu; Hou, Huiliang; Lu, Jiacheng; Wang, Jian-Qiang; Wang, Yaxing; Lin, Jian","Ratiometric radio-photoluminescence dosimeter based on a radical excimer for X-Ray detection","Chemical Communications","2023","","","","","10.1039/D3CC03824F","","","0.71073","MoKα","","0.0512","0.0376","","","0.0849","0.0921","","","","","","1.15","","","","has coordinates,has disorder","286538","2023-09-26","21:56:05",""
"7132158","10.4638","0.001","13.6095","0.001","11.5026","0.001","90","","102.123","0.004","90","","1601.5","0.2","290","2","290","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl3 N4 O S -","- C32 H35 Cl3 N4 O S -","- C64 H70 Cl6 N8 O2 S2 -","2","1","","Dai, Jiang; Xiong, Wei; Li, Dong-Yu; Cai, Zhongzheng; Zhu, Jian-Bo","Bifunctional Thiourea-Based Organocatalysts Promoted Kinetic Resolution Polymerization of Racemic Lactide to Isotactic Polylactide","Chemical Communications","2023","","","","","10.1039/D3CC04203K","","","0.71073","MoKα","","0.0842","0.0529","","","0.1186","0.1383","","","","","","1","","","","has coordinates","286589","2023-09-28","21:55:40",""
"7132159","21.9758","0.0014","23.498","0.0015","14.4237","0.0009","90","","90","","90","","7448.2","0.8","180","","180","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H90 N21 O16 P -","- C64 H90 N21 O16 P -","- C256 H360 N84 O64 P4 -","4","1","","Sun, Zhong-Yu; Chen, Si-Qi; Liang, Lin; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","pH-dependent phosphate separation using tripodal hexaurea receptor","Chemical Communications","2023","","","","","10.1039/D3CC04122K","","","0.71073","MoKα","","0.0882","0.061","","","0.1406","0.1539","","","","","","1.072","","","","has coordinates,has disorder","286590","2023-09-28","21:56:10",""
"7132160","7.7766","0.0004","10.4591","0.0005","11.6939","0.0006","63.794","0.002","86.998","0.002","89.877","0.002","851.97","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","N-((1S,2S)-2-hydroxy-1-phenylpent-4-en-1-yl)-4-methylbenzenesulfonamide","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C36 H42 N2 O6 S2 -","2","2","","Kim, Jae Yeon; Davies, Thomas Q.; Fuerstner, Alois","Aminoalcohol derivatives by nickel-catalyzed enantioselective coupling of imines and dienol ethers","Chemical Communications","2023","","","","","10.1039/D3CC04582J","","","0.71073","Mo-Kα","","0.0268","0.0261","","","0.0704","0.0708","","","","","","1.083","","","","has coordinates","286591","2023-09-28","21:56:37",""
"7132161","11.4339","0.0005","9.3891","0.0004","24.5636","0.0011","90","","90","","90","","2637","0.2","293","2","293","","","","","","","","","4","A e a 2","A 2 -2ab","41","","1-cis","","- C28 H32 N6 O2 -","- C28 H32 N6 O2 -","- C112 H128 N24 O8 -","4","0.5","","Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing","Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle","Chemical Communications","2023","","","","","10.1039/D3CC03608A","","x-ray","1.54184","CuKα","","0.0373","0.0356","","","0.0917","0.0941","","","","","","1.0647","","","","has coordinates","286604","2023-09-30","21:55:07",""
"7132162","12.2849","0.0002","14.4216","0.0002","16.579","0.0002","90","","90","","90","","2937.27","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-trans","","- C9.538 H12 N2.154 O0.923 -","- C9.53846 H12 N2.15385 O0.923077 -","- C124 H156 N28 O12 -","13","3.25","","Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing","Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle","Chemical Communications","2023","","","","","10.1039/D3CC03608A","","x-ray","1.54184","CuKα","","0.0397","0.037","","","0.0943","0.0963","","","","","","1.0494","","","","has coordinates","286604","2023-09-30","21:55:08",""
"7132163","8.561","0.004","13.824","0.006","14.98","0.005","109.617","0.009","106.009","0.009","102.214","0.007","1511.9","1.1","283","2","283","","","","","","","","","5","P -1","-P 1","2","","1,8-Diiodo-9,10-BN-Naphthalene","","- C24 H18 B3 I6 N3 -","- C24 H18 B3 I6 N3 -","- C48 H36 B6 I12 N6 -","2","1","","Fang, Xiangdong","Copper-Catalyzed Nitration of Electron-Deficient BN-Naphthalene","Chemical Communications","2023","","","","","10.1039/D3CC04359B","","","0.71073","MoKα","","0.0875","0.0487","","","0.0962","0.1142","","","","","","1.022","","","","has coordinates","286605","2023-09-30","21:56:13",""
"7132164","10.2757","0.0005","10.6008","0.0004","13.6875","0.0006","98.866","0.002","97.836","0.002","99.621","0.002","1432.2","0.11","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 B Cl2 N2 O2 -","- C8 H5 B Cl2 N2 O2 -","- C48 H30 B6 Cl12 N12 O12 -","6","3","","Fang, Xiangdong","Copper-Catalyzed Nitration of Electron-Deficient BN-Naphthalene","Chemical Communications","2023","","","","","10.1039/D3CC04359B","","x-ray","0.71073","MoKα","","0.0646","0.0487","","","0.1147","0.121","","","","","","1.123","","","","has coordinates,has disorder","286605","2023-09-30","21:56:13",""
"7132165","10.6162","0.0012","10.7945","0.0011","13.7859","0.0016","98.209","0.004","97.619","0.004","98.727","0.004","1526.2","0.3","190","2","190","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 B Br2 N2 O2 -","- C8 H5 B Br2 N2 O2 -","- C48 H30 B6 Br12 N12 O12 -","6","3","","Fang, Xiangdong","Copper-Catalyzed Nitration of Electron-Deficient BN-Naphthalene","Chemical Communications","2023","","","","","10.1039/D3CC04359B","","x-ray","0.71073","MoKα","","0.0746","0.0581","","","0.1562","0.1685","","","","","","1.054","","","","has coordinates,has disorder","286605","2023-09-30","21:56:14",""
"7132166","7.8145","0.0007","8.1585","0.0007","17.1814","0.0015","82.588","0.003","89.88","0.003","85.833","0.003","1083.34","0.16","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 B2 I4 N4 O4 -","- C16 H10 B2 I4 N4 O4 -","- C32 H20 B4 I8 N8 O8 -","2","1","","Fang, Xiangdong","Copper-Catalyzed Nitration of Electron-Deficient BN-Naphthalene","Chemical Communications","2023","","","","","10.1039/D3CC04359B","","","0.71073","MoKα","","0.0541","0.0377","","","0.0686","0.0762","","","","","","1.098","","","","has coordinates","286605","2023-09-30","21:56:14",""
"7132167","15.7591","0.0003","7.2376","0.0001","17.3492","0.0003","90","","116.14","0.002","90","","1776.42","0.06","295.5","0.11","295.5","0.11","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C42 H34 N2 O4 S2 -","- C42 H34 N2 O4 S2 -","- C84 H68 N4 O8 S4 -","2","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","1.54184","CuKα","","0.043","0.0412","","","0.1154","0.1181","","","","","","1.066","","","","has coordinates","286626","2023-10-02","21:55:58",""
"7132168","29.787","0.005","7.0172","0.0012","13.601","0.002","90","","103.886","0.003","90","","2759.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N O6 S -","- C13 H13 N O6 S -","- C104 H104 N8 O48 S8 -","8","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","","0.71073","MoKα","","0.1001","0.051","","","0.1365","0.1631","","","","","","1.003","","","","has coordinates","286626","2023-10-02","21:55:59",""
"7132169","11.693","0.0016","12.6184","0.0017","8.9005","0.0012","90","","90","","90","","1313.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","","0.71073","MoKα","","0.0443","0.0353","","","0.089","0.0955","","","","","","1.003","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132170","6.9772","0.0003","19.639","0.0011","25.1001","0.0011","90","","90","","90","","3439.3","0.3","247","3","247","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O2 S -","- C21 H17 N O2 S -","- C168 H136 N8 O16 S8 -","8","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","0.71073","MoKα","","0.0606","0.0474","","","0.1247","0.1324","","","","","","1.054","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132171","8.6492","0.0002","17.3276","0.0005","12.0342","0.0003","90","","95.352","0.002","90","","1795.7","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 P S0.25 -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","0.71073","MoKα","","0.0447","0.0366","","","0.09","0.0941","","","","","","1.068","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132172","15.2972","0.0015","7.4805","0.0005","17.3374","0.0016","90","","107.376","0.01","90","","1893.4","0.3","302.9","0.2","302.9","0.2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H38 N2 O4 S2 -","- C44 H38 N2 O4 S2 -","- C88 H76 N4 O8 S4 -","2","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","0.71073","MoKα","","0.1554","0.0949","","","0.2269","0.2786","","","","","","1","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132173","28.7921","0.0003","5.3427","0.0001","8.5903","0.0001","90","","92.7637","0.0011","90","","1319.89","0.03","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","0.5","","de Munnik, Mariska; Lithgow, Jasper; Brewitz, Lennart; Christensen, Kirsten; Bates, Robert H.; Rodríguez Miquel, Beatriz; Schofield, Christopher J.","αβ,α′β′-Diepoxyketones are Mechanism-Based Inhibitors of Nucleophilic Cysteine Enzymes","Chemical Communications","2023","","","","","10.1039/D3CC02932H","","","1.54184","CuKα","","0.0303","0.0294","","0.0786","0.0777","0.0786","","","","","","0.9994","","","","has coordinates","286627","2023-10-02","21:56:48",""
"7132174","7.5387","0.0003","13.4947","0.0006","30.0141","0.0012","90","","90","","90","","3053.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O5 S Si -","- C30 H41 N O5 S Si -","- C120 H164 N4 O20 S4 Si4 -","4","1","","Zhong, Lei; Wang, Qunliang; Wang, Yujuan; Cheng, Yiyang; Xiong, Yimeng; Peng, Haibo; Zhou, Zhen; He, Yun; Dai, Yuanwei","Facile and Stereospecific Synthesis of Diverse β-N-Glycosyl Sulfonamide Scaffolds via Palladium Catalysis","Chemical Communications","2023","","","","","10.1039/D3CC04063A","","x-ray","0.71073","MoKα","","0.0799","0.0515","","","0.109","0.1242","","","","","","1.035","","","","has coordinates","286654","2023-10-04","21:54:15",""
"7132175","8.96313","0.00011","6.06546","0.00008","32.0458","0.0003","90","","91.1858","0.001","90","","1741.81","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I N O2 S -","- C18 H18 I N O2 S -","- C72 H72 I4 N4 O8 S4 -","4","1","","Wang, Shutao; Gao, Yuan; Hu, Yansong; Zhou, Jintao; Chen, Zhidang; Liu, Zhao; Zhang, Yuan","Direct annulation between glycine derivatives and thiiranes through photoredox/iron cooperative catalysis","Chemical Communications","2023","","","","","10.1039/D3CC04580C","","x-ray","1.54184","CuKα","","0.0421","0.0412","","","0.1161","0.1172","","","","","","1.064","","","","has coordinates","286655","2023-10-04","21:54:56",""
"7132176","6.61353","0.00009","27.3767","0.0004","10.14913","0.00014","90","","104.414","0.0014","90","","1779.72","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H0.25 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","1","","Wang, Shutao; Gao, Yuan; Hu, Yansong; Zhou, Jintao; Chen, Zhidang; Liu, Zhao; Zhang, Yuan","Direct annulation between glycine derivatives and thiiranes through photoredox/iron cooperative catalysis","Chemical Communications","2023","","","","","10.1039/D3CC04580C","","x-ray","1.54184","CuKα","","0.0437","0.0406","","","0.1101","0.1125","","","","","","1.068","","","","has coordinates","286655","2023-10-04","21:54:57",""
"7132177","5.6357","0.0003","5.6357","0.0003","5.6357","0.0003","90","","90","","90","","178.996","0.017","295","2","295","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","rock salt","sodium chloride","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean","Single crystal formation in core-shell capsules.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03727d","","x-ray","0.71073","MoKα","","0.0102","0.0102","","","0.0239","0.0239","","","","","","1.246","","","","has coordinates","286826","2023-10-06","21:56:40",""
"7132178","5.1018","0.0009","11.9664","0.0016","5.4624","0.0009","90","","111.73","0.02","90","","309.78","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine, alpha polymorph","aminoacetic acid, alpha polymorph","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean","Single crystal formation in core-shell capsules.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03727d","","","0.71073","MoKα","","0.0643","0.0451","","","0.1176","0.1311","","","","","","1.098","","","","has coordinates","286826","2023-10-06","21:56:41",""
"7132179","5.0947","0.0006","6.2681","0.0005","5.3883","0.0006","90","","113.232","0.014","90","","158.12","0.03","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","glycine, beta polymorph","aminoacetic acid, beta polymorph","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean","Single crystal formation in core-shell capsules.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03727d","","x-ray","0.71073","MoKα","","0.0514","0.0429","","","0.0887","0.097","","","","","","1.073","","","","has coordinates","286826","2023-10-06","21:56:41",""
"7132180","7.7406","0.0004","11.2606","0.0005","16.0854","0.0008","72.603","0.001","76.223","0.001","73.608","0.001","1265.31","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H16 Br6 Eu2 N6 O26 -","- C36 H16 Br6 Eu2 N6 O26 -","- C36 H16 Br6 Eu2 N6 O26 -","1","0.5","","Yu, Pengwei; Li, Mengyang; Hu, Shuaifeng; Pan, Changwang; Shen, Wangqiang; GUO, Kun; Xie, Yun-Peng; Bao, Lipiao; Zhang, Rui; Lu, Xing","Stabilizing non-IPR C2(13333)-C74 cage with Lu2C2/Lu2O: the importance of encaged non-metallic elements","Chemical Communications","2023","","","","","10.1039/D3CC04668K","","","0.71073","MoKα","","0.0312","0.0275","","","0.0698","0.072","","","","","","1.034","","","","has coordinates","286827","2023-10-06","21:57:33",""
"7132181","25.811","0.003","16.724","0.002","17.817","0.002","90","","106.529","0.004","90","","7373.1","1.5","446","2","446","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C240 H106 Lu4 N8 Ni2 O2 S4 -","- C240 H106 Lu3.9998 N8 Ni2 O2 S4 -","- C480 H212 Lu7.9996 N16 Ni4 O4 S8 -","2","0.25","","Yu, Pengwei; Li, Mengyang; Hu, Shuaifeng; Pan, Changwang; Shen, Wangqiang; GUO, Kun; Xie, Yun-Peng; Bao, Lipiao; Zhang, Rui; Lu, Xing","Stabilizing non-IPR C2(13333)-C74 cage with Lu2C2/Lu2O: the importance of encaged non-metallic elements","Chemical Communications","2023","","","","","10.1039/D3CC04668K","","","0.71073","synchrotron","","0.1037","0.082","","","0.2335","0.2669","","","","","","1.032","","","","has coordinates,has disorder","286827","2023-10-06","21:57:34",""
"7132182","17.8418","0.0009","17.8598","0.0009","19.238","0.001","88.9389","0.0008","81.5494","0.0008","89.9199","0.0008","6062.6","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H90 O Sn -","- C72 H90 O Sn -","- C288 H360 O4 Sn4 -","4","2","","Zou, Wenxing; Mears, Kristian; Fettinger, James C.; Power, Philip P.","Sn(II)–Carbon Bond Reactivity: Radical Generation and Consumption via Reactions of a Stannylene with Alkynes","Chemical Communications","2023","","","","","10.1039/D3CC04014C","","","0.71073","MoKα","","0.0931","0.0619","","","0.1091","0.1183","","","","","","1.135","","","","has coordinates,has disorder","286849","2023-10-09","21:54:41",""
"7132183","9.6825","0.0011","11.7854","0.0013","18.19","0.002","90.3576","0.0017","100.782","0.0017","107.775","0.0015","1937.3","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H53 O0.5 Sn -","- C46 H53 O0.5 Sn -","- C92 H106 O Sn2 -","2","1","","Zou, Wenxing; Mears, Kristian; Fettinger, James C.; Power, Philip P.","Sn(II)–Carbon Bond Reactivity: Radical Generation and Consumption via Reactions of a Stannylene with Alkynes","Chemical Communications","2023","","","","","10.1039/D3CC04014C","","","0.71073","MoKα","","0.0289","0.0252","","","0.0613","0.0632","","","","","","1.044","","","","has coordinates,has disorder","286849","2023-10-09","21:54:41",""
"7132184","8.9426","0.0003","18.2781","0.0004","14.4279","0.0004","90","","90.619","0.002","90","","2358.16","0.11","140","","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl2 N O3 -","- C27 H21 Cl2 N O3 -","- C108 H84 Cl8 N4 O12 -","4","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0816","0.0547","","","0.1424","0.1627","","","","","","1.058","","","","has coordinates","286850","2023-10-09","21:56:32",""
"7132185","3.8714","0.0001","11.4217","0.0003","26.3704","0.0006","90","","89.998","0.002","90","","1166.05","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N -","- C13 H9 Cl2 N -","- C52 H36 Cl8 N4 -","4","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0511","0.0453","","","0.1318","0.1394","","","","","","1.062","","","","has coordinates","286850","2023-10-09","21:56:33",""
"7132186","6.7453","0.0002","16.8984","0.0003","18.0463","0.0004","93.589","0.002","94.776","0.002","99.891","0.002","2013.19","0.08","140","","140","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C108 H84 N4 O12 -","4","2","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0652","0.0511","","","0.1363","0.1477","","","","","","1.066","","","","has coordinates","286850","2023-10-09","21:56:33",""
"7132187","8.7994","0.0001","10.2996","0.0001","13.0538","0.0002","89.363","0.001","74.703","0.001","82.831","0.001","1131.94","0.02","143","","143","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br N O3 -","- C27 H22 Br N O3 -","- C54 H44 Br2 N2 O6 -","2","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0432","0.041","","","0.1158","0.1177","","","","","","1.106","","","","has coordinates","286850","2023-10-09","21:56:33",""
"7132188","8.5593","0.0002","10.3705","0.0002","13.0745","0.0002","88.679","0.001","74.542","0.002","82.874","0.001","1109.87","0.04","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl N O3 -","- C27 H22 Cl N O3 -","- C54 H44 Cl2 N2 O6 -","2","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0422","0.0396","","","0.1056","0.1076","","","","","","1.106","","","","has coordinates","286850","2023-10-09","21:56:33",""
"7132189","3.9947","0.0002","13.9322","0.0005","9.8346","0.0004","90","","100.133","0.004","90","","538.81","0.04","300","","300","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C26 H20 Cl2 N2 -","2","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0378","0.0357","","","0.1007","0.1033","","","","","","1.053","","","","has coordinates","286850","2023-10-09","21:56:34",""
"7132190","7.3605","0.0004","12.2746","0.0004","12.3726","0.0003","90","","90","","90","","1117.83","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br N -","- C13 H10 Br N -","- C52 H40 Br4 N4 -","4","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0683","0.0554","","","0.1695","0.1832","","","","","","1.081","","","","has coordinates","286850","2023-10-09","21:56:34",""
"7132191","6.4536","0.0001","8.3751","0.0002","16.1607","0.0005","83.149","0.002","86.845","0.002","83.349","0.002","860.65","0.04","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C38 H32 I2 N2 O6 -","2","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0404","0.0399","","","0.1117","0.1121","","","","","","1.074","","","","has coordinates","286850","2023-10-09","21:56:34",""
"7132192","10.9295","0.0009","11.7939","0.0009","17.2156","0.0013","103.951","0.003","106.88","0.003","91.212","0.003","2050.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 F3 O2 -","- C18 H9 F3 O2 -","- C108 H54 F18 O12 -","6","3","","Mondal, Sudeshna; Giri, Chandan Kumar; Baidya, Mahiuddin","Enaminone-directed ruthenium(II)-catalyzed C–H activation and annulation of arenes with diazonaphthoquinones for polycyclic benzocoumarins","Chemical Communications","2023","","","","","10.1039/D3CC03999D","","","0.71073","MoKα","","0.2058","0.1169","","","0.2837","0.3493","","","","","","1.119","","","","has coordinates,has disorder","286851","2023-10-09","21:57:43",""
"7132193","11.3183","0.0006","28.7569","0.001","12.7846","0.0006","90","","109.119","0.005","90","","3931.6","0.3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 F6 P S16 Se4 -","- C24 H16 F6 P S16 Se4 -","- C96 H64 F24 P4 S64 Se16 -","4","0.5","","kinoshita, Naoya; Maruyama, Atsuya; Shirahata, Takashi; Naito, Toshio; Misaki, Yohji","A Triad Molecular Conductor: Simultaneous Control of Charge and Molecular Arrangements","Chemical Communications","2023","","","","","10.1039/D3CC03198E","","x-ray","0.71073","MoKα","","0.067","0.0446","","","0.0982","0.1063","","","","","","1.023","","","","has coordinates","286877","2023-10-10","21:56:20",""
"7132194","11.1972","0.0004","28.549","0.001","12.5806","0.0006","90","","110.047","0.004","90","","3778","0.3","50","","50","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 F6 P S16 Se4 -","- C24 H16 F6 P S16 Se4 -","- C96 H64 F24 P4 S64 Se16 -","4","0.5","","kinoshita, Naoya; Maruyama, Atsuya; Shirahata, Takashi; Naito, Toshio; Misaki, Yohji","A Triad Molecular Conductor: Simultaneous Control of Charge and Molecular Arrangements","Chemical Communications","2023","","","","","10.1039/D3CC03198E","","x-ray","0.71073","MoKα","","0.0587","0.0459","","","0.0979","0.1028","","","","","","1.089","","","","has coordinates","286877","2023-10-10","21:56:20",""
"7132195","11.2465","0.0005","28.5788","0.0011","12.6059","0.0006","90","","110.051","0.005","90","","3806.1","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 F6 P S16 Se4 -","- C24 H16 F6 P S16 Se4 -","- C96 H64 F24 P4 S64 Se16 -","4","0.5","","kinoshita, Naoya; Maruyama, Atsuya; Shirahata, Takashi; Naito, Toshio; Misaki, Yohji","A Triad Molecular Conductor: Simultaneous Control of Charge and Molecular Arrangements","Chemical Communications","2023","","","","","10.1039/D3CC03198E","","x-ray","0.71073","MoKα","","0.061","0.0475","","","0.0892","0.0934","","","","","","1.122","","","","has coordinates","286877","2023-10-10","21:56:20",""
"7132196","11.2588","0.0003","28.5988","0.0006","12.6211","0.0003","90","","109.992","0.003","90","","3818.96","0.17","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 F6 P S16 Se4 -","- C24 H16 F6 P S16 Se4 -","- C96 H64 F24 P4 S64 Se16 -","4","0.5","","kinoshita, Naoya; Maruyama, Atsuya; Shirahata, Takashi; Naito, Toshio; Misaki, Yohji","A Triad Molecular Conductor: Simultaneous Control of Charge and Molecular Arrangements","Chemical Communications","2023","","","","","10.1039/D3CC03198E","","x-ray","0.71073","MoKα","","0.04","0.0347","","","0.0903","0.093","","","","","","1.029","","","","has coordinates","286877","2023-10-10","21:56:20",""
"7132197","5.4793","0.0002","11.098","0.0004","12.6043","0.0004","113.894","0.003","94.988","0.003","92.07","0.003","695.97","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Woelk, Kyla; Dhake, Kushal; Schley, Nathan D.; Leitch, David","Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC04234K","","x-ray","1.54184","CuKα","","0.0373","0.0353","","","0.09","0.092","","","","","","1.026","","","","has coordinates","286878","2023-10-10","21:57:07",""
"7132198","6.8191","0.0004","10.95","0.0008","12.1182","0.001","85.949","0.006","78.293","0.006","80.362","0.006","872.9","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Woelk, Kyla; Dhake, Kushal; Schley, Nathan D.; Leitch, David","Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC04234K","","x-ray","1.54184","CuKα","","0.0858","0.0722","","","0.1978","0.2161","","","","","","1.043","","","","has coordinates,has disorder","286878","2023-10-10","21:57:07",""
"7132199","15.9398","0.0002","12.0803","0.0002","16.6377","0.0003","90","","90","","90","","3203.72","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C144 H192 N16 O24 -","8","1","","Woelk, Kyla; Dhake, Kushal; Schley, Nathan D.; Leitch, David","Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC04234K","","x-ray","1.54184","CuKα","","0.0414","0.0388","","","0.0926","0.0952","","","","","","1.043","","","","has coordinates","286878","2023-10-10","21:57:07",""
"7132200","12.3744","0.0005","16.8795","0.0005","19.4847","0.0008","66.889","0.003","79.115","0.003","85.113","0.003","3675.6","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H70 F24 N6 P4 -","- C82 H70 F24 N6 P4 -","- C164 H140 F48 N12 P8 -","2","1","","Roy, Debojyoti; Paul, Sunandita; Dasgupta, Jyotishman","Visible light-mediated C(sp3)-H bond functionalization inside an all-organic nanocavity","Chemical Communications","2023","","","","","10.1039/D3CC03987K","","x-ray","0.71073","MoKα","","0.1144","0.0622","","","0.1606","0.1917","","","","","","1.039","","","","has coordinates","286880","2023-10-10","21:57:51",""
"7132201","8.8924","0.0016","13.793","0.003","14.286","0.003","113.979","0.013","90.289","0.014","93.083","0.014","1598","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H27 Br N2 -","- C14 H27 Br N2 -","- C56 H108 Br4 N8 -","4","2","","Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne","Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents","Chemical Communications","2023","","","","","10.1039/D3CC03525E","","x-ray","1.54186","CuKα","","0.0875","0.0602","","","0.1581","0.175","","","","","","1.006","","","","has coordinates","286881","2023-10-10","21:59:29",""
"7132202","19.9274","0.0011","19.9274","0.0011","26.2914","0.0018","90","","90","","90","","10440.3","1.1","100","","100","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H88 N8 O4 S20 Sn10 -","- C48 H88 N8 O4 S20 Sn10 -","- C192 H352 N32 O16 S80 Sn40 -","4","0.25","","Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne","Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents","Chemical Communications","2023","","","","","10.1039/D3CC03525E","","x-ray","1.54186","CuKα","","0.0442","0.0371","","","0.0922","0.0944","","","","","","0.936","","","","has coordinates","286881","2023-10-10","21:59:29",""
"7132203","18.7606","0.0017","20.0088","0.0019","21.1091","0.0019","99.505","0.007","115.794","0.007","110.29","0.007","6205.5","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H97.34 N8 O4 S20 Sn10 -","- C68.5 H97.3333 N8 O4 S20 Sn10 -","- C137 H194.667 N16 O8 S40 Sn20 -","2","1","","Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne","Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents","Chemical Communications","2023","","","","","10.1039/D3CC03525E","","x-ray","1.54186","CuKα","","0.0822","0.0456","","","0.123","0.1346","","","","","","0.842","","","","has coordinates,has disorder","286881","2023-10-10","21:59:29",""
"7132204","19.5954","0.0004","19.2861","0.0005","19.7915","0.0005","99.744","0.002","112.258","0.002","110.568","0.002","6073.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49.67 H56.06 N8 O4 S20 Sn10 -","- C49.664 H56.06 N8 O4 S20 Sn10 -","- C99.328 H112.12 N16 O8 S40 Sn20 -","2","1","","Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne","Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents","Chemical Communications","2023","","","","","10.1039/D3CC03525E","","x-ray","1.54186","CuKα","","0.0938","0.0524","","","0.1507","0.1632","","","","","","0.824","","","","has coordinates,has disorder","286881","2023-10-10","21:59:30",""
"7132205","15.8322","0.0006","13.7887","0.0004","10.6237","0.0004","90","","92.72","0.004","90","","2316.6","0.14","113","2","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F3 O6 -","- C28 H21 F3 O6 -","- C112 H84 F12 O24 -","4","1","","Lai, Jingxiong; Huang, You","Phosphine-catalyzed Formal Buchner [6+1] Annulation: De Novo Construction of Cycloheptatrienes","Chemical Communications","2023","","","","","10.1039/D3CC04905A","","x-ray","0.71073","MoKα","","0.0583","0.0485","","","0.1189","0.1281","","","","","","1.048","","","","has coordinates,has disorder","286930","2023-10-12","22:00:05",""
"7132206","12.2934","0.0005","14.3475","0.0005","9.7444","0.0004","90","","90","","90","","1718.71","0.12","296","2","296.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 N O4 -","- C18 N O4 -","- C72 N4 O16 -","4","1","","Mondal, Swati Lekha; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Brønsted acid-catalyzed annulation reaction of hydroxamic acids: synthesis of cyclopentane-fused isoxazolidines and their benzilic amide rearrangement","Chemical Communications","2023","","","","","10.1039/D3CC03810F","","","0.71073","MoKα","","0.0755","0.0672","","","0.1701","0.1746","","","","","","1.6691","","","","has coordinates","286931","2023-10-12","22:00:46",""
"7132207","26.239","0.005","14.599","0.003","10.4681","0.0018","90","","112.952","0.008","90","","3692.5","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C152 H216 N8 O32 -","8","1","","Mondal, Swati Lekha; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Brønsted acid-catalyzed annulation reaction of hydroxamic acids: synthesis of cyclopentane-fused isoxazolidines and their benzilic amide rearrangement","Chemical Communications","2023","","","","","10.1039/D3CC03810F","","","1.54178","CuKα","","0.0557","0.0453","","","0.1286","0.1419","","","","","","1.078","","","","has coordinates,has disorder","286931","2023-10-12","22:00:47",""
"7132208","10.591","0.006","42.48","0.03","15.387","0.008","90","","90","","90","","6923","7","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Ferrocenyl","2,2'-(Sulfinylbis(anthracene-10,9-diyl))diferrocene","","- C48 H34 Fe2 O S -","- C48 H34 Fe2 O S -","- C384 H272 Fe16 O8 S8 -","8","1","","Removski, Nicole; Wolf, Michael O.","The unexpected effect of ferrocenyl substituents on the photochemistry of dianthryl sulfoxides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04345b","","","0.71073","MoKα","","0.0979","0.0776","","","0.1778","0.1902","","","","","","1.093","","","","has coordinates,has disorder","286962","2023-10-13","21:54:27",""
"7132209","10.024","0.002","14.043","0.003","12.112","0.002","90","","97.624","0.006","90","","1689.9","0.6","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ferrocenyl","9-Bromo-10-ferrocenylanthracene","","- C24 H17 Br Fe -","- C24 H17 Br Fe -","- C96 H68 Br4 Fe4 -","4","1","","Removski, Nicole; Wolf, Michael O.","The unexpected effect of ferrocenyl substituents on the photochemistry of dianthryl sulfoxides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04345b","","","0.71073","MoKα","","0.0292","0.0226","","","0.0513","0.0538","","","","","","1.038","","","","has coordinates","286962","2023-10-13","21:54:28",""
"7132210","8.78319","0.00006","10.61767","0.00007","9.51916","0.00006","90","","114.958","0.0008","90","","804.83","0.011","123.15","","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N5 O3 -","- C16 H17 N5 O3 -","- C32 H34 N10 O6 -","2","1","","Watanabe, Shunsuke; Wada, Yuki; Kawano, Masaki; Higashibayashi, Shuhei; Sugai, Takeshi; Hanaya, Kengo","Selective modification of tryptophan in polypeptides <i>via</i> C-N coupling with azoles using <i>in situ</i>-generated iodine-based oxidants in aqueous media.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03731b","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0672","0.0674","","","","","","1.051","","","","has coordinates","286986","2023-10-16","21:55:06",""
"7132211","13.4882","0.0003","12.8733","0.0003","15.4391","0.0003","90","","97.786","0.002","90","","2656.09","0.1","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 Cl3 F24 I2 N6 O20 S8 -","- C21 H9 Cl3 F24 I2 N6 O20 S8 -","- C42 H18 Cl6 F48 I4 N12 O40 S16 -","2","0.5","","Dutton, Jason Laurence; Barwise, Lachlan; Bennetts, Jason; White, Keith Forrest","ArI(NTf2)2: The boundary of oxidative capacity for ArIL2?","Chemical Communications","2023","","","","","10.1039/D3CC04563C","","x-ray","1.54184","CuKα","","0.0376","0.0338","","","0.0829","0.0849","","","","","","1.053","","","","has coordinates","286987","2023-10-16","21:55:35",""
"7132212","9.4316","0.0004","11.7393","0.0006","13.1695","0.0007","91.699","0.002","107.07","0.001","110.878","0.001","1287.58","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 B9 N4 Se2 -","- C18 H33 B9 N4 Se2 -","- C36 H66 B18 N8 Se4 -","2","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang","Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions","Chemical Communications","2023","","","","","10.1039/D3CC04338J","","x-ray","0.71073","MoKα","","0.0535","0.0353","","","0.0817","0.0934","","","","","","1.072","","","","has coordinates","287002","2023-10-17","21:55:40",""
"7132213","8.1541","0.0012","22.026","0.003","8.3513","0.0011","90","","114.634","0.004","90","","1363.4","0.3","300","2","300","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H32 B10 N4 Te2 -","- C18 H32 B10 N4 Te2 -","- C36 H64 B20 N8 Te4 -","2","0.5","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang","Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions","Chemical Communications","2023","","","","","10.1039/D3CC04338J","","x-ray","0.71073","MoKα","","0.1617","0.0594","","","0.0929","0.1172","","","","","","0.978","","","","has coordinates","287002","2023-10-17","21:55:41",""
"7132214","11.85","0.0007","12.0645","0.0008","18.8033","0.0012","90","","105.424","0.003","90","","2591.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 B9 I2 N2 O -","- C17 H31 B9 I2 N2 O -","- C68 H124 B36 I8 N8 O4 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang","Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions","Chemical Communications","2023","","","","","10.1039/D3CC04338J","","x-ray","0.71073","MoKα","","0.0961","0.0469","","","0.089","0.1067","","","","","","1.032","","","","has coordinates,has disorder","287002","2023-10-17","21:55:43",""
"7132215","6.8598","0.0004","9.2021","0.0005","17.6583","0.001","91.921","0.002","91.798","0.002","95.622","0.002","1108.01","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H26 B10 N2 Te -","- C15 H26 B10 N2 Te -","- C30 H52 B20 N4 Te2 -","2","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang","Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions","Chemical Communications","2023","","","","","10.1039/D3CC04338J","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.0615","0.0633","","","","","","1.087","","","","has coordinates","287002","2023-10-17","21:55:44",""
"7132216","8.393","0.0009","19.778","0.003","15.5018","0.0015","90","","98.526","0.005","90","","2544.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B10 N2 Te2 -","- C16 H28 B10 N2 Te2 -","- C64 H112 B40 N8 Te8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang","Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions","Chemical Communications","2023","","","","","10.1039/D3CC04338J","","x-ray","0.71073","MoKα","","0.086","0.0623","","","0.1926","0.2116","","","","","","1.065","","","","has coordinates,has disorder","287002","2023-10-17","21:55:44",""
"7132217","9.3394","0.0005","11.3297","0.0007","13.5356","0.0008","99.442","0.005","104.072","0.005","91.385","0.005","1367.36","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Br N2 P -","- C28 H26 Br N2 P -","- C56 H52 Br2 N4 P2 -","2","1","","Garg, Richa; Anjum, Farhan; Salam, Abdul; Kaushik, Kush; Sharma, Shagun; Sahrawat, Udisha; Yadav, Aditya; Nandi, Chayan Kanti","Tracking Super Resolved Structure of Mitochondria using Red Emissive Carbon Nanodots as Fluorescent Biomarker","Chemical Communications","2023","","","","","10.1039/D3CC03390B","","x-ray","1.54184","CuKα","","0.085","0.0737","","","0.2253","0.2422","","","","","","1.06","","","","has coordinates","287003","2023-10-17","21:56:26",""
"7132218","15.5405","0.0007","17.0281","0.0008","19.4276","0.0009","97.573","0.002","102.34","0.002","102.145","0.002","4825","0.4","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C104 H120 Br Cl F4 N8 O2 S4 -","- C104 H120 Br Cl F4 N8 O2 S4 -","- C208 H240 Br2 Cl2 F8 N16 O4 S8 -","2","1","","Liang, Huazhe; Chen, Hongbin; Zou, Yalu; Zhang, Yunxin; Guo, Yaxiao; Cao, Xiangjian; Bi, Xingqi; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Central Units Hetero Di-Halogenation of Acceptors Enable Organic Solar Cells with 19% Efficiency","Chemical Communications","2023","","","","","10.1039/D3CC04570F","","x-ray","1.34139","GaKα","","0.1824","0.1507","","","0.3371","0.3506","","","","","","1.179","","","","has coordinates,has disorder","287004","2023-10-17","21:57:18",""
"7132219","15.4718","0.001","16.9744","0.0011","19.3717","0.0014","97.639","0.004","102.085","0.004","102.177","0.003","4778.6","0.6","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C104 H120 Cl F5 N8 O2 S4 -","- C104 H120 Cl F5 N8 O2 S4 -","- C208 H240 Cl2 F10 N16 O4 S8 -","2","1","","Liang, Huazhe; Chen, Hongbin; Zou, Yalu; Zhang, Yunxin; Guo, Yaxiao; Cao, Xiangjian; Bi, Xingqi; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Central Units Hetero Di-Halogenation of Acceptors Enable Organic Solar Cells with 19% Efficiency","Chemical Communications","2023","","","","","10.1039/D3CC04570F","","x-ray","1.34139","GaKα","","0.2517","0.1609","","","0.3633","0.4037","","","","","","1.033","","","","has coordinates,has disorder","287004","2023-10-17","21:57:19",""
"7132220","15.5041","0.001","17.1702","0.0012","19.2705","0.0012","96.957","0.003","102.674","0.002","102.055","0.003","4819.1","0.6","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C104 H120 Br F5 N8 O2 S4 -","- C104 H120 Br F5 N8 O2 S4 -","- C208 H240 Br2 F10 N16 O4 S8 -","2","1","","Liang, Huazhe; Chen, Hongbin; Zou, Yalu; Zhang, Yunxin; Guo, Yaxiao; Cao, Xiangjian; Bi, Xingqi; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Central Units Hetero Di-Halogenation of Acceptors Enable Organic Solar Cells with 19% Efficiency","Chemical Communications","2023","","","","","10.1039/D3CC04570F","","x-ray","1.34139","GaKα","","0.203","0.1454","","","0.3259","0.3514","","","","","","1.011","","","","has coordinates,has disorder","287004","2023-10-17","21:57:19",""
"7132221","10.2852","0.0002","11.2257","0.0003","17.4566","0.0004","103.431","0.002","92.656","0.002","90.1","0.002","1958.12","0.08","297.44","0.1","297.44","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C84 H80 F12 N4 O16 -","4","2","","Tan, Yongbo; Huang, Huawen","Catalyst- and additive-free cascade radical addition/cyclization of N-arylacrylamides with trifluoropyruvates","Chemical Communications","2023","","","","","10.1039/D3CC04542K","","x-ray","1.54184","CuKα","","0.0503","0.0419","","","0.1183","0.1242","","","","","","1.079","","","","has coordinates","287017","2023-10-18","21:56:04",""
"7132222","17.254","0.0003","13.3169","0.0002","19.1647","0.0004","90","","111.19","0.002","90","","4105.74","0.14","297.47","0.1","297.47","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C168 H160 F24 N8 O32 -","8","2","","Tan, Yongbo; Huang, Huawen","Catalyst- and additive-free cascade radical addition/cyclization of N-arylacrylamides with trifluoropyruvates","Chemical Communications","2023","","","","","10.1039/D3CC04542K","","x-ray","1.54184","CuKα","","0.0478","0.0459","","","0.137","0.1401","","","","","","1.065","","","","has coordinates,has disorder","287017","2023-10-18","21:56:05",""
"7132223","19.8837","0.0005","18.2597","0.0004","27.4771","0.0008","90","","110.529","0.003","90","","9342.6","0.5","123","2","123","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C120 H56 F32 -","- C120 H56 F32 -","- C480 H224 F128 -","4","1","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro","Half-substituted fluorocycloparaphenylenes with high symmetry: Synthesis, properties and derivatization to densely substituted carbon nanorings","Chemical Communications","2023","","","","","10.1039/D3CC04887J","","x-ray","0.71073","MoKα","","0.1261","0.0894","","","0.2678","0.3037","","","","","","1.035","","","","has coordinates,has disorder","287018","2023-10-18","21:57:03",""
"7132224","9.9513","0.0005","10.4272","0.0005","10.5475","0.0005","112.645","0.005","100.614","0.004","109.59","0.004","887.7","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 F12 O2 -","- C43.9944 H27.9888 F12 O1.9986 -","- C43.9944 H27.9888 F12 O1.9986 -","1","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro","Half-substituted fluorocycloparaphenylenes with high symmetry: Synthesis, properties and derivatization to densely substituted carbon nanorings","Chemical Communications","2023","","","","","10.1039/D3CC04887J","","x-ray","0.71073","MoKα","","0.1062","0.0816","","","0.2272","0.2456","","","","","","1.061","","","","has coordinates,has disorder","287018","2023-10-18","21:57:04",""
"7132225","19.1737","0.0008","23.2224","0.0007","25.1475","0.0012","90","","104.363","0.005","90","","10847.2","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C136 H120 N16 -","- C136 H120 N16 -","- C544 H480 N64 -","4","1","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro","Half-substituted fluorocycloparaphenylenes with high symmetry: Synthesis, properties and derivatization to densely substituted carbon nanorings","Chemical Communications","2023","","","","","10.1039/D3CC04887J","","x-ray","0.71073","MoKα","","0.1987","0.108","","","0.281","0.3371","","","","","","1.027","","","","has coordinates,has disorder","287018","2023-10-18","21:57:04",""
"7132226","7.535","0.0006","14.4032","0.0011","10.8824","0.0008","90","","101.888","0.007","90","","1155.72","0.16","292.61","0.1","292.61","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Huang, Xuan; You, Huichao; Fang, Fang; Wang, Fan; Liu, Zhongquan","A Free Radical Nitration of Olefins with NaNO2/I2O5","Chemical Communications","2023","","","","","10.1039/D3CC04275H","","","0.71073","MoKα","","0.113","0.0647","","","0.1421","0.1772","","","","","","1.027","","","","has coordinates","287019","2023-10-18","21:57:38",""
"7132227","5.5923","0.0004","10.4164","0.0007","14.6091","0.0011","80.515","0.004","85.368","0.004","83.032","0.004","831.56","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H24 F12 N2 -","- C42 H24 F12 N2 -","- C42 H24 F12 N2 -","1","0.5","","Sprachmann, Josefine; Grabicki, Niklas; Möckel, Anna; Maltitz, Jeremy; del Refugio Monroy Gómez, José; Smales, Glen J.; Dumele, Oliver","Substituted Benzophenone Imines for COF Synthesis via Formal Transimination","Chemical Communications","2023","","","","","10.1039/D3CC03735E","","","0.71073","MoKα","","0.0875","0.0547","","","0.1151","0.128","","","","","","1.03","","","","has coordinates","287020","2023-10-18","21:59:20",""
"7132228","9.546","0.0018","15.907","0.003","18.545","0.004","88.246","0.004","81.362","0.004","89.566","0.004","2782.8","1","100","","100.01","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H28 N2 -","- C38 H28 N2 -","- C152 H112 N8 -","4","2","","Sprachmann, Josefine; Grabicki, Niklas; Möckel, Anna; Maltitz, Jeremy; del Refugio Monroy Gómez, José; Smales, Glen J.; Dumele, Oliver","Substituted Benzophenone Imines for COF Synthesis via Formal Transimination","Chemical Communications","2023","","","","","10.1039/D3CC03735E","","x-ray","0.71073","MoKα","","0.3014","0.0955","","","0.1513","0.2133","","","","","","0.977","","","","has coordinates","287020","2023-10-18","21:59:31",""
"7132229","17.0198","0.0007","10.765","0.0005","29.1185","0.0011","90","","90","","90","","5335","0.4","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Benzidine(bisfluorenone imine)","MAN-20","","- C38 H24 N2 -","- C38 H24 N2 -","- C304 H192 N16 -","8","1","","Sprachmann, Josefine; Grabicki, Niklas; Möckel, Anna; Maltitz, Jeremy; del Refugio Monroy Gómez, José; Smales, Glen J.; Dumele, Oliver","Substituted Benzophenone Imines for COF Synthesis via Formal Transimination","Chemical Communications","2023","","","","","10.1039/D3CC03735E","","x-ray","0.71073","MoKα","","0.0723","0.0475","","","0.1162","0.1331","","","","","","1.035","","","","has coordinates","287020","2023-10-18","21:59:35",""
"7132230","15.0498","0.0016","16.3256","0.0016","10.718","0.0011","90","","90","","90","","2633.4","0.5","290","2","290","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H13 Br4 F Fe N -","- C5 H13 Br4 F Fe N -","- C40 H104 Br32 F8 Fe8 N8 -","8","1","","Zhang, Haina; Wang, Lingyu; Guo, Wenjing; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid material [Me3NCH2CH2F]FeBr4 exhibits three-step SHG on/off","Chemical Communications","2023","","","","","10.1039/D3CC04700H","","","0.71073","MoKα","","0.0708","0.0567","","","0.1534","0.1612","","","","","","1.057","","","","has coordinates","287021","2023-10-18","22:00:18",""
"7132231","6.8804","0.0011","13.614","0.002","15.219","0.002","90","","90","","90","","1425.6","0.4","320","","320","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H13 Br4 F Fe N -","- C5 H13 Br4 F Fe N -","- C20 H52 Br16 F4 Fe4 N4 -","4","0.5","","Zhang, Haina; Wang, Lingyu; Guo, Wenjing; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid material [Me3NCH2CH2F]FeBr4 exhibits three-step SHG on/off","Chemical Communications","2023","","","","","10.1039/D3CC04700H","","","0.71073","MoKα","","0.1711","0.0741","","","0.2209","0.2916","","","","","","0.958","","","","has coordinates,has disorder","287021","2023-10-18","22:00:18",""
"7132232","11.155","0.007","28.056","0.019","28.151","0.015","90","","90","","90","","8810","9","280.31","","280.31","","","","","","","","","8","I m m m","-I 2 2","71","","","","- C12 H144 K2 Mo20 N4 O130 P12 S20 -","- C12 H24 K2 Mo20 N4 O70 P12 S20 -","- C24 H48 K4 Mo40 N8 O140 P24 S40 -","2","0.125","","Li, Bo; Meng, Yuxi; Liu, Qianqian; Chen, Xinyu; Liu, Xin; Zang, Hong-Ying","The assembly of [Mo2O2S2]2+ based on polydentate phosphonate templates and their proton conductivity","Chemical Communications","2023","","","","","10.1039/D3CC04114J","","x-ray","0.71073","MoKα","K-L~3~","0.0677","0.0485","","","0.1139","0.1207","","","","","","1.076","","","","has coordinates,has disorder","287038","2023-10-19","21:56:26",""
"7132233","29.5373","0.0016","17.6293","0.001","25.0402","0.0013","90","","96.514","0.002","90","","12954.8","1.2","173.01","","173.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 K12 Mo16 N4 O92 P8 S16 -","- C12 H52 K12 Mo16 N4 O92 P8 S16 -","- C48 H208 K48 Mo64 N16 O368 P32 S64 -","4","0.5","","Li, Bo; Meng, Yuxi; Liu, Qianqian; Chen, Xinyu; Liu, Xin; Zang, Hong-Ying","The assembly of [Mo2O2S2]2+ based on polydentate phosphonate templates and their proton conductivity","Chemical Communications","2023","","","","","10.1039/D3CC04114J","","x-ray","0.71073","MoKα","K-L~3~","0.0653","0.0499","","","0.1198","0.1317","","","","","","1.055","","","","has coordinates,has disorder","287038","2023-10-19","21:56:27",""
"7132234","12.3104","0.0003","21.222","0.0006","15.5022","0.0004","90","","92.111","0.002","90","","4047.22","0.18","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 F K N4 Ni O7 -","- C42 H50 F K N4 Ni O7 -","- C168 H200 F4 K4 N16 Ni4 O28 -","4","1","","Afandiyeva, Medina; Wu, Xijue; Brennessel, William W.; Kadam, Abhishek A.; Kennedy, C. Rose","Secondary-Sphere Preorganization Enables Nickel-Catalyzed Nitrile Hydroboration","Chemical Communications","2023","","","","","10.1039/D3CC04229D","","x-ray","1.54184","CuKα","","0.0856","0.0543","","","0.1318","0.1488","","","","","","1.031","","","","has coordinates","287056","2023-10-20","21:56:36",""
"7132235","23.6932","0.0001","15.819","0.0001","21.8753","0.0001","90","","104.54","0.001","90","","7936.33","0.08","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 B2 D3 N4 Ni O5 -","- C39 H52 B2 D3 N4 Ni O5 -","- C312 H416 B16 D24 N32 Ni8 O40 -","8","1","","Afandiyeva, Medina; Wu, Xijue; Brennessel, William W.; Kadam, Abhishek A.; Kennedy, C. Rose","Secondary-Sphere Preorganization Enables Nickel-Catalyzed Nitrile Hydroboration","Chemical Communications","2023","","","","","10.1039/D3CC04229D","","x-ray","1.54184","CuKα","","0.034","0.0318","","","0.0789","0.0801","","","","","","1.063","","","","has coordinates,has disorder","287056","2023-10-20","21:56:36",""
"7132236","11.2085","0.00011","30.7037","0.0003","11.62735","0.00012","90","","98.8823","0.0009","90","","3953.48","0.07","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 D3 F K N5 Ni O7 -","- C38 H44 D3 F K N5 Ni O7 -","- C152 H176 D12 F4 K4 N20 Ni4 O28 -","4","1","","Afandiyeva, Medina; Wu, Xijue; Brennessel, William W.; Kadam, Abhishek A.; Kennedy, C. Rose","Secondary-Sphere Preorganization Enables Nickel-Catalyzed Nitrile Hydroboration","Chemical Communications","2023","","","","","10.1039/D3CC04229D","","x-ray","1.54184","CuKα","","0.0442","0.0365","","","0.0946","0.0985","","","","","","1.071","","","","has coordinates","287056","2023-10-20","21:56:37",""
"7132237","15.0133","0.0001","10.924","0.0001","25.6552","0.0002","90","","99.014","0.001","90","","4155.63","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 D6 K N4 Ni O7 -","- C42 H51 D6 K N4 Ni O7 -","- C168 H204 D24 K4 N16 Ni4 O28 -","4","1","","Afandiyeva, Medina; Wu, Xijue; Brennessel, William W.; Kadam, Abhishek A.; Kennedy, C. Rose","Secondary-Sphere Preorganization Enables Nickel-Catalyzed Nitrile Hydroboration","Chemical Communications","2023","","","","","10.1039/D3CC04229D","","x-ray","1.54184","CuKα","","0.0384","0.0351","","","0.0888","0.0907","","","","","","1.106","","","","has coordinates","287056","2023-10-20","21:56:37",""
"7132238","15.3214","0.0001","11.9352","0.0001","25.5908","0.0001","90","","94.516","0.001","90","","4665.11","0.05","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H45 D12 K N4 Ni O7 -","- C48 H45 D12 K N4 Ni O7 -","- C192 H180 D48 K4 N16 Ni4 O28 -","4","1","","Afandiyeva, Medina; Wu, Xijue; Brennessel, William W.; Kadam, Abhishek A.; Kennedy, C. Rose","Secondary-Sphere Preorganization Enables Nickel-Catalyzed Nitrile Hydroboration","Chemical Communications","2023","","","","","10.1039/D3CC04229D","","x-ray","1.54184","CuKα","","0.0347","0.0317","","","0.0795","0.0812","","","","","","1.062","","","","has coordinates,has disorder","287056","2023-10-20","21:56:37",""
"7132239","33.701","0.004","33.701","0.004","106.519","0.012","90","","90","","120","","104772","2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C621.5 H950.5 Ba16 N44.5 O180.5 -","- C536.718 H560.436 Ba16 N18.906 O174.812 -","- C3220.31 H3362.62 Ba96 N113.436 O1048.87 -","6","0.166667","","Sikligar, Kanishka; Kelley, Steven Paul; Baker, Gary A.; Atwood, Jerry L.","Hierarchical 2D honeycomb-like network from barium-seamed nanocapsules","Chemical Communications","2023","","","","","10.1039/D3CC03374K","","","0.71073","MoKα","","0.2102","0.1337","","","0.313","0.3845","","","","","","1.08","","","","has coordinates,has disorder","287057","2023-10-20","21:58:21",""
"7132240","19.8713","0.0004","6.4062","0.0001","24.5625","0.0004","90","","106.679","0.002","90","","2995.24","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","salt of 4-chlorobenzoic acid and 4-(2-aminoethyl)morpholine)","","","- C13 H19 Cl N2 O3 -","- C13 H19 Cl N2 O3 -","- C104 H152 Cl8 N16 O24 -","8","2","","Stolar, Tomislav; Alić, Jasna; Talajić, Gregor; Cindro, Nikola; Rubčić, Mirta; Molcanov, Kresimir; Užarević, Krunoslav; Hernández, José G.","Supramolecular intermediates in thermo-mechanochemical direct amidations","Chemical Communications","2023","","","","","10.1039/D3CC04448C","","x-ray","1.54184","CuKα","","0.0537","0.0504","","","0.1416","0.1444","","","","","","1.055","","","","has coordinates","287058","2023-10-20","21:59:19",""
"7132241","11.5963","0.0002","6.3163","0.0001","25.5385","0.0005","90","","92.362","0.002","90","","1869","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Stolar, Tomislav; Alić, Jasna; Talajić, Gregor; Cindro, Nikola; Rubčić, Mirta; Molcanov, Kresimir; Užarević, Krunoslav; Hernández, José G.","Supramolecular intermediates in thermo-mechanochemical direct amidations","Chemical Communications","2023","","","","","10.1039/D3CC04448C","","","1.54184","CuKα","","0.0613","0.0564","","","","0.1602","","","","","","0.938","","","","has coordinates","287058","2023-10-20","21:59:19",""
"7132242","16.3249","0.0003","6.1159","0.0001","21.4268","0.0003","90","","91.637","0.001","90","","2138.41","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N3 O8 -","- C49 H51 N3 O8 -","- C98 H102 N6 O16 -","2","0.5","","Stolar, Tomislav; Alić, Jasna; Talajić, Gregor; Cindro, Nikola; Rubčić, Mirta; Molcanov, Kresimir; Užarević, Krunoslav; Hernández, José G.","Supramolecular intermediates in thermo-mechanochemical direct amidations","Chemical Communications","2023","","","","","10.1039/D3CC04448C","","","1.54184","CuKα","","0.0563","0.052","","","","0.1495","","","","","","1.081","","","","has coordinates","287058","2023-10-20","21:59:19",""
"7132243","19.215","0.002","8.7897","0.0009","24.398","0.003","90","","92.331","0.013","90","","4117.3","0.8","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 B2 F4 N5 -","- C20 H21 B2 F4 N5 -","- C160 H168 B16 F32 N40 -","8","2","","Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong","Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification","Chemical Communications","2023","","","","","10.1039/D3CC04727J","","","1.54178","CuKα","","0.0806","0.0504","","","0.1212","0.1353","","","","","","0.938","","","","has coordinates","287074","2023-10-23","21:56:03",""
"7132244","7.1853","0.0002","15.9545","0.0005","16.808","0.0005","90","","90","","90","","1926.83","0.1","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B4 F8 N10 -","- C36 H34 B4 F8 N10 -","- C72 H68 B8 F16 N20 -","2","0.5","","Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong","Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification","Chemical Communications","2023","","","","","10.1039/D3CC04727J","","","1.54178","CuKα","","0.0495","0.047","","","0.1158","0.1182","","","","","","1.1","","","","has coordinates","287074","2023-10-23","21:56:03",""
"7132245","7.1889","0.0007","15.9463","0.0016","16.8015","0.0015","90","","90","","90","","1926.1","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 B2 F4 N5 -","- C18 H17 B2 F4 N5 -","- C72 H68 B8 F16 N20 -","4","1","","Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong","Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification","Chemical Communications","2023","","","","","10.1039/D3CC04727J","","","1.54178","CuKα","","0.0789","0.0553","","","0.1336","0.1504","","","","","","0.954","","","","has coordinates","287074","2023-10-23","21:56:04",""
"7132246","9.901","0.0006","7.1701","0.0004","10.0087","0.0006","90","","109.195","0.002","90","","671.03","0.07","305","2","305","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 N8 O11 -","- C7 H6 N8 O11 -","- C14 H12 N16 O22 -","2","1","","Bhatia, Prachi; Pandey, Krishna; Das, Priyanka; Kumar, Dheeraj","Bis(dinitropyrazolyl)methanes spruced up with hydroxyl group: High performance energetic salts with reduced sensitivity","Chemical Communications","2023","","","","","10.1039/D3CC04445A","","","0.71073","MoKα","","0.0331","0.0309","","","0.0925","0.0963","","","","","","0.794","","","","has coordinates","287075","2023-10-23","21:57:00",""
"7132247","32.034","0.003","5.3339","0.0005","29.714","0.003","90","","121.034","0.003","90","","4350.4","0.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 N20 O10 -","- C11 H16 N20 O10 -","- C88 H128 N160 O80 -","8","1","","Bhatia, Prachi; Pandey, Krishna; Das, Priyanka; Kumar, Dheeraj","Bis(dinitropyrazolyl)methanes spruced up with hydroxyl group: High performance energetic salts with reduced sensitivity","Chemical Communications","2023","","","","","10.1039/D3CC04445A","","","0.71073","MoKα","","0.0579","0.0418","","","0.0958","0.1082","","","","","","1.0708","","","","has coordinates","287075","2023-10-23","21:57:00",""
"7132248","10.663","0.003","8.316","0.003","13.502","0.004","90","","98.809","0.005","90","","1183.1","0.6","270","2","270","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Wang, Ping; Tong, Yu-Qiao; Yin, Shi Qing; Gu, Qian Jun; Huang, Bo; Zhu, Ai-Xin","Exceptional structural phase transition near room temperature in an organic-inorganic hybrid ferroelectric","Chemical Communications","2023","","","","","10.1039/D3CC04186G","","","0.71073","MoKα","","0.0248","0.0243","","","0.0599","0.0602","","","","","","1.034","","","","has coordinates","287090","2023-10-24","21:56:11",""
"7132249","10.8622","0.0009","8.4041","0.0007","27.147","0.002","90","","98.605","0.003","90","","2450.3","0.3","330","2","330.4","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C64 H96 Hg4 I16 N8 -","4","1","","Wang, Ping; Tong, Yu-Qiao; Yin, Shi Qing; Gu, Qian Jun; Huang, Bo; Zhu, Ai-Xin","Exceptional structural phase transition near room temperature in an organic-inorganic hybrid ferroelectric","Chemical Communications","2023","","","","","10.1039/D3CC04186G","","","0.71073","MoKα","","0.082","0.0416","","","0.083","0.1017","","","","","","1.008","","","","has coordinates,has disorder","287090","2023-10-24","21:56:12",""
"7132250","9.33774","0.00013","12.11111","0.00016","12.88123","0.00017","90","","106.445","0.0014","90","","1397.15","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N O3 -","- C17 H12 Cl N O3 -","- C68 H48 Cl4 N4 O12 -","4","1","","Zhan, Huilin; Chen, Bin; Zhu, Biao; Li, Xiang; Han, Zhengyu; Sun, Jianwei; Huang, Hai","Construction of 5-Methyleneoxazolidine-2,4-diones Bearing Modifiable Halogen Groups through a Halopalladation Strategy","Chemical Communications","2023","","","","","10.1039/D3CC04475K","","x-ray","1.54184","CuKα","","0.0293","0.0273","","","0.0726","0.0738","","","","","","1.039","","","","has coordinates","287091","2023-10-24","21:56:50",""
"7132251","19.868","0.001","8.3809","0.0004","16.6626","0.0009","90","","116.258","0.0014","90","","2488.2","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 N2 O6 -","- C32 H20 N2 O6 -","- C128 H80 N8 O24 -","4","0.5","","Zhan, Huilin; Chen, Bin; Zhu, Biao; Li, Xiang; Han, Zhengyu; Sun, Jianwei; Huang, Hai","Construction of 5-Methyleneoxazolidine-2,4-diones Bearing Modifiable Halogen Groups through a Halopalladation Strategy","Chemical Communications","2023","","","","","10.1039/D3CC04475K","","","0.71073","MoKα","","0.045","0.0367","","","0.0895","0.0951","","","","","","1.031","","","","has coordinates","287091","2023-10-24","21:56:50",""
"7132252","11.7963","0.0007","8.283","0.0004","15.9743","0.001","90","","105.775","0.002","90","","1502.04","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Ghorai, Debraj; Das, Kanak Kanti; Panda, Santanu ​","Carbonyl Group Directed Synthesis of 3-Boryl-3-Substituted Vinyl Oxindoles and Tetrasubstituted β-Borylenones","Chemical Communications","2023","","","","","10.1039/D3CC04788A","","","0.71073","MoKα","","0.0816","0.0605","","","0.1654","0.1937","","","","","","1.042","","","","has coordinates","287092","2023-10-24","21:57:46",""
"7132253","8.6631","0.0004","13.5282","0.0006","35.323","0.0015","90","","90","","90","","4139.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 B N O4 -","- C20 H28 B N O4 -","- C160 H224 B8 N8 O32 -","8","1","","Ghorai, Debraj; Das, Kanak Kanti; Panda, Santanu ​","Carbonyl Group Directed Synthesis of 3-Boryl-3-Substituted Vinyl Oxindoles and Tetrasubstituted β-Borylenones","Chemical Communications","2023","","","","","10.1039/D3CC04788A","","","0.71073","MoKα","","0.0885","0.0677","","","0.1685","0.1817","","","","","","1.122","","","","has coordinates","287092","2023-10-24","21:57:46",""
"7132254","9.004","0.012","9.504","0.011","18.11","0.02","90","","94.2","0.03","90","","1546","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Ghorai, Debraj; Das, Kanak Kanti; Panda, Santanu ​","Carbonyl Group Directed Synthesis of 3-Boryl-3-Substituted Vinyl Oxindoles and Tetrasubstituted β-Borylenones","Chemical Communications","2023","","","","","10.1039/D3CC04788A","","","0.71073","MoKα","","0.0993","0.0558","","","0.1427","0.1661","","","","","","1.048","","","","has coordinates","287092","2023-10-24","21:57:46",""
"7132255","8.867","0.003","11.445","0.004","12.457","0.004","102.292","0.011","95.249","0.014","98.197","0.011","1212.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 B N O3 -","- C27 H34 B N O3 -","- C54 H68 B2 N2 O6 -","2","1","","Ghorai, Debraj; Das, Kanak Kanti; Panda, Santanu ​","Carbonyl Group Directed Synthesis of 3-Boryl-3-Substituted Vinyl Oxindoles and Tetrasubstituted β-Borylenones","Chemical Communications","2023","","","","","10.1039/D3CC04788A","","","0.71073","MoKα","","0.1324","0.0633","","","0.1336","0.1658","","","","","","1.01","","","","has coordinates","287092","2023-10-24","21:57:47",""
"7132256","12.4793","0.0001","14.1126","0.0002","16.1478","0.0002","71.23","0.001","82.932","0.001","79.863","0.001","2643.86","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","C61H46B2Cl2F20","","- C61 H46 B2 Cl2 F20 -","- C61 H46 B2 Cl2 F20 -","- C122 H92 B4 Cl4 F40 -","2","1","","Murata, Yukihiro; Özen, Cihan; Maeda, Satoshi; Fukushima, Takanori; Shoji, Yoshiaki","Skeletal rearrangement of a boron-containing annulenic molecule into a macrocycle bridged by an electronically stabilized boron cation","Chemical Communications","2023","","","","","10.1039/D3CC04830F","","x-ray","1.54184","CuKα","","0.0383","0.0337","","","0.0839","0.0863","","","","","","1.0419","","","","has coordinates,has disorder","287093","2023-10-24","21:59:36",""
"7132257","12.2748","0.0002","15.648","0.0002","16.1985","0.0002","103.97","0.001","97.944","0.001","107.094","0.002","2811.6","0.08","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H45 B -","- C36 H45 B -","- C144 H180 B4 -","4","2","","Murata, Yukihiro; Özen, Cihan; Maeda, Satoshi; Fukushima, Takanori; Shoji, Yoshiaki","Skeletal rearrangement of a boron-containing annulenic molecule into a macrocycle bridged by an electronically stabilized boron cation","Chemical Communications","2023","","","","","10.1039/D3CC04830F","","x-ray","1.54184","CuKα","","0.0502","0.0452","","","0.1178","0.1218","","","","","","1.02","","","","has coordinates,has disorder","287093","2023-10-24","21:59:36",""
"7132258","23.31009","0.00011","9.47225","0.00005","24.91264","0.00013","90","","97.6346","0.0005","90","","5451.93","0.05","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 B -","- C36 H45 B -","- C288 H360 B8 -","8","2","","Murata, Yukihiro; Özen, Cihan; Maeda, Satoshi; Fukushima, Takanori; Shoji, Yoshiaki","Skeletal rearrangement of a boron-containing annulenic molecule into a macrocycle bridged by an electronically stabilized boron cation","Chemical Communications","2023","","","","","10.1039/D3CC04830F","","x-ray","1.54184","CuKα","","0.0433","0.0393","","","0.0966","0.0992","","","","","","1.027","","","","has coordinates,has disorder","287093","2023-10-24","21:59:37",""
"7132259","13.5293","0.0007","7.3263","0.0003","19.0986","0.0009","90","","99.741","0.003","90","","1865.75","0.15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N O -","- C11 H11 N O -","- C88 H88 N8 O8 -","8","1","","Altia, Minakshi; Anbarasan, Pazhamalai","An interrupted Heyns rearrangement approach to regioselective synthesis of acylindoles","Chemical Communications","2023","","","","","10.1039/D3CC04144A","","","1.54178","CuKα","","0.0693","0.0568","","","0.1576","0.1763","","","","","","1.065","","","","has coordinates","287094","2023-10-24","22:00:30",""
"7132260","8.6408","0.0005","9.9341","0.0005","10.3685","0.0005","98.203","0.002","101.166","0.002","103.107","0.002","834.05","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C42 H28 Br2 N2 O2 -","2","1","","Altia, Minakshi; Anbarasan, Pazhamalai","An interrupted Heyns rearrangement approach to regioselective synthesis of acylindoles","Chemical Communications","2023","","","","","10.1039/D3CC04144A","","","0.71073","MoKα","","0.039","0.0302","","","0.0727","0.0769","","","","","","1.04","","","","has coordinates","287094","2023-10-24","22:00:30",""
"7132261","7.4062","0.0004","7.8098","0.0005","10.9025","0.0006","101.137","0.002","93.235","0.002","96.394","0.002","612.92","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O -","- C16 H13 N O -","- C32 H26 N2 O2 -","2","1","","Altia, Minakshi; Anbarasan, Pazhamalai","An interrupted Heyns rearrangement approach to regioselective synthesis of acylindoles","Chemical Communications","2023","","","","","10.1039/D3CC04144A","","","0.71073","MoKα","","0.0832","0.0575","","","0.1773","0.2091","","","","","","1.013","","","","has coordinates","287094","2023-10-24","22:00:30",""
"7132262","13.099","0.0009","16.0302","0.0011","10.1789","0.0006","90","","90.324","0.002","90","","2137.3","0.2","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Reddy, Mokilla Ramachandra; Eerappa , Rajakumara; Gedu, Satyanarayana","Transition Metal-Free and Temperature Dependent One-Pot Access to Phenanthrene-Fused Heterocycles via 1,3-Dipolar Cycloaddition Pathway","Chemical Communications","2023","","","","","10.1039/D3CC04473D","","","0.71073","MoKα","","0.0469","0.0364","","","0.0842","0.0912","","","","","","1.066","","","","has coordinates","287112","2023-10-25","21:55:14",""
"7132263","12.556","0.004","4.0074","0.0012","30.397","0.007","90","","96.54","0.008","90","","1519.5","0.8","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl N2 -","- C21 H13 Cl N2 -","- C84 H52 Cl4 N8 -","4","1","","Reddy, Mokilla Ramachandra; Eerappa , Rajakumara; Gedu, Satyanarayana","Transition Metal-Free and Temperature Dependent One-Pot Access to Phenanthrene-Fused Heterocycles via 1,3-Dipolar Cycloaddition Pathway","Chemical Communications","2023","","","","","10.1039/D3CC04473D","","","0.71073","MoKα","","0.1257","0.0568","","","0.1159","0.1448","","","","","","1.015","","","","has coordinates","287112","2023-10-25","21:55:15",""
"7132264","8.8096","0.0004","10.4907","0.0005","16.233","0.0007","94.848","0.002","105.562","0.001","90.87","0.002","1438.95","0.11","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N4 O4 -","- C36 H28 N4 O4 -","- C72 H56 N8 O8 -","2","1","","Reddy, Mokilla Ramachandra; Eerappa , Rajakumara; Gedu, Satyanarayana","Transition Metal-Free and Temperature Dependent One-Pot Access to Phenanthrene-Fused Heterocycles via 1,3-Dipolar Cycloaddition Pathway","Chemical Communications","2023","","","","","10.1039/D3CC04473D","","","0.71073","MoKα","","0.1215","0.0675","","","0.1766","0.2103","","","","","","1.04","","","","has coordinates","287112","2023-10-25","21:55:15",""
"7132265","7.5682","0.0016","11.052","0.004","14.463","0.005","82.913","0.017","86.11","0.02","78.996","0.011","1177.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 B Fe2 N -","- C29 H30 B Fe2 N -","- C58 H60 B2 Fe4 N2 -","2","1","","Zeh, Vivien; Schneider, Johannes Stephan; Bachmann, Jonas; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Poly(ferrocenylene iminoborane): an inorganic–organic hybrid polymer comprising a backbone of moderately interacting ferrocenes","Chemical Communications","2023","","","","","10.1039/D3CC03523A","","","0.71073","MoKα","","0.0324","0.0308","","","0.0809","0.082","","","","","","1.039","","","","has coordinates,has disorder","287125","2023-10-26","21:55:35",""
"7132266","7.4462","0.0012","10.701","0.002","13.3227","0.0019","74.359","0.006","86.801","0.006","76.243","0.006","992.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 B2 Fe3 N2 -","- C48 H50 B2 Fe3 N2 -","- C48 H50 B2 Fe3 N2 -","1","0.5","","Zeh, Vivien; Schneider, Johannes Stephan; Bachmann, Jonas; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Poly(ferrocenylene iminoborane): an inorganic–organic hybrid polymer comprising a backbone of moderately interacting ferrocenes","Chemical Communications","2023","","","","","10.1039/D3CC03523A","","","0.71073","MoKα","","0.036","0.0323","","","0.0767","0.0785","","","","","","1.092","","","","has coordinates","287125","2023-10-26","21:55:36",""
"7132267","21.066","0.011","7.861","0.004","24.097","0.013","90","","95.11","0.03","90","","3975","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 B2 Fe3 N2 -","- C48 H50 B2 Fe3 N2 -","- C192 H200 B8 Fe12 N8 -","4","1","","Zeh, Vivien; Schneider, Johannes Stephan; Bachmann, Jonas; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Poly(ferrocenylene iminoborane): an inorganic–organic hybrid polymer comprising a backbone of moderately interacting ferrocenes","Chemical Communications","2023","","","","","10.1039/D3CC03523A","","x-ray","0.71073","MoKα","K-L~2,3~","0.1032","0.0836","","","0.2023","0.2121","","","","","","1.207","","","","has coordinates","287125","2023-10-26","21:55:37",""
"7132268","9.105","0.004","9.483","0.004","10.167","0.004","97.386","0.006","107.31","0.006","93.704","0.006","826.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H12 F3 N3 -","- C21 H12 F3 N3 -","- C42 H24 F6 N6 -","2","1","","Gao, Qinghe; Guo, Yimei; Cao, Penghui; Fan, Guangping; Xu, Yongtao","Regioselective synthesis of indazolo[2,3-a]quinazolines enabled by I2/S-facilitated annulation relay dehydrogenative aromatization of cyclohexanones","Chemical Communications","2023","","","","","10.1039/D3CC04698B","","","0.71073","MoKα","","0.1035","0.0612","","","0.1736","0.2055","","","","","","1.08","","","","has coordinates","287126","2023-10-26","21:56:06",""
"7132269","5.356","0.0002","10.9666","0.0004","11.071","0.0004","78.447","0.001","76.36","0.001","89.992","0.001","618.38","0.04","100","","100","","","","","","","","","4","P 1","P 1","1","","HL8","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","1","1","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0442","0.0394","","","0.0931","0.0962","","","","","","1.042","","","","has coordinates","287145","2023-10-27","21:55:35",""
"7132270","13.566","0.003","5.0135","0.0009","13.582","0.002","90","","107.667","0.005","90","","880.2","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","HL5","","- C44 H39.2 F2 N4 O4 -","- C44 H39.2 F2 N4 O4 -","- C44 H39.2 F2 N4 O4 -","1","0.5","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.1146","0.0642","","","0.1422","0.1725","","","","","","1.033","","","","has coordinates,has disorder","287145","2023-10-27","21:55:36",""
"7132271","13.596","0.004","5.0457","0.0013","13.851","0.004","90","","105.532","0.009","90","","915.5","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","HL3","","- C2.46 H2.19 Cl0.11 N0.22 O0.22 -","- C2.45556 H2.18889 Cl0.111111 N0.222222 O0.222222 -","- C44.2 H39.4 Cl2 N4 O4 -","18","9","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0652","0.0482","","","0.1125","0.1225","","","","","","1.045","","","","has coordinates,has disorder","287145","2023-10-27","21:55:36",""
"7132272","5.1334","0.0011","17.55","0.004","20.516","0.004","90","","90.216","0.007","90","","1848.3","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","HL4","","- C44 H36 Br2 N4 O4 -","- C44 H36 Br2 N4 O4 -","- C88 H72 Br4 N8 O8 -","2","1","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0766","0.0515","","","0.0946","0.1033","","","","","","1.031","","","","has coordinates","287145","2023-10-27","21:55:36",""
"7132273","9.7339","0.0016","12.884","0.002","20.882","0.004","90","","90","","90","","2618.8","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HL2","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C120 H144 N8 O8 -","4","1","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.05","0.0412","","","0.0969","0.1034","","","","","","1.061","","","","has coordinates","287145","2023-10-27","21:55:36",""
"7132274","13.9547","0.0013","16.5604","0.0016","16.4837","0.0015","90","","100.864","0.003","90","","3741","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Cu(L3)2","","- C22 H17.75 Cl Cu0.5 N2 O2 -","- C22 H17.75 Cl Cu0.5 N2 O2 -","- C176 H142 Cl8 Cu4 N16 O16 -","8","4","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.0503","0.0393","","","0.0829","0.0873","","","","","","1.041","","","","has coordinates","287145","2023-10-27","21:55:36",""
"7132275","24.3756","0.0006","20.6384","0.0004","20.7047","0.0004","90","","90","","90","","10416","0.4","203","2","203","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C106 H146 N16 Tb4 -","- C106 H146 N16 Tb4 -","- C424 H584 N64 Tb16 -","4","0.25","","Mavragani, Niki; Kitos, Alexandros; Galico, Diogo A.; Mansikkamäki, Akseli; Murugesu, Muralee","Probing the magnetic and magneto-optical properties of a radical-bridged Tb4 single-molecule magnet","Chemical Communications","2023","","","","","10.1039/D3CC03034B","","","0.71073","MoKα","","0.0757","0.0684","","","0.1511","0.1543","","","","","","1.367","","","","has coordinates,has disorder","287165","2023-10-30","22:55:26",""
"7132276","21.9995","0.0008","14.685","0.0005","19.4382","0.0006","90","","90","","90","","6279.8","0.4","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-alpha","","","- C32 H30.83 N6.5 Ni O7.96 -","- C32 H30.829 N6.5 Ni O7.955 -","- C256 H246.632 N52 Ni8 O63.64 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.0377","0.0331","","","0.0843","0.0877","","","","","","1.046","","","","has coordinates,has disorder","287166","2023-10-30","22:56:58",""
"7132277","21.9277","0.0015","13.381","0.0009","19.9622","0.0013","90","","90","","90","","5857.2","0.7","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-beta","","","- C30 H25.5 N6 Ni O6 -","- C30 H25.5 N6 Ni O6 -","- C240 H204 N48 Ni8 O48 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.0626","0.0418","","","0.0904","0.1001","","","","","","1.015","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132278","22.0063","0.0017","16.5739","0.0013","18.923","0.0014","90","","90","","90","","6901.8","0.9","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-gamma","","","- C34.08 H37.75 N6 Ni O8.59 -","- C32.58 H31.74 N6 Ni O7.08 -","- C260.64 H253.92 N48 Ni8 O56.64 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.1232","0.0738","","","0.1842","0.229","","","","","","1.049","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132279","21.9932","0.0012","14.6091","0.0008","19.5808","0.0012","90","","90","","90","","6291.3","0.6","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-alpha_prime","","","- C30 H26.76 N6 Ni O8.76 -","- C30 H27.02 N6 Ni O8.76 -","- C240 H216.16 N48 Ni8 O70.08 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","1.54178","CuKα","","0.097","0.0813","","","0.2268","0.244","","","","","","1.093","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132280","21.925","0.004","13.614","0.003","19.848","0.003","90","","90","","90","","5924.4","1.9","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-beta_vacuum","","","- C30 H25.5 N6 Ni O6 -","- C30 H25.5 N6 Ni O6 -","- C240 H204 N48 Ni8 O48 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.1042","0.0796","","","0.2076","0.2344","","","","","","1.042","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132281","17.9756","0.0004","22.7835","0.0007","23.5537","0.0006","90","","93.419","0.001","90","","9629.2","0.4","150","2","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Bi2 N8 Na6 O145 Ru4 W32 -","- C40 H32 Bi2 N8 Na6 O145 Ru4 W32 -","- C80 H64 Bi4 N16 Na12 O290 Ru8 W64 -","2","0.5","","Yang, Mengnan; Zhang, Yao; Ji, Shiyan; Li, Huafeng; Ma, Xinyi; Jin, Yuzhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A heteropolytungstate based 2D layered porous framework with high proton conductivity.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04517j","","","0.71073","MoKα","","0.0635","0.0399","","","0.0925","0.1047","","","","","","1.019","","","","has coordinates","287167","2023-10-30","22:57:49",""
"7132282","5.0202","0.0004","29.187","0.002","5.9119","0.0005","90","","100.468","0.003","90","","851.82","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","AB 03 435","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","x-ray","1.54178","CuKα","","0.0587","0.0587","","","0.1568","0.1568","","","","","","1.0434","","","","has coordinates","287174","2023-10-31","22:57:14",""
"7132283","5.0244","0.0004","29.261","0.002","5.9187","0.0005","90","","100.326","0.005","90","","856.07","0.12","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.35 H1.88 D0.24 N0.24 O0.47 -","- C2.35294 H1.88235 D0.235294 N0.235294 O0.470588 -","- C40 H32 D4 N4 O8 -","17","4.25","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","","1.54178","CuKα","","0.0968","0.0918","","","0.1643","0.1665","","","","","","1.229","","","","has coordinates","287174","2023-10-31","22:57:15",""
"7132284","11.6575","0.0011","7.8732","0.0007","13.6308","0.0013","90","","92.216","0.003","90","","1250.1","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","1","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","","1.54178","CuKα","","0.0442","0.0435","","","0.1136","0.1143","","","","","","1.085","","","","has coordinates","287174","2023-10-31","22:57:15",""
"7132285","7.8685","0.0006","7.0616","0.0005","16.2493","0.0012","90","","91.433","0.002","90","","902.6","0.12","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","x-ray","1.54178","CuKα","","0.0523","0.0522","","","0.1312","0.1314","","","","","","1.245","","","","has coordinates","287174","2023-10-31","22:57:15",""
"7132286","15.3315","0.001","7.677","0.0005","25.9418","0.0017","90","","96.515","0.003","90","","3033.6","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-CONFUSED PORPHYRIN RING","","- C38 H26 N4 O5 S -","- C38 H26 N4 O5 S -","- C152 H104 N16 O20 S4 -","4","1","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","x-ray","1.54178","CuKα","","0.0497","0.049","","","0.1353","0.1359","","","","","","1.098","","","","has coordinates","287174","2023-10-31","22:57:15",""
"7132287","10.1881","0.0004","11.1979","0.0004","13.8192","0.0005","81.957","0.001","78.968","0.001","70.013","0.001","1449.48","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C68 H80 N8 O8 -","2","1","","Bhowmik, arup; Naskar, Koushik; Roy, Shantonu; Karmakar, Sudip; Sarkar, Writhabrata; Mondal, Imtiaj; Sana, Arindam; Deb, Indubhusan","A Condition-Tuned Unorthodox Approach to Indole-3-Carboxylic Acids and Anthranilic Acids via Carbon Atom Translocation","Chemical Communications","2023","","","","","10.1039/D3CC04443B","","x-ray","1.54178","CuKα","","0.0493","0.049","","","0.1308","0.1312","","","","","","1.101","","","","has coordinates","287174","2023-10-31","22:57:16",""
"7132288","24.09003","0.00014","24.09003","0.00014","79.8295","0.0006","90","","90","","120","","40120.7","0.4","100","0.1","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C222 H273 Cl Dy9 N41 O41 P6 S2 -","- C200 H228 Cl Dy9 N32 O36 P6 S2 -","- C1200 H1368 Cl6 Dy54 N192 O216 P36 S12 -","6","0.166667","","Liu, Yanan; Sun, Xiao; Chen, Peiqiong; Li, Xiaojuan; Huang, Fu-Ping; Liu, Hou-Ting; Tian, Haiquan","Double-stranded metallo-triangles: from anion-templated nonanuclear to cation-templated tetraicosanuclear dysprosium clusters","Chemical Communications","2023","","","","","10.1039/D3CC04449A","","","1.54184","CuKα","","0.0562","0.0526","","","0.1635","0.1699","","","","","","0.765","","","","has coordinates","287175","2023-10-31","22:59:07",""
"7132289","40.2966","0.0004","40.2966","0.0004","42.4712","0.0005","90","","90","","120","","59725.8","1.1","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C209 H473 Dy24 N24 Na3 O227 P6 -","- C189 H213 Dy24 N24 Na3 O117 P6 -","- C1134 H1278 Dy144 N144 Na18 O702 P36 -","6","0.166667","","Liu, Yanan; Sun, Xiao; Chen, Peiqiong; Li, Xiaojuan; Huang, Fu-Ping; Liu, Hou-Ting; Tian, Haiquan","Double-stranded metallo-triangles: from anion-templated nonanuclear to cation-templated tetraicosanuclear dysprosium clusters","Chemical Communications","2023","","","","","10.1039/D3CC04449A","","","0.71073","MoKα","","0.0566","0.0447","","","0.1385","0.171","","","","","","0.76","","","","has coordinates,has disorder","287175","2023-10-31","22:59:12",""
"7132290","12.3052","0.0001","7.332","0.0001","18.753","0.0002","90","","102.292","0.001","90","","1653.14","0.03","104.4","0.5","104.4","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Reddy, Mandapati Bhargava; McGarrigle, Eoghan M.","Visible-light-induced bifunctionalisation of (homo)propargylic amines with CO<sub>2</sub> and arylsulfinates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04160c","","x-ray","1.54184","CuKα","","0.0377","0.0322","","","0.0832","0.0877","","","","","","1.04","","","","has coordinates","287176","2023-10-31","23:00:02",""
"7132291","7.3743","0.0001","15.0097","0.0002","15.6382","0.0002","90","","90","","90","","1730.93","0.04","104.6","0.14","104.6","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Reddy, Mandapati Bhargava; McGarrigle, Eoghan M.","Visible-light-induced bifunctionalisation of (homo)propargylic amines with CO<sub>2</sub> and arylsulfinates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04160c","","x-ray","1.54184","CuKα","","0.0293","0.027","","","0.0682","0.0703","","","","","","1.064","","","","has coordinates","287176","2023-10-31","23:00:03",""
"7132292","16.852","0.003","17.108","0.003","29.168","0.006","90","","94.92","0.03","90","","8378","3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H81 Ca Cd2 Cl8 N28 O33 -","- C47 H57 Ca Cd2 Cl8 N28 O21 -","- C188 H228 Ca4 Cd8 Cl32 N112 O84 -","4","1","","Hu, Jian-Hang; Wang, Cheng-Hui; Bai, Qing-hong; Chen, Lixia; Zhao, anting; Yuan, Shang-Wei; Chen, Qing; Ma, PeiHua; Tao, Zhu; Xiao, Xin","Cucurbit[7]uril-based carbon dots for recognizing histamine","Chemical Communications","2023","","","","","10.1039/D3CC03750A","","","0.71073","MoKα","","0.1111","0.0949","","","0.2506","0.2609","","","","","","1.024","","","","has coordinates","287224","2023-11-01","22:55:17",""
"7132293","9.3277","0.0001","26.9016","0.0001","9.3909","0.0001","90","","107.691","0.001","90","","2245.02","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(6R,7S)-5-(benzo[d]thiazol-2-yl)-6-(3-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C108 H88 N8 O8 S4 -","4","2","","Dyguda, Mateusz; Przydacz, Artur; Albrecht, Łukasz","Dearomative, aminocatalytic formal normal-electron-demand aza-Diels-Alder cycloaddition in the synthesis of tetrahydrofuropyridines.","Chemical communications (Cambridge, England)","2023","59","86","12903","12906","10.1039/d3cc03946c","","x-ray","1.54184","CuKα","","0.0223","0.0222","","","0.0599","0.06","","","","","","1.034","","","","has coordinates","287250","2023-11-04","05:39:35",""
"7132294","13.2327","0.0004","18.0672","0.0005","14.089","0.0004","90","","97.292","0.001","90","","3341.12","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N O2 W -","- C40 H45 N O2 W -","- C160 H180 N4 O8 W4 -","4","1","","Yadav, Rinku; Ghiviriga, Ion; Abboud, Khalil K.; Veige, Adam S.","A case of alkylidyne-imine metathesis.","Chemical communications (Cambridge, England)","2023","59","86","12899","12902","10.1039/d3cc04583h","","","0.71073","MoKα","","0.0225","0.0209","","","0.0513","0.0521","","","","","","1.256","","","","has coordinates","287251","2023-11-04","05:41:06",""
"7132295","9.425","0.002","12.4","0.003","16.608","0.003","95.897","0.005","92.628","0.007","103.096","0.006","1875.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H49 N O2 W -","- C45 H49 N O2 W -","- C90 H98 N2 O4 W2 -","2","1","","Yadav, Rinku; Ghiviriga, Ion; Abboud, Khalil K.; Veige, Adam S.","A case of alkylidyne-imine metathesis.","Chemical communications (Cambridge, England)","2023","59","86","12899","12902","10.1039/d3cc04583h","","","0.71073","MoKα","","0.036","0.0313","","","0.0697","0.0718","","","","","","1.087","","","","has coordinates,has disorder","287251","2023-11-04","05:41:09",""
"7132296","9.3557","0.0005","11.8178","0.0005","16.8483","0.0009","101.459","0.001","91.875","0.001","99.739","0.002","1795.12","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N O2 W -","- C44 H47 N O2 W -","- C88 H94 N2 O4 W2 -","2","1","","Yadav, Rinku; Ghiviriga, Ion; Abboud, Khalil K.; Veige, Adam S.","A case of alkylidyne-imine metathesis.","Chemical communications (Cambridge, England)","2023","59","86","12899","12902","10.1039/d3cc04583h","","","0.71073","MoKα","","0.0258","0.0208","","","0.0434","0.0452","","","","","","1.035","","","","has coordinates","287251","2023-11-04","05:41:12",""
"7132297","23.9026","0.0019","11.1201","0.0005","26.2556","0.0014","90","","97.854","0.003","90","","6913.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N O2 W -","- C39 H45 N O2 W -","- C312 H360 N8 O16 W8 -","8","1","","Yadav, Rinku; Ghiviriga, Ion; Abboud, Khalil K.; Veige, Adam S.","A case of alkylidyne-imine metathesis.","Chemical communications (Cambridge, England)","2023","59","86","12899","12902","10.1039/d3cc04583h","","","0.71073","MoKα","","0.0342","0.0262","","","0.051","0.0545","","","","","","1.028","","","","has coordinates,has disorder","287251","2023-11-04","05:41:12",""
"7132298","15.28","0.002","8.7593","0.0011","14.8039","0.0018","90","","98.748","0.009","90","","1958.3","0.4","156","","156","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H11 B3 F4 N4 O4 -","- C H11 B3 F4 N4 O4 -","- C8 H88 B24 F32 N32 O32 -","8","1","","Chen, Ziqi; Li, Fuming; Yang, Zhihua; Pan, Shilie; Mutailipu, Miriding","Hydroxyfluorooxoborate (NH<sub>4</sub>)[C(NH<sub>2</sub>)<sub>3</sub>][B<sub>3</sub>O<sub>3</sub>F<sub>4</sub>(OH)] for exploring the effects of cation substitution on structure and optical properties.","Chemical communications (Cambridge, England)","2023","59","83","12435","12438","10.1039/d3cc04346k","","","0.71073","MoKα","","0.0571","0.0407","","","0.0929","0.1067","","","","","","1.069","","","","has coordinates","287252","2023-11-04","05:42:18",""
"7132299","8.94012","0.00013","12.9377","0.0002","9.96505","0.00014","90","","93.8561","0.0013","90","","1149.99","0.03","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl F6 I O2 -","- C21 H24 Cl F6 I O2 -","- C42 H48 Cl2 F12 I2 O4 -","2","1","","Milzarek, Tobias M.; Ramirez, Nieves P.; Liu, Xing-Yu; Waser, Jerome","One-pot synthesis of functionalized bis(trifluoromethylated)benziodoxoles from iodine(I) precursors.","Chemical communications (Cambridge, England)","2023","59","84","12637","12640","10.1039/d3cc04525k","","x-ray","1.54184","CuKα","","0.0306","0.0306","","","0.0793","0.0793","","","","","","1.036","","","","has coordinates","287253","2023-11-04","05:49:51",""
"7132300","18.3299","0.0018","18.3299","0.0018","10.8617","0.0016","90","","90","","90","","3649.4","0.7","276","2","276","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C18 H13 N O4 S -","- C18 H13 N O4 S -","- C144 H104 N8 O32 S8 -","8","1","","Nan, Jiang; Liang, Lu","Rhodium-catalyzed divergent dehydroxylation/alkenylation of hydroxyisoindolinones with vinylene carbonate","Chemical Communications","2023","","","","","10.1039/D3CC03760F","","","0.71073","MoKα","","0.1015","0.0576","","","0.1443","0.167","","","","","","1.018","","","","has coordinates","287257","2023-11-04","22:55:45",""
"7132301","7.5438","0.0013","9.2653","0.0016","10.844","0.002","95.635","0.006","103.483","0.006","110.434","0.005","677.1","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Nan, Jiang; Liang, Lu","Rhodium-catalyzed divergent dehydroxylation/alkenylation of hydroxyisoindolinones with vinylene carbonate","Chemical Communications","2023","","","","","10.1039/D3CC03760F","","","0.71073","MoKα","","0.1397","0.1189","","","0.3796","0.3955","","","","","","1.112","","","","has coordinates","287257","2023-11-04","22:55:57",""
"7132302","14.931","0.0011","4.4906","0.0003","23.0319","0.0016","90","","90.011","0.004","90","","1544.27","0.19","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H13.98 N2 O -","- C22 H13.979 N2 O -","- C88 H55.916 N8 O4 -","4","2","","Pramanik, Susnata; Khatua, Snehadrinarayan; Gaikwad, Sudhakar; Lyngkhoi, Deikrisha Lyngdoh; Kumar, Naveen; Ahamed, Rafiq; Samanta, Jayanta","Excitation wavelength-dependent multi-coloured and white-light emissive pyrene-based hydrazones: suppression of Kasha's rule","Chemical Communications","2023","","","","","10.1039/D3CC04584F","","","0.71073","MoKα","","0.1898","0.149","","","0.3912","0.423","","","","","","1.46","","","","has coordinates,has disorder","287258","2023-11-04","22:56:39",""
"7132303","25.018","0.002","11.931","0.0011","27.747","0.002","90","","90","","90","","8282.2","1.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C93 H153 Cl2 Co N13 O27 -","- C62 H44 Cl2 Co N6 -","- C248 H176 Cl8 Co4 N24 -","4","0.5","","Ngue, Chin-May; Zhang, Yong-Yun; Leung, Man-kit","Exploring Redox Properties of a 3D Co-based Framework with Bis(triarylamine) Terphenyl as Redox-Active Linker","Chemical Communications","2023","","","","","10.1039/D3CC00067B","","","1.54178","CuKα","","0.187","0.1229","","","0.3024","0.3471","","","","","","1.262","","","","has coordinates,has disorder","287440","2023-11-06","22:55:24",""
"7132304","9.4089","0.0003","9.7814","0.0003","10.8175","0.0004","89.888","0.003","82.761","0.003","87.726","0.003","986.84","0.06","303.64","0.1","303.64","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl N O2 -","- C22 H24 Cl N O2 -","- C44 H48 Cl2 N2 O4 -","2","1","","Yao, Tuanli; Zhu, Rui; Liu, Tao","Synthesis of 3-Aminoindenes and cis-1-Aminoindanes by Zn(OTf)2-Catalyzed Cyclization of o-Alkynylbenzaldehydes with Tertiary Alkyl Primary Amines","Chemical Communications","2023","","","","","10.1039/D3CC04180H","","x-ray","1.54184","CuKα","","0.0663","0.0625","","","0.183","0.1872","","","","","","1.105","","","","has coordinates","287441","2023-11-06","22:55:51",""
"7132305","8.0999","0.0004","9.3367","0.0005","15.524","0.0009","87.968","0.002","79.642","0.002","74.3022","0.0018","1111.71","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 I2 N2 -","- C21 H24 I2 N2 -","- C42 H48 I4 N4 -","2","1","","Mazars, François; Zaragoza, Guillermo; Delaude, Lionel","The facile alkylation and iodination of imidazol(in)ium salts in the presence of cesium carbonate","Chemical Communications","2023","","","","","10.1039/D3CC04971J","","x-ray","0.71073","MoKα","","0.0527","0.043","","","0.0953","0.0998","","","","","","1.243","","","","has coordinates","287442","2023-11-06","22:56:47",""
"7132306","19.2342","0.0015","10.1167","0.0007","26.9285","0.0017","90","","90","","90","","5239.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Cl3 I N2 -","- C24 H30 Cl3 I N2 -","- C192 H240 Cl24 I8 N16 -","8","1","","Mazars, François; Zaragoza, Guillermo; Delaude, Lionel","The facile alkylation and iodination of imidazol(in)ium salts in the presence of cesium carbonate","Chemical Communications","2023","","","","","10.1039/D3CC04971J","","x-ray","0.71073","MoKα","","0.0401","0.0293","","","0.0657","0.0706","","","","","","1.031","","","","has coordinates","287442","2023-11-06","22:56:48",""
"7132307","17.5644","0.001","44.896","0.003","9.5243","0.0005","90","","98.986","0.002","90","","7418.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl6 I N2 -","- C31 H43 Cl6 I N2 -","- C248 H344 Cl48 I8 N16 -","8","2","","Mazars, François; Zaragoza, Guillermo; Delaude, Lionel","The facile alkylation and iodination of imidazol(in)ium salts in the presence of cesium carbonate","Chemical Communications","2023","","","","","10.1039/D3CC04971J","","x-ray","0.71073","MoKα","","0.0791","0.0651","","","0.127","0.1326","","","","","","1.226","","","","has coordinates,has disorder","287442","2023-11-06","22:56:48",""
"7132308","14.3056","0.0002","22.4286","0.0003","28.019","0.0003","76.275","0.001","78.63","0.001","78.947","0.001","8462.19","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67.57 H64.57 B Cu N2 O2 P2 -","- C67.575 H64.575 B Cu N2 O2 P2 -","- C405.45 H387.45 B6 Cu6 N12 O12 P12 -","6","3","","Grasruck, Alexander; Parla, Giorgio; Lou, Lisha; Langer, Jens; Neiß, Christian; Herrera, Alberto; Frieß, Sybille; Görling, Andreas; Schmid, Günter; Dorta, Romano","Trapping of soluble, KCl-stabilized Cu(I) hydrides with CO<sub>2</sub> gives crystalline formates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03033d","","x-ray","1.54184","CuKα","","0.0604","0.0495","","","0.1258","0.1358","","","","","","1.038","","","","has coordinates,has disorder","287472","2023-11-07","22:58:26",""
"7132309","10.29438","0.00006","15.4304","0.00008","23.74742","0.00011","90","","90","","90","","3772.19","0.03","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40.89 H48.89 Cl0.11 Cu N2 O1.78 P2 -","- C40.891 H48.891 Cl0.109 Cu N2 O1.782 P2 -","- C163.564 H195.564 Cl0.436 Cu4 N8 O7.128 P8 -","4","1","","Grasruck, Alexander; Parla, Giorgio; Lou, Lisha; Langer, Jens; Neiß, Christian; Herrera, Alberto; Frieß, Sybille; Görling, Andreas; Schmid, Günter; Dorta, Romano","Trapping of soluble, KCl-stabilized Cu(I) hydrides with CO<sub>2</sub> gives crystalline formates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03033d","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0827","0.0829","","","","","","1.028","","","","has coordinates,has disorder","287472","2023-11-07","22:58:27",""
"7132310","21.0549","0.0006","21.0549","0.0006","31.7103","0.0014","90","","90","","120","","12174.1","0.7","150","","150","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C138 H135 F36 N51 O36 Pb6 S12 -","- C138 H135 F36 N51 O36 Pb6 S12 -","- C276 H270 F72 N102 O72 Pb12 S24 -","2","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","1.34143","GaKα","","0.1104","0.0696","","","0.1968","0.2213","","","","","","0.945","","","","has coordinates,has disorder","287473","2023-11-07","23:00:36",""
"7132311","21.0331","0.0002","21.0331","0.0002","58.251","0.0012","90","","90","","120","","22317.2","0.5","150","0.2","150","0.2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C153 H147 F27 N51 O27 Pb6 S9 -","- C153 H147 F27 N51 O27 Pb6 S9 -","- C459 H441 F81 N153 O81 Pb18 S27 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.0986","0.0515","","","0.1425","0.1623","","","","","","1.016","","","","has coordinates,has disorder","287473","2023-11-07","23:00:36",""
"7132312","21.0435","0.0006","21.0435","0.0006","58.507","0.003","90","","90","","120","","22437.5","1.5","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C146 H138 F30 N48 O24 P Pb6 S8 -","- C146 H138 F30 N48 O24 P Pb6 S8 -","- C438 H414 F90 N144 O72 P3 Pb18 S24 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.0478","0.0403","","","0.1171","0.122","","","","","","1.01","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132313","21.1054","0.0002","21.1054","0.0002","51.1319","0.001","90","","90","","120","","19724.7","0.5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C141 H132 F36 N48 O36 Pb6 S12 -","- C141 H132 F36 N48 O36 Pb6 S12 -","- C423 H396 F108 N144 O108 Pb18 S36 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","1.34143","GaKα","","0.1044","0.08","","","0.2498","0.273","","","","","","1.043","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132314","21.0367","0.0009","21.0367","0.0009","31.8231","0.0016","90","","90","","120","","12196.3","1","120","2","120","2","","","","","","","","12","P 63/m","-P 6c","176","","","","- C131 H126 F39 N48 O33 P Pb6 S11 en lv so t -","- C131 H126 F39 N48 O33 P Pb6 S11 -","- C262 H252 F78 N96 O66 P2 Pb12 S22 -","2","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.1028","0.0789","","","0.1945","0.2101","","","","","","1.066","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132315","21.1133","0.0006","21.1133","0.0006","51.25","0.003","90","","90","","120","","19785","1.4","120","2","120","2","","","","","","","","12","R -3 :H","-R 3","148","","","","- C134 H132 F30 N48 O24 P Pb6 S8 en lv so t -","- C134 H132 F30 N48 O24 P Pb6 S8 -","- C402 H396 F90 N144 O72 P3 Pb18 S24 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.0486","0.0395","","","0.1097","0.1158","","","","","","1.024","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132316","14.6254","0.0002","14.0014","0.0002","33.2503","0.0004","90","","97.31","0.001","90","","6753.53","0.16","300.51","0.1","300.51","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60 F12 N8 O8 -","- C72 H60 F12 N8 O8 -","- C288 H240 F48 N32 O32 -","4","1","","Wang, Junjiao; Shang, Yongwei; Zhao, Xiujuan; Cui, Zhenli; Li, Yang; Wang, Ke-Hu; Huang, Danfeng; Hu, Yulai; Wang, Na; Feng, Lei","The Cyclization/Rearrangement of α-Hydroxy Ketones with Trifluoromethyl N-acylhydrazones to Synthesize Multi-substituted Trifluoromethyloxazolines","Chemical Communications","2023","","","","","10.1039/D3CC03854H","","x-ray","1.54184","CuKα","","0.0467","0.0437","","","0.1181","0.1213","","","","","","1.031","","","","has coordinates","287493","2023-11-09","22:54:21",""
"7132317","20.1171","0.0017","7.5762","0.0007","9.1129","0.0007","90","","90","","90","","1388.9","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","Chloropropamide Tolbutamide","","","- C10.91 H15.28 Cl0.54 N2 O3 S -","- C10.912 H15.28 Cl0.544 N2 O3 S -","- C43.648 H61.12 Cl2.176 N8 O12 S4 -","4","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.0426","0.0341","","","0.0869","0.0926","","","","","","1.094","","","","has coordinates,has disorder","287522","2023-11-10","23:08:29",""
"7132318","15.5366","0.0007","9.305","0.0003","19.6476","0.0008","90","","90","","90","","2840.4","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.39 H16.49 Cl0.3 N2 O3 S -","- C11.392 H16.48 Cl0.304 N2 O3 S -","- C91.136 H131.84 Cl2.432 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","1.54178","CuKα","","0.0959","0.0862","","","0.2662","0.2777","","","","","","1.125","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132319","9.728","0.0014","9.9056","0.0015","17.743","0.003","86.808","0.004","76.707","0.004","75.775","0.004","1612.9","0.4","298","2","298","2","","","","","","","","6","P 1","P 1","1","Toluensulfonamide Chlorobenzylsulfonamide","","","- C6.6 H7.81 Cl0.4 N O2 S -","- C6.605 H7.815 Cl0.395 N O2 S -","- C52.84 H62.52 Cl3.16 N8 O16 S8 -","8","8","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.0829","0.0594","","","0.168","0.195","","","","","","1.044","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132320","15.2433","0.0008","9.3138","0.0005","19.5618","0.0011","90","","90","","90","","2777.2","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.18 H15.96 Cl0.41 N2 O3 S -","- C11.16 H15.9 Cl0.42 N2 O3 S -","- C89.28 H127.2 Cl3.36 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.146","0.1048","","","0.2836","0.3244","","","","","","1.138","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132321","6.6126","0.0006","16.3343","0.0017","7.6345","0.0008","90","","92.933","0.003","90","","823.54","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Toluensulfonamide Chlorobenzylsulfonamide","","","- C6.39 H7.16 Cl0.61 N O2 S -","- C6.389 H7.167 Cl0.611 N O2 S -","- C25.556 H28.668 Cl2.444 N4 O8 S4 -","4","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.1357","0.0634","","","0.1485","0.2057","","","","","","1.104","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132322","15.1745","0.0011","9.3155","0.0005","19.524","0.0012","90","","90","","90","","2759.9","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.07 H15.66 Cl0.47 N2 O3 S -","- C11.062 H15.655 Cl0.469 N2 O3 S -","- C88.496 H125.24 Cl3.752 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.1423","0.0937","","","0.2588","0.3051","","","","","","1.126","","","","has coordinates,has disorder","287522","2023-11-10","23:08:30",""
"7132323","15.2556","0.0011","9.3161","0.0007","19.559","0.0015","90","","90","","90","","2779.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C11.32 H16.31 Cl0.34 N2 O3 S -","- C11.31 H16.275 Cl0.345 N2 O3 S -","- C90.48 H130.2 Cl2.76 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.1733","0.1098","","","0.2811","0.339","","","","","","1.116","","","","has coordinates,has disorder","287522","2023-11-10","23:08:31",""
"7132324","14.9416","0.0004","9.3109","0.0003","19.393","0.0006","90","","90","","90","","2697.95","0.14","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Chloropropamide Tolbutamide","","","- C10.61 H14.52 Cl0.7 N2 O3 S -","- C10.608 H14.52 Cl0.696 N2 O3 S -","- C84.864 H116.16 Cl5.568 N16 O24 S8 -","8","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","1.54178","CuKα","","0.0944","0.0763","","","0.2286","0.2525","","","","","","1.087","","","","has coordinates,has disorder","287522","2023-11-10","23:08:31",""
"7132325","8.7569","0.0001","16.9749","0.0002","12.7839","0.0002","90","","91.531","0.001","90","","1899.62","0.04","150.01","0.1","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H24 Br2 O -","- C20 H24 Br2 O -","- C80 H96 Br8 O4 -","4","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","1.54184","CuKα","","0.0214","0.0212","","","0.0555","0.0557","","","","","","1.077","","","","has coordinates","287523","2023-11-10","23:11:44",""
"7132326","11.0832","0.0008","12.2624","0.0009","19.3619","0.0017","74.717","0.007","74.915","0.007","64.183","0.007","2252.7","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 B Br N2 O -","- C50 H64 B Br N2 O -","- C100 H128 B2 Br2 N4 O2 -","2","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","x-ray","1.54184","CuKα","","0.0785","0.0614","","","0.1358","0.1437","","","","","","1.055","","","","has coordinates,has disorder","287523","2023-11-10","23:11:45",""
"7132327","11.7476","0.0002","17.0185","0.0003","26.4191","0.0007","90","","97.504","0.002","90","","5236.64","0.19","150","0.1","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H81 B Li N2 O3 -","- C55 H81 B Li N2 O3 -","- C220 H324 B4 Li4 N8 O12 -","4","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","1.54184","CuKα","","0.0865","0.0644","","","0.1666","0.1838","","","","","","1.028","","","","has coordinates,has disorder","287523","2023-11-10","23:11:46",""
"7132328","18.2232","0.0002","9.8074","0.0001","28.205","0.0006","90","","99.342","0.002","90","","4974","0.13","150.01","0.1","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 K2 N2 O -","- C56 H70 K2 N2 O -","- C224 H280 K8 N8 O4 -","4","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","1.54184","CuKα","","0.0555","0.0478","","","0.1299","0.1374","","","","","","1.041","","","","has coordinates","287523","2023-11-10","23:11:46",""
"7132329","11.8539","0.0001","12.9432","0.0002","18.7438","0.0002","106.544","0.001","99.333","0.001","105.452","0.001","2567.42","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C118 H144 B2 Fe2 N4 O4 -","- C118 H144 B2 Fe2 N4 O4 -","- C118 H144 B2 Fe2 N4 O4 -","1","0.5","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","1.54184","CuKα","","0.0421","0.0384","","","0.0955","0.0972","","","","","","1.07","","","","has coordinates","287523","2023-11-10","23:11:46",""
"7132330","15.1811","0.0001","11.8175","0.0001","27.654","0.0002","90","","103.455","0.001","90","","4825.03","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H148 Mg2 N4 O6 -","- C104 H148 Mg2 N4 O6 -","- C208 H296 Mg4 N8 O12 -","2","0.5","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","x-ray","1.54184","CuKα","","0.0437","0.039","","","0.1039","0.1078","","","","","","1.053","","","","has coordinates,has disorder","287523","2023-11-10","23:11:46",""
"7132331","70.8297","0.001","10.40514","0.00014","44.9198","0.0006","90","","105.457","0.0014","90","","31908.1","0.8","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N2 O -","- C44 H60 N2 O -","- C1408 H1920 N64 O32 -","32","4","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","x-ray","1.54184","CuKα","","0.0983","0.0686","","","0.1782","0.2086","","","","","","1.055","","","","has coordinates,has disorder","287523","2023-11-10","23:11:46",""
"7132332","10.7933","0.0006","10.9169","0.0006","19.6634","0.001","99.184","0.005","93.75","0.004","100.054","0.005","2241.7","0.2","149.9","0.6","150","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 Mg N2 O2 -","- C48 H68 Mg N2 O2 -","- C96 H136 Mg2 N4 O4 -","2","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","0.71073","MoKα","","0.1244","0.0765","","","0.1876","0.2215","","","","","","0.987","","","","has coordinates,has disorder","287523","2023-11-10","23:11:46",""
"7132333","11.5584","0.0009","12.1098","0.0015","15.8128","0.0018","89.601","0.009","88.022","0.008","61.747","0.01","1948.4","0.4","150","0.1","150","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 B F N2 O -","- C44 H58 B F N2 O -","- C88 H116 B2 F2 N4 O2 -","2","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","1.54184","CuKα","","0.0477","0.0413","","","0.0963","0.1018","","","","","","1.036","","","","has coordinates,has disorder","287523","2023-11-10","23:11:47",""
"7132334","9.4607","0.0007","10.9217","0.0008","17.9906","0.0014","90","","96.556","0.002","90","","1846.8","0.2","276","2","276","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","","Zhang, Xiaofei; Wang, Yao; Liu, Jiaxin; Tian, Chengpeng; Li, Xiang; Xie, Pan; Zhu, Zhen-Yu; Yao, Tuanli","Synthesis of 3-Aminotetrahydro-1H-carbazols by Visible-Light Photocatalyzed Cycloaddition of Cyclopropylanilines with 2-Alkenylarylisocyanides","Chemical Communications","2023","","","","","10.1039/D3CC04674E","","","0.71073","MoKα","","0.122","0.0419","","","0.0816","0.0978","","","","","","0.828","","","","has coordinates","287566","2023-11-13","22:54:53",""
"7132335","7.0095","0.001","10.7904","0.0016","12.52","0.003","97.995","0.007","93.45","0.007","95.353","0.007","931.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 B F2 N2 -","- C24 H19 B F2 N2 -","- C48 H38 B2 F4 N4 -","2","1","","von Köller, Heinrich; Geffers, Finn; Kalvani, Pedram; Foraita, Adrian; Loß, Patrick-Eric; Butschke, Burkhard; Jones, P. G.; Werz, Daniel B.","Access to isoindole-derived BODIPYs by an aminopalladation cascade","Chemical Communications","2023","","","","","10.1039/D3CC04913B","","x-ray","0.71073","MoKα","","0.0597","0.0458","","","0.107","0.1174","","","","","","1.053","","","","has coordinates","287567","2023-11-13","22:55:59",""
"7132336","11.2668","0.0003","15.3965","0.0004","9.5029","0.0003","90","","106.696","0.003","90","","1578.97","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 B F2 N2 -","- C20 H15 B F2 N2 -","- C80 H60 B4 F8 N8 -","4","1","","von Köller, Heinrich; Geffers, Finn; Kalvani, Pedram; Foraita, Adrian; Loß, Patrick-Eric; Butschke, Burkhard; Jones, P. G.; Werz, Daniel B.","Access to isoindole-derived BODIPYs by an aminopalladation cascade","Chemical Communications","2023","","","","","10.1039/D3CC04913B","","x-ray","1.54184","CuKα","","0.0437","0.0425","","","0.0978","0.0986","","","","","","1.153","","","","has coordinates","287567","2023-11-13","22:56:00",""
"7132337","11.2238","0.0003","15.6385","0.0004","9.2476","0.0003","90","","106.535","0.003","90","","1556.05","0.08","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 B F2 N3 -","- C19 H14 B F2 N3 -","- C76 H56 B4 F8 N12 -","4","1","","von Köller, Heinrich; Geffers, Finn; Kalvani, Pedram; Foraita, Adrian; Loß, Patrick-Eric; Butschke, Burkhard; Jones, P. G.; Werz, Daniel B.","Access to isoindole-derived BODIPYs by an aminopalladation cascade","Chemical Communications","2023","","","","","10.1039/D3CC04913B","","x-ray","0.71073","MoKα","","0.0572","0.045","","","0.1228","0.1314","","","","","","1.048","","","","has coordinates","287567","2023-11-13","22:56:00",""
"7132338","11.1893","0.0002","10.9459","0.0002","15.6815","0.0003","90","","92.82","0.002","90","","1918.3","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 B F2 N2 -","- C25 H17 B F2 N2 -","- C100 H68 B4 F8 N8 -","4","1","","von Köller, Heinrich; Geffers, Finn; Kalvani, Pedram; Foraita, Adrian; Loß, Patrick-Eric; Butschke, Burkhard; Jones, P. G.; Werz, Daniel B.","Access to isoindole-derived BODIPYs by an aminopalladation cascade","Chemical Communications","2023","","","","","10.1039/D3CC04913B","","","0.71073","MoKα","","0.0487","0.0417","","","0.1159","0.1197","","","","","","1.041","","","","has coordinates","287567","2023-11-13","22:56:00",""
"7132339","7.2004","0.0005","11.4906","0.0008","18.007","0.0013","90","","99.31","0.003","90","","1470.22","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl N3 O2 S -","- C15 H12 Cl N3 O2 S -","- C60 H48 Cl4 N12 O8 S4 -","4","1","","Neochoritis, Constantinos G.; Fragkiadakis , Michael; Anastasiou, Paraskevi-Kleio; Volyrakis, Ioannis; Pantousas, Apostolos; Stoumpos, Constantinos C.","C1 functionalization of imidazo heterocycles via carbon dioxide fixation","Chemical Communications","2023","","","","","10.1039/D3CC04597H","","","0.71073","MoKα","","0.0892","0.0578","","","0.1489","0.1729","","","","","","1.028","","","","has coordinates","287592","2023-11-14","22:54:56",""
"7132340","7.804","0.003","9.955","0.004","19.163","0.007","96.538","0.013","96.978","0.011","90.269","0.013","1467.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","2","","Neochoritis, Constantinos G.; Fragkiadakis , Michael; Anastasiou, Paraskevi-Kleio; Volyrakis, Ioannis; Pantousas, Apostolos; Stoumpos, Constantinos C.","C1 functionalization of imidazo heterocycles via carbon dioxide fixation","Chemical Communications","2023","","","","","10.1039/D3CC04597H","","","0.71073","MoKα","","0.279","0.1487","","","0.3815","0.4528","","","","","","1.172","","","","has coordinates","287592","2023-11-14","22:55:01",""
"7132341","11.1476","0.0009","7.1242","0.0006","18.6955","0.0015","90","","101.839","0.003","90","","1453.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N3 O2 -","- C17 H14 Cl N3 O2 -","- C68 H56 Cl4 N12 O8 -","4","1","","Neochoritis, Constantinos G.; Fragkiadakis , Michael; Anastasiou, Paraskevi-Kleio; Volyrakis, Ioannis; Pantousas, Apostolos; Stoumpos, Constantinos C.","C1 functionalization of imidazo heterocycles via carbon dioxide fixation","Chemical Communications","2023","","","","","10.1039/D3CC04597H","","","0.71073","MoKα","","0.0672","0.0417","","","0.0953","0.1098","","","","","","1.041","","","","has coordinates","287592","2023-11-14","22:55:13",""
"7132342","11.7816","0.0013","7.472","0.0007","18.3634","0.0018","90","","99.553","0.004","90","","1594.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Neochoritis, Constantinos G.; Fragkiadakis , Michael; Anastasiou, Paraskevi-Kleio; Volyrakis, Ioannis; Pantousas, Apostolos; Stoumpos, Constantinos C.","C1 functionalization of imidazo heterocycles via carbon dioxide fixation","Chemical Communications","2023","","","","","10.1039/D3CC04597H","","","0.71073","MoKα","","0.1188","0.0587","","","0.1322","0.1684","","","","","","1.018","","","","has coordinates","287592","2023-11-14","22:55:17",""
"7132343","13.2375","0.0003","13.737","0.0003","14.5028","0.0003","97.822","0.002","104.257","0.002","117.863","0.002","2160.41","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C94 H80 Br2 N2 O14 S2 -","- C94 H80 Br2 N2 O14 S2 -","- C94 H80 Br2 N2 O14 S2 -","1","1","","Wang, Ze-Shu; Xu, Hao-Jin; Chen, Yang-Bo; Ye, Long-Wu; Zhou, Bo; Qian, Peng-Cheng","Copper-catalyzed atroposelective formal [4+1] annulation of 1,2-diketones with vinyl cations","Chemical Communications","2023","","","","","10.1039/D3CC04817A","","x-ray","1.54184","CuKα","","0.0384","0.0375","","","0.0964","0.0973","","","","","","1.028","","","","has coordinates","287622","2023-11-15","22:55:38",""
"7132344","9.6256","0.0004","17.1012","0.0005","25.3585","0.0008","86.855","0.002","84.389","0.003","80.138","0.003","4089.8","0.2","273","","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H116 Cu N4 O8 -","- C92 H116 Cu N4 O8 -","- C184 H232 Cu2 N8 O16 -","2","1","","Kato, Hinako; Horii, Yoji; Noguchi, Mariko; Fujimori, Hiroki; Kajiwara, Takashi","Molecular elastic crystals exhibiting slow magnetic relaxations","Chemical Communications","2023","","","","","10.1039/D3CC04770A","","","0.71073","MoKα","","0.1142","0.0693","","","0.1748","0.2044","","","","","","1.018","","","","has coordinates,has disorder","287623","2023-11-15","22:56:16",""
"7132345","9.2061","0.0004","16.8734","0.0006","25.5653","0.0007","89.054","0.003","83.014","0.003","81.318","0.003","3896.6","0.2","123","","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H116 Cu N4 O8 -","- C92 H116 Cu N4 O8 -","- C184 H232 Cu2 N8 O16 -","2","1","","Kato, Hinako; Horii, Yoji; Noguchi, Mariko; Fujimori, Hiroki; Kajiwara, Takashi","Molecular elastic crystals exhibiting slow magnetic relaxations","Chemical Communications","2023","","","","","10.1039/D3CC04770A","","","0.71073","MoKα","","0.1253","0.083","","","0.2104","0.2897","","","","","","1.02","","","","has coordinates","287623","2023-11-15","22:56:17",""
"7132346","9.5607","0.0004","17.0874","0.0006","25.5066","0.0009","86.571","0.003","84.392","0.003","79.36","0.003","4072","0.3","213","","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H116 Cu N4 O8 -","- C92 H116 Cu N4 O8 -","- C184 H232 Cu2 N8 O16 -","2","1","","Kato, Hinako; Horii, Yoji; Noguchi, Mariko; Fujimori, Hiroki; Kajiwara, Takashi","Molecular elastic crystals exhibiting slow magnetic relaxations","Chemical Communications","2023","","","","","10.1039/D3CC04770A","","","0.71073","MoKα","","0.1645","0.0793","","","0.1684","0.2167","","","","","","1.016","","","","has coordinates,has disorder","287623","2023-11-15","22:56:17",""
"7132347","9.2898","0.0006","17.016","0.0006","25.7914","0.0012","88.749","0.003","82.945","0.005","81.204","0.004","3998.5","0.4","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H116 Cu N4 O8 -","- C92 H116 Cu N4 O8 -","- C184 H232 Cu2 N8 O16 -","2","1","","Kato, Hinako; Horii, Yoji; Noguchi, Mariko; Fujimori, Hiroki; Kajiwara, Takashi","Molecular elastic crystals exhibiting slow magnetic relaxations","Chemical Communications","2023","","","","","10.1039/D3CC04770A","","","0.71073","MoKα","","0.1777","0.0842","","","0.1704","0.2267","","","","","","0.981","","","","has coordinates","287623","2023-11-15","22:56:17",""
"7132348","12.20192","0.00015","28.9704","0.0004","13.67518","0.00016","90","","99.9543","0.0012","90","","4761.33","0.11","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(bipy)3][BPh4].THF","","- C58 H52 B N6 O Ru -","- C58 H52 B N6 O Ru -","- C232 H208 B4 N24 O4 Ru4 -","4","1","","Horsewill, Samuel J.; Cao, Chengyang; Dabney, Noah; Yang, Eric S.; Faulkner, Stephen; Scott, Daniel","Isolation of the elusive [Ru(bipy)3]+: a key intermediate in photoredox catalysis","Chemical Communications","2023","","","","","10.1039/D3CC04375D","","x-ray","1.54184","CuKα","","0.0326","0.027","","","0.0659","0.0693","","","","","","1.034","","","","has coordinates","287624","2023-11-15","22:56:56",""
"7132349","12.3868","0.0004","13.6724","0.0004","14.1067","0.0005","98.518","0.003","108.278","0.003","96.802","0.003","2208.65","0.14","150","2","149.9","0.6","","","","","","","","5","P -1","-P 1","2","","[Ru(bipy)3][BPh4].MeCN","","- C56 H47 B N7 Ru -","- C56 H47 B N7 Ru -","- C112 H94 B2 N14 Ru2 -","2","1","","Horsewill, Samuel J.; Cao, Chengyang; Dabney, Noah; Yang, Eric S.; Faulkner, Stephen; Scott, Daniel","Isolation of the elusive [Ru(bipy)3]+: a key intermediate in photoredox catalysis","Chemical Communications","2023","","","","","10.1039/D3CC04375D","","x-ray","0.71073","MoKα","","0.0604","0.0441","","","0.0851","0.0919","","","","","","1.052","","","","has coordinates","287624","2023-11-15","22:56:56",""
"7132350","13.3252","0.0003","16.7323","0.0005","15.454","0.0005","90","","100.961","0.003","90","","3382.78","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H94 Bi6 K2 O8 Y2 -","- C52 H94 Bi6 K2 O8 Y2 -","- C104 H188 Bi12 K4 O16 Y4 -","2","0.5","","Pugliese, Elizabeth R.; Benner, Florian; Demir, Selvan","Isolation of an organometallic yttrium bismuth cluster and elucidation of its electronic structure.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04520j","","x-ray","0.71073","MoKα","","0.0593","0.044","","","0.119","0.1281","","","","","","1.015","","","","has coordinates,has disorder","287625","2023-11-15","22:57:41",""
"7132351","9.4266","0.0002","17.1628","0.0003","16.8285","0.0003","90","","102.699","0.002","90","","2656.03","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 O Y -","- C30 H43 O Y -","- C120 H172 O4 Y4 -","4","1","","Pugliese, Elizabeth R.; Benner, Florian; Demir, Selvan","Isolation of an organometallic yttrium bismuth cluster and elucidation of its electronic structure.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04520j","","x-ray","0.71073","MoKα","","0.0444","0.0344","","","0.0674","0.0699","","","","","","1.053","","","","has coordinates","287625","2023-11-15","22:57:42",""
"7132352","7.9692","0.0011","9.4628","0.0012","22.723","0.003","84.954","0.005","84.216","0.006","70.775","0.005","1607","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H29 B F2 O3 S -","- C40 H29 B F2 O3 S -","- C80 H58 B2 F4 O6 S2 -","2","1","","Feng, Weixu; Wu, Yanhui; Chen, Dong; Lu, Sumin; Zhao, Yan; Yan, Hongxia","Ultra-Sensitive Ratiometric Fluorescent Thermometer Based on Monomer and Excimer Dual Emission","Chemical Communications","2023","","","","","10.1039/D3CC04441F","","","1.34139","GaKα","","0.0951","0.0706","","","0.1984","0.2188","","","","","","1.062","","","","has coordinates","287652","2023-11-16","22:55:05",""
"7132353","10.4074","0.0004","10.9429","0.0004","17.0594","0.0006","104.737","0.003","90.087","0.003","97.2","0.003","1862.99","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H55 Al N2 S -","- C41 H55 Al N2 S -","- C82 H110 Al2 N4 S2 -","2","1","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","","1.54184","CuKα","","0.0899","0.065","","","0.1728","0.1973","","","","","","1.04","","","","has coordinates","287653","2023-11-16","22:56:21",""
"7132354","27.9297","0.001","12.439","0.0004","41.634","0.002","90","","104.717","0.005","90","","13989.8","1","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.5 H50.6 Al N2 O S -","- C34 H47 Al N2 O S -","- C544 H752 Al16 N32 O16 S16 -","16","2","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","x-ray","1.54184","CuKα","","0.0753","0.0513","","","0.1207","0.1407","","","","","","1.024","","","","has coordinates","287653","2023-11-16","22:56:22",""
"7132355","10.5463","0.0004","22.1504","0.001","17.064","0.002","90","","90","","90","","3986.2","0.5","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H55 Al N2 S -","- C44 H55 Al N2 S -","- C176 H220 Al4 N8 S4 -","4","0.5","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","","1.54184","CuKα","","0.1342","0.0963","","","0.2744","0.3128","","","","","","1.071","","","","has coordinates,has disorder","287653","2023-11-16","22:56:22",""
"7132356","23.1152","0.0005","13.6692","0.0003","18.0823","0.0004","90","","90","","90","","5713.4","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C62 H86 Al2 N4 S -","- C62 H86 Al2 N4 S -","- C248 H344 Al8 N16 S4 -","4","1","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","","1.54184","CuKα","","0.0818","0.0522","","","0.0963","0.1155","","","","","","1.082","","","","has coordinates","287653","2023-11-16","22:56:22",""
"7132357","17.478","0.002","18.488","0.002","12.2139","0.0016","90","","100.786","0.005","90","","3877","0.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 O P Sb -","- C47 H48 O P Sb -","- C188 H192 O4 P4 Sb4 -","4","1","","Zhou, Benyu; Bedajna, Shantabh; Gabbaï, François P","Pnictogen bonding at the service of gold catalysis: the case of a phosphinostiborane gold complex.","Chemical communications (Cambridge, England)","2023","60","2","192","195","10.1039/d3cc04942f","","","0.71073","MoKα","","0.0767","0.0467","","","0.0905","0.1024","","","","","","1.062","","","","has coordinates,has disorder","289349","2024-02-04","11:11:17",""
"7132358","17.3843","0.0011","10.5399","0.0007","24.0882","0.0015","90","","107.186","0.002","90","","4216.6","0.5","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 Au Cl O P Sb -","- C47 H48 Au Cl O P Sb -","- C188 H192 Au4 Cl4 O4 P4 Sb4 -","4","1","","Zhou, Benyu; Bedajna, Shantabh; Gabbaï, François P","Pnictogen bonding at the service of gold catalysis: the case of a phosphinostiborane gold complex.","Chemical communications (Cambridge, England)","2023","60","2","192","195","10.1039/d3cc04942f","","","0.71073","MoKα","","0.0493","0.0302","","","0.0506","0.0547","","","","","","1.045","","","","has coordinates","289349","2024-02-04","11:11:17",""
"7132359","10.8607","0.0012","14.1687","0.0016","20.185","0.002","77.272","0.003","80.912","0.003","86.225","0.003","2990.2","0.6","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H78 Au Cl O4 P Sb -","- C65 H78 Au Cl O4 P Sb -","- C130 H156 Au2 Cl2 O8 P2 Sb2 -","2","1","","Zhou, Benyu; Bedajna, Shantabh; Gabbaï, François P","Pnictogen bonding at the service of gold catalysis: the case of a phosphinostiborane gold complex.","Chemical communications (Cambridge, England)","2023","60","2","192","195","10.1039/d3cc04942f","","","0.71073","MoKα","","0.0315","0.0241","","","0.0507","0.0537","","","","","","1.048","","","","has coordinates,has disorder","289349","2024-02-04","11:11:17",""
"7132360","10.577","0.0006","15.3832","0.0009","16.6017","0.0009","91.68","0.002","101.133","0.002","96.861","0.003","2627.6","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H68 O3 P Sb -","- C61 H68 O3 P Sb -","- C122 H136 O6 P2 Sb2 -","2","1","","Zhou, Benyu; Bedajna, Shantabh; Gabbaï, François P","Pnictogen bonding at the service of gold catalysis: the case of a phosphinostiborane gold complex.","Chemical communications (Cambridge, England)","2023","60","2","192","195","10.1039/d3cc04942f","","","0.71073","MoKα","","0.0356","0.0276","","","0.0611","0.0655","","","","","","1.047","","","","has coordinates","289349","2024-02-04","11:11:17",""
"7132361","15.5963","0.0005","8.0239","0.0002","17.6239","0.0005","90","","90","","90","","2205.51","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H25 N O3 S -","- C26 H25 N O3 S -","- C104 H100 N4 O12 S4 -","4","1","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34138","GaKα","","0.0336","0.0295","","","0.0668","0.0694","","","","","","1.038","","","","has coordinates","289324","2024-02-04","11:01:44",""
"7132362","17.6632","0.0006","6.9882","0.0002","18.3317","0.0006","90","","116.15","0.001","90","","2031.15","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34138","GaKα","","0.0461","0.0376","","","0.0912","0.0969","","","","","","1.05","","","","has coordinates","289324","2024-02-04","11:01:44",""
"7132363","18.9459","0.0009","9.6231","0.0004","28.0552","0.0013","90","","107.401","0.002","90","","4880.9","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H28 Cl N O3 S -","- C27.5 H28 Cl N O3 S -","- C220 H224 Cl8 N8 O24 S8 -","8","1","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34139","GaKα","","0.0481","0.0429","","","0.1097","0.1138","","","","","","1.058","","","","has coordinates,has disorder","289324","2024-02-04","11:01:44",""
"7132364","10.5744","0.001","11.146","0.001","23.328","0.002","90","","99.659","0.004","90","","2710.5","0.4","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C27 H35 Cl2 N O3 S -","- C27 H35 Cl2 N O3 S -","- C108 H140 Cl8 N4 O12 S4 -","4","2","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34139","GaKα","","0.0428","0.04","","","0.1058","0.1083","","","","","","1.04","","","","has coordinates","289324","2024-02-04","11:01:44",""
"7132365","9.2045","0.0006","10.3746","0.0007","12.3389","0.0008","105.482","0.002","102.087","0.002","92.734","0.002","1103.62","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C54 H54 N2 O6 S2 -","2","1","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34138","GaKα","","0.0382","0.0343","","","0.0886","0.0918","","","","","","1.04","","","","has coordinates","289324","2024-02-04","11:01:44",""
"7132366","8.5525","0.00007","11.72077","0.00009","22.80175","0.00018","90","","97.4775","0.0007","90","","2266.25","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Co I4 N2 -","- C17 H23 Co I4 N2 -","- C68 H92 Co4 I16 N8 -","4","1","","Zou, Minzhu; Waldie, Kate MacKenzie","Redox-Active Ligand Promoted Electrophile Addition at Cobalt","Chemical Communications","2023","","","","","10.1039/D3CC04869A","","","1.54184","CuKα","","0.0297","0.0284","","","0.0759","0.0769","","","","","","1.058","","","","has coordinates","287673","2023-11-17","22:54:49",""
"7132367","10.9754","0.0005","9.2478","0.0005","11.0627","0.0005","90","","90","","90","","1122.85","0.09","100","2","100","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C19 H23 Co F6 N2 O3 S -","- C19 H23 Co F6 N2 O3 S -","- C38 H46 Co2 F12 N4 O6 S2 -","2","0.5","","Zou, Minzhu; Waldie, Kate MacKenzie","Redox-Active Ligand Promoted Electrophile Addition at Cobalt","Chemical Communications","2023","","","","","10.1039/D3CC04869A","","","1.54184","CuKα","","0.0345","0.034","","","0.0853","0.0856","","","","","","1.088","","","","has coordinates","287673","2023-11-17","22:54:50",""
"7132368","9.228","0.0003","18.9005","0.0006","10.1686","0.0003","90","","108.165","0.003","90","","1685.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Co F3 N2 -","- C18 H23 Co F3 N2 -","- C72 H92 Co4 F12 N8 -","4","1","","Zou, Minzhu; Waldie, Kate MacKenzie","Redox-Active Ligand Promoted Electrophile Addition at Cobalt","Chemical Communications","2023","","","","","10.1039/D3CC04869A","","","1.54184","CuKα","","0.0325","0.0306","","","0.0719","0.0726","","","","","","1.052","","","","has coordinates","287673","2023-11-17","22:54:50",""
"7132369","7.9252","0.0008","9.8381","0.0009","12.6943","0.0012","98.475","0.001","107.944","0.001","106.441","0.001","872.76","0.15","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 O5 Si -","- C17 H26 O5 Si -","- C34 H52 O10 Si2 -","2","1","","Kawamoto, Yuichiro; Nishitani, Ayaka; Yoshimura, Yukari; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of highly oxygenated phomopsol B <i>via</i> acid-induced etherification to construct a bridged structure.","Chemical communications (Cambridge, England)","2023","60","1","95","97","10.1039/d3cc05130g","","x-ray","0.71073","MoKα","K-L~3~","0.0402","0.0369","","","0.0974","0.0998","","","","","","1.039","","","","has coordinates","289328","2024-02-04","11:02:35",""
"7132370","11.082","0.0004","7.9064","0.0003","29.1239","0.0014","90","","90","","90","","2551.8","0.18","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B2 Cl Rb S6 Sr3 -","- B2 Cl Rb S6 Sr3 -","- B16 Cl8 Rb8 S48 Sr24 -","8","1","","Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie","[RbSr<sub>3</sub>X][(BS<sub>3</sub>)<sub>2</sub>] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric.","Chemical communications (Cambridge, England)","2023","60","1","118","121","10.1039/d3cc05205b","","","0.71073","MoKα","","0.0541","0.0375","","","0.0866","0.0952","","","","","","1.051","","","","has coordinates","289326","2024-02-04","11:02:19",""
"7132371","15.044","0.004","10.978","0.003","7.8706","0.0019","90","","90","","90","","1299.9","0.6","300","","300","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- B2 Br Rb S6 Sr3 -","- B2 Br Rb S6 Sr3 -","- B8 Br4 Rb4 S24 Sr12 -","4","0.5","","Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie","[RbSr<sub>3</sub>X][(BS<sub>3</sub>)<sub>2</sub>] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric.","Chemical communications (Cambridge, England)","2023","60","1","118","121","10.1039/d3cc05205b","","","0.71073","MoKα","","0.0223","0.0222","","","0.0513","0.0514","","","","","","1.207","","","","has coordinates","289326","2024-02-04","11:02:19",""
"7132372","7.8461","0.001","15.301","0.0019","13.0363","0.0015","90","","98.601","0.004","90","","1547.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H29 B N O2 P -","- C40 H29 B N O2 P -","- C80 H58 B2 N2 O4 P2 -","2","1","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","","0.71073","MoKα","","0.0322","0.0307","","","0.0801","0.0812","","","","","","1.054","","","","has coordinates","287692","2023-11-20","22:57:49",""
"7132373","28.285","0.003","28.285","0.003","10.0973","0.0012","90","","90","","120","","6996","1.3","100.15","","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C40 H29 B N O2 P -","- C40 H29 B N O2 P -","- C360 H261 B9 N9 O18 P9 -","9","1","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","","0.71073","MoKα","","0.0683","0.0589","","","0.1241","0.1294","","","","","","1.21","","","","has coordinates","287692","2023-11-20","22:57:54",""
"7132374","12.44859","0.0001","37.3327","0.0002","16.40694","0.00015","90","","102.295","0.0008","90","","7450.06","0.1","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C190 H142 Cl2 N4 O8 P4 Rh2 -","- C190 H142 Cl2 N4 O8 P4 Rh2 -","- C380 H284 Cl4 N8 O16 P8 Rh4 -","2","1","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","x-ray","1.54184","CuKα","","0.0527","0.05","","","0.1298","0.1315","","","","","","1.02","","","","has coordinates,has disorder","287692","2023-11-20","22:57:54",""
"7132375","17.4039","0.0012","19.9901","0.0014","25.7764","0.0017","67.834","0.002","80.669","0.003","76.916","0.003","8060.1","1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C206.25 H152 Cl2 N4 O8 P4 Rh2 -","- C206.25 H152 Cl2 N4 O8 P4 Rh2 -","- C412.5 H304 Cl4 N8 O16 P8 Rh4 -","2","2","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","","0.71073","MoKα","","0.072","0.051","","","0.1072","0.117","","","","","","1.036","","","","has coordinates","287692","2023-11-20","22:57:54",""
"7132376","3.9049","0.0005","23.03","0.003","11.4621","0.0012","90","","92.136","0.007","90","","1030.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C H N O -","- C2.66667 H1.71429 N0.190476 O0.190476 -","- C56 H36 N4 O4 -","21","5.25","","Chand, Shiv; Sharma, Anup Kumar; Pandey, Anand Kumar; Singh, Krishna Nand","Synthesis of unsymmetrical ketones via dual catalysed cross-coupling of α,β-unsaturated carboxylic acids with aryldiazonium salts","Chemical Communications","2023","","","","","10.1039/D3CC04898E","","","1.54178","CuKα","","0.1108","0.0787","","","0.1751","0.1914","","","","","","1.048","","","","has coordinates","287693","2023-11-20","22:58:40",""
"7132377","11.5986","0.0004","12.6596","0.0005","13.1983","0.0005","78.37","0.002","64.275","0.002","76.951","0.003","1688.91","0.11","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 N4 O6 Zn -","- C37 H44 N4 O6 Zn -","- C74 H88 N8 O12 Zn2 -","2","1","","Di Zazzo, Lorena; Nardis, Sara; Caroleo, Fabrizio; Pizzoli, Francesco; Fronczek, Frank R.; Smith, Kevin M.; Berna, Beatrice Berionni; Paolesse, Roberto","5- and 10-oxocorroles from β-octaalkylcorroles.","Chemical communications (Cambridge, England)","2023","60","1","102","105","10.1039/d3cc05204d","","","0.71073","MoKα","","0.0572","0.0361","","","0.083","0.0902","","","","","","1.03","","","","has coordinates","289322","2024-02-04","11:01:18",""
"7132378","10.2436","0.001","11.0056","0.001","15.7208","0.0016","91.07","0.008","101.638","0.007","105.968","0.007","1663.7","0.3","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 N4 O6 Zn -","- C37 H44 N4 O6 Zn -","- C74 H88 N8 O12 Zn2 -","2","1","","Di Zazzo, Lorena; Nardis, Sara; Caroleo, Fabrizio; Pizzoli, Francesco; Fronczek, Frank R.; Smith, Kevin M.; Berna, Beatrice Berionni; Paolesse, Roberto","5- and 10-oxocorroles from β-octaalkylcorroles.","Chemical communications (Cambridge, England)","2023","60","1","102","105","10.1039/d3cc05204d","","","1.54184","CuKα","","0.0887","0.0489","","","0.1136","0.1292","","","","","","0.994","","","","has coordinates,has disorder","289322","2024-02-04","11:01:18",""
"7132379","6.7766","0.0001","8.3061","0.0002","29.6225","0.0006","90","","90","","90","","1667.37","0.06","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Cs O -","- C8 H7 Cs O -","- C64 H56 Cs8 O8 -","8","1","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","","1.54184","CuKα","","0.0584","0.0495","","","0.1305","0.1378","","","","","","1.057","","","","has coordinates","289325","2024-02-04","11:02:08",""
"7132380","12.6999","0.0001","8.7124","0.0001","12.2028","0.0001","90","","113.878","0.001","90","","1234.63","0.02","220","2","220","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O Rb -","- C14 H12 N O Rb -","- C56 H48 N4 O4 Rb4 -","4","1","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","x-ray","1.54184","CuKα","","0.025","0.0243","","","0.0636","0.064","","","","","","1.075","","","","has coordinates","289325","2024-02-04","11:02:09",""
"7132381","18.6607","0.0004","6.0929","0.0002","22.6838","0.0007","90","","90","","90","","2579.1","0.13","220","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cs N O -","- C14 H12 Cs N O -","- C112 H96 Cs8 N8 O8 -","8","2","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","","1.54184","CuKα","","0.0469","0.0389","","","0.097","0.1147","","","","","","1.194","","","","has coordinates","289325","2024-02-04","11:02:09",""
"7132382","25.4358","0.0003","15.8158","0.0002","26.622","0.0003","90","","92.424","0.001","90","","10700.1","0.2","200","2","200.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H57 O5.25 Rb3 -","- C57 H57 O5.25 Rb3 -","- C456 H456 O42 Rb24 -","8","1","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","","1.54184","CuKα","","0.0874","0.0482","","","0.1359","0.1802","","","","","","1.076","","","","has coordinates,has disorder","289325","2024-02-04","11:02:09",""
"7132383","13.3301","0.0002","16.647","0.0002","28.3794","0.0002","73.521","0.001","83.579","0.001","80.046","0.001","5934.82","0.13","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C20.76 H22.51 Cs O2.19 -","- C20.7567 H22.5133 Cs O2.1875 -","- C249.08 H270.16 Cs12 O26.25 -","12","6","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","","1.54184","CuKα","","0.0611","0.0507","","","0.1425","0.1511","","","","","","1.082","","","","has coordinates,has disorder","289325","2024-02-04","11:02:09",""
"7132384","9.6096","0.0016","8.767","0.0015","14.39","0.003","90","","104.067","0.006","90","","1176","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","Bhat, Showkat Ahmad; Ahmed, Qazi Naveed; Bhat, Khursheed Ahmad","DMSO-KOH mediated stereoselective synthesis of <i>Z</i>-enamides: an expeditious route to <i>Z</i>-enamide bearing natural products.","Chemical communications (Cambridge, England)","2023","60","1","114","117","10.1039/d3cc04642g","","","0.71073","MoKα","","0.0467","0.0417","","","0.1169","0.1212","","","","","","1.034","","","","has coordinates","289327","2024-02-04","11:02:27",""
"7132387","18.0726","0.0004","19.32","0.0004","25.3604","0.0005","98.4318","0.0018","90.6353","0.0018","110.969","0.002","8159.7","0.3","139.98","0.11","139.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C102 H225 N2 O42 Si21 U3 -","- C102 H225 N2 O42 Si21 U3 -","- C204 H450 N4 O84 Si42 U6 -","2","1","","Tricoire, Maxime; Jori, Nadir; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Z Ivković, Ivica; Natrajan, Louise S.; Mazzanti, Marinella","A trinuclear metallasilsesquioxane of uranium(III).","Chemical communications (Cambridge, England)","2023","60","1","55","58","10.1039/d3cc05390c","","x-ray","1.54184","CuKα","","0.0891","0.0634","","","0.165","0.1848","","","","","","1.038","","","","has coordinates","289321","2024-02-04","11:01:06",""
"7132388","14.7163","0.0007","22.3387","0.0009","24.009","0.0011","65.307","0.004","87.504","0.004","78.555","0.004","7021.6","0.6","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C93 H21 O36 Si21 U3 -","- C84 O36 Si21 U3 -","- C168 O72 Si42 U6 -","2","1","","Tricoire, Maxime; Jori, Nadir; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Z Ivković, Ivica; Natrajan, Louise S.; Mazzanti, Marinella","A trinuclear metallasilsesquioxane of uranium(III).","Chemical communications (Cambridge, England)","2023","60","1","55","58","10.1039/d3cc05390c","","x-ray","1.54184","CuKα","","0.1968","0.1307","","","0.349","0.3936","","","","","","1.202","","","","has coordinates,has disorder","289321","2024-02-04","11:01:06",""
"7132389","33.7165","0.0007","33.7274","0.0005","35.24","0.0009","90","","101.864","0.002","90","","39217.8","1.4","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 O48 Si28 U4 -","- C112 O48 Si28 U4 -","- C896 O384 Si224 U32 -","8","1","","Tricoire, Maxime; Jori, Nadir; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Z Ivković, Ivica; Natrajan, Louise S.; Mazzanti, Marinella","A trinuclear metallasilsesquioxane of uranium(III).","Chemical communications (Cambridge, England)","2023","60","1","55","58","10.1039/d3cc05390c","","x-ray","0.71073","MoKα","","0.1456","0.1234","","","0.3271","0.3366","","","","","","1.087","","","","has coordinates","289321","2024-02-04","11:01:06",""
"7132390","11.6169","0.0004","15.6243","0.0006","23.3222","0.0012","90","","94.169","0.004","90","","4221.9","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N2 O3 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Zhu, Zhi-Qiang; Hu, Jia-Yu; Xie, Zong-Bo; Le, Zhang-Gao","Visible-light-enabled cascade cross-dehydrogenative-coupling/cyclization to construct α-chromone substituted α-amino acid derivatives.","Chemical communications (Cambridge, England)","2023","60","1","106","109","10.1039/d3cc04107g","","x-ray","1.54184","CuKα","","0.1281","0.1168","","","0.3166","0.332","","","","","","1.272","","","","has coordinates","289323","2024-02-04","11:01:27",""
"7132391","10.11185","0.00014","13.81714","0.00017","15.0875","0.0002","90","","90","","90","","2107.98","0.05","220","0.1","220","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N3 O3 -","- C24 H18 Br N3 O3 -","- C96 H72 Br4 N12 O12 -","4","1","","Chen, Xiangjie; Zhao, Yujie; Huang, Cheng; Zhao, Zhifei; Zhao, Weiwei; Li, Shi-Wu","Catalytic asymmetric conjugate addition of coumarins to unsaturated ketones catalyzed by a chiral-at-metal Rh(III) complex.","Chemical communications (Cambridge, England)","2023","60","2","236","239","10.1039/d3cc04726a","","x-ray","1.54184","CuKα","","0.0304","0.0281","","","0.0694","0.0707","","","","","","1.037","","","","has coordinates","289352","2024-02-04","11:11:46",""
"7132392","14.32746","0.00007","12.45283","0.00005","34.81445","0.00013","90","","90","","90","","6211.5","0.05","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H41.5 Cu N5.5 -","- C35 H41.5 Cu N5.5 -","- C280 H332 Cu8 N44 -","8","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0319","0.0311","","","0.0836","0.0843","","","","","","1.039","","","","has coordinates,has disorder","289348","2024-02-04","11:10:46",""
"7132393","11.89392","0.00007","15.29071","0.00008","17.47129","0.0001","90","","100.826","0.0006","90","","3120.9","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cu N5 O -","- C35 H40 Cu N5 O -","- C140 H160 Cu4 N20 O4 -","4","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0475","0.0459","","","0.112","0.1128","","","","","","1.093","","","","has coordinates","289348","2024-02-04","11:10:47",""
"7132394","9.5755","0.0002","9.91553","0.00016","10.19785","0.00018","89.3747","0.0013","75.0262","0.0017","86.676","0.0015","933.79","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H32 Cu4 N4 -","- C48 H32 Cu4 N4 -","- C48 H32 Cu4 N4 -","1","0.5","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0355","0.0343","","","0.0952","0.0962","","","","","","1.073","","","","has coordinates","289348","2024-02-04","11:10:47",""
"7132395","12.7194","0.00011","13.23166","0.00017","20.6802","0.0002","106.722","0.001","106.808","0.0008","90.6783","0.0009","3173.69","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cu N5 O2 -","- C36 H44 Cu N5 O2 -","- C144 H176 Cu4 N20 O8 -","4","2","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0397","0.0376","","","0.1023","0.1041","","","","","","1.101","","","","has coordinates,has disorder","289348","2024-02-04","11:10:47",""
"7132396","11.9543","0.0004","12.2544","0.0004","15.0509","0.0005","99.545","0.003","104.493","0.003","110.466","0.003","1920.37","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H88 Cu4 N4 O5 -","- C100 H88 Cu4 N4 O5 -","- C100 H88 Cu4 N4 O5 -","1","0.5","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","","1.54184","CuKα","","0.102","0.0728","","","0.1636","0.1773","","","","","","1.062","","","","has coordinates,has disorder","289348","2024-02-04","11:10:47",""
"7132397","15.29636","0.00014","13.67332","0.0001","17.78811","0.00018","90","","114.721","0.0012","90","","3379.45","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cu N5 -","- C42 H44 Cu N5 -","- C168 H176 Cu4 N20 -","4","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0349","0.0321","","","0.0861","0.088","","","","","","1.06","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132398","17.1539","0.0004","20.3189","0.0005","13.4474","0.0003","90","","90","","90","","4687.07","0.19","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H72 Cu N5 O2 -","- C50 H72 Cu N5 O2 -","- C200 H288 Cu4 N20 O8 -","4","0.5","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","0.71073","MoKα","","0.0771","0.066","","","0.1807","0.188","","","","","","1.072","","","","has coordinates,has disorder","289348","2024-02-04","11:10:48",""
"7132399","10.2104","0.0002","10.755","0.0005","13.3061","0.0006","70.726","0.004","79.185","0.003","79.171","0.003","1342.23","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl4 Cu4 N4 O8 -","- C58 H52 Cl4 Cu4 N4 O8 -","- C58 H52 Cl4 Cu4 N4 O8 -","1","0.5","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0345","0.033","","","0.0917","0.0926","","","","","","1.116","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132400","18.82101","0.00012","16.82525","0.00012","21.49677","0.00017","90","","90","","90","","6807.34","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H44 Cu N5 -","- C42 H44 Cu N5 -","- C336 H352 Cu8 N40 -","8","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0424","0.0379","","","0.1072","0.1112","","","","","","1.078","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132401","15.10177","0.00005","19.65119","0.00007","20.19471","0.00009","90","","90","","90","","5993.14","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H42 Cu N5 -","- C34 H42 Cu N5 -","- C272 H336 Cu8 N40 -","8","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0344","0.0335","","","0.0896","0.0902","","","","","","1.076","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132402","13.72164","0.00007","14.80305","0.00006","18.99296","0.00009","90","","95.9445","0.0004","90","","3837.15","0.03","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 Cu N5 O -","- C46 H54 Cu N5 O -","- C184 H216 Cu4 N20 O4 -","4","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0306","0.0299","","","0.0784","0.0789","","","","","","1.044","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132411","11.0033","0.0004","15.9828","0.0005","19.388","0.0006","90","","90","","90","","3409.64","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C152 H144 Cl8 N8 O24 -","8","1","","Takeda, Norihiko; Maeda, Ryoya; Yasui, Motohiro; Ueda, Masafumi","Synthesis of oxime ethers <i>via</i> a formal reductive O-H bond insertion of oximes to α-keto esters.","Chemical communications (Cambridge, England)","2023","60","2","172","175","10.1039/d3cc05522a","","x-ray","0.71073","MoKα","","0.0638","0.0444","","","0.091","0.0974","","","","","","1.025","","","","has coordinates","289350","2024-02-04","11:11:29",""
"7132416","13.086","0.0012","12.9848","0.0009","25.954","0.003","90","","98.818","0.01","90","","4358","0.7","143","","143","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Ir2tpy2Cl2AN2PF6","","- C19 H17 Cl F6 Ir N5 P -","- C19 H17 Cl F6 Ir N5 P -","- C152 H136 Cl8 F48 Ir8 N40 P8 -","8","1","","Shimauchi, Daiki; Yatabe, Takeshi; Ikesue, Yuka; Kajiwara, Yuu; Koide, Taro; Ando, Tatsuya; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Storing electrons from H<sub>2</sub> for transfer to CO<sub>2</sub>, all at room temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc05285k","","x-ray","0.71073","MoKα","","0.0868","0.0487","","","0.085","0.0976","","","","","","1.023","","","","has coordinates","287858","2023-11-29","22:59:04",""
"7132417","14.1369","0.0005","12.5428","0.0004","22.7604","0.0007","90","","100.974","0.003","90","","3962","0.2","143","","143","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","IrtpyMeester","","- C19 H18 Cl Ir N4 O3 -","- C19 H18 Cl Ir N4 O3 -","- C152 H144 Cl8 Ir8 N32 O24 -","8","1","","Shimauchi, Daiki; Yatabe, Takeshi; Ikesue, Yuka; Kajiwara, Yuu; Koide, Taro; Ando, Tatsuya; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Storing electrons from H<sub>2</sub> for transfer to CO<sub>2</sub>, all at room temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc05285k","","x-ray","0.71073","MoKα","","0.043","0.0277","","","0.0566","0.0597","","","","","","1.032","","","","has coordinates","287858","2023-11-29","22:59:05",""
"7132421","11.978","0.003","9.923","0.003","14.449","0.004","90","","96.646","0.013","90","","1705.8","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","2","","Trinh, Tuan Anh; Fu, Yue; Hu, Derek B.; Zappia, Soren A.; Guzei, Ilia A.; Liu, Peng; Schomaker, Jennifer M.","Chemo- and enantioselective intramolecular silver-catalyzed aziridinations of carbamimidates.","Chemical communications (Cambridge, England)","2023","60","2","224","227","10.1039/d3cc05670h","","x-ray","0.71073","MoKα","K-L~3~","0.0241","0.0231","","","0.0577","0.0584","","","","","","1.057","","","","has coordinates,has disorder","289351","2024-02-04","11:11:38",""
"7132422","12.1441","0.0013","10.4866","0.0011","21.897","0.002","90","","97.791","0.003","90","","2762.8","0.5","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","","Biswas, Subhamoy; Shit, Sudip; Behera, Bipin Kumar; Sahu, Archana Kumari; Saikia, Anil K.","Leveraging cascade alkynyl Prins cyclization towards the stereoselective synthesis of spiro-furan quinazolinone scaffolds.","Chemical communications (Cambridge, England)","2023","59","96","14301","14304","10.1039/d3cc04464e","","","0.71073","MoKα","","0.0675","0.0528","","","0.152","0.1771","","","","","","1.061","","","","has coordinates","287980","2023-12-04","10:43:14",""
"7159003","8.3747","0.001","10.831","0.0012","18.463","0.002","90","","93.213","0.002","90","","1672.1","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Xie, Lei; Sun, Lei; Wu, Ping; Wang, Zhaoxue; Zhao, Chenyi; Wu, Lingang; Li, Xiaojing; Gao, Zhenzhen; Liu, Wanxing; Nie, Shao-Zhen","Organocatalytic cascade nucleophilic/aza-Michael addition reactions: metal-free catalytic strategy for the synthesis of hydantoins.","Organic & biomolecular chemistry","2023","21","11","2295","2300","10.1039/d2ob01825j","","","0.71073","MoKα","","0.0492","0.0387","","","0.101","0.1089","","","","","","1.051","","","","has coordinates","283471","2023-05-05","03:22:41",""
"7159004","7.99848","0.00014","10.47849","0.00019","18.8198","0.0003","90","","90","","90","","1577.32","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0384","0.0371","","","0.1055","0.1064","","","","","","1.071","","","","has coordinates","283490","2023-05-05","03:28:56",""
"7159005","17.4716","0.0006","49.5734","0.0018","5.8374","0.0002","90","","90","","90","","5055.9","0.3","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C240 H272 N16 O32 -","16","1","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0828","0.0702","","","0.1778","0.1891","","","","","","1.166","","","","has coordinates","283490","2023-05-05","03:28:57",""
"7159006","7.99688","0.00014","10.47544","0.00019","18.8109","0.0003","90","","90","","90","","1575.8","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-tolualdehyde cyanohydrin","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0412","0.0408","","","0.1163","0.1166","","","","","","1.11","","","","has coordinates","283490","2023-05-05","03:29:00",""
"7159010","9.5195","0.0002","9.5196","0.0002","11.9808","0.0003","104.374","0.007","96.543","0.007","109.84","0.008","965.62","0.09","133","","133","","","","","","","","","4","P 1","P 1","1","","","","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","1","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0404","0.0375","","","0.09","0.0918","","","","","","1.026","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159011","9.77455","0.00019","17.1488","0.0003","24.9042","0.0005","90","","90","","90","","4174.49","0.14","133","","133","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H66 N4 O8 -","- C38 H64 N4 O8 -","- C152 H256 N16 O32 -","4","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0604","0.0481","","","0.1172","0.1239","","","","","","1.051","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159012","9.84115","0.00018","34.7841","0.0006","10.1782","0.00018","90","","117.487","0.008","90","","3090.8","0.2","133","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H91 Cl3 N6 O9 -","- C55 H91 Cl3 N6 O9 -","- C110 H182 Cl6 N12 O18 -","2","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0941","0.0677","","","0.1326","0.1437","","","","","","1.082","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159023","11.2594","0.0006","17.7861","0.0011","17.1349","0.001","90","","92.839","0.002","90","","3427.2","0.3","297","2","297","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H35 Br F N3 O4 S -","- C38 H35 Br F N3 O4 S -","- C152 H140 Br4 F4 N12 O16 S4 -","4","2","","Prasad, Madavi S.; Sivaprakash, Murugesan","Asymmetric synthesis of the perhydroepoxyethanoindole core <i>via</i> sequential [4 + 2]-addition/reduction/fluoroannulation reactions.","Organic & biomolecular chemistry","2023","21","2","339","344","10.1039/d2ob02058k","","","0.71073","MoKα","","0.0718","0.0463","","","0.0849","0.0942","","","","","","1.007","","","","has coordinates","281577","2023-03-04","18:41:35",""
"7159025","5.7573","0.0003","8.3305","0.0006","30.537","0.002","90","","90","","90","","1464.59","0.16","293.1","1","293.1","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-phenylnaphtho[2,1-b]thiophen-1-amine","","- C18 H13 N S -","- C18 H13 N S -","- C72 H52 N4 S4 -","4","1","","Nguyen, Hoang Yen; Tran, Thi Minh Chau; Nguyen, Van Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh","Reaction of 1-acetonaphthones with anilines and elemental sulfur: rapid construction of 1-anilinonaphtho[2,1-<i>b</i>]thiophenes.","Organic & biomolecular chemistry","2023","21","3","503","507","10.1039/d2ob01898e","","x-ray","0.71073","MoKα","","0.0688","0.0463","","","0.1207","0.1335","","","","","","1.027","","","","has coordinates","283494","2023-05-05","03:30:05",""
"7159027","5.0257","0.0015","17.525","0.005","16.304","0.005","90","","92.944","0.01","90","","1434.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N O3 -","- C16 H13 F2 N O3 -","- C64 H52 F8 N4 O12 -","4","1","","Li, Ningbo; Wang, Yuxin; Gu, Shuo; Hu, Chuqian; Yang, Qian; Jin, Zhaohui; Ouyang, Wen-Tao; Qiao, Jie; He, Wei-Min","Visible-light-initiated external photocatalyst-free synthesis of α,α-difluoro-β-ketoamides from 4-aminocoumarins.","Organic & biomolecular chemistry","2023","21","2","370","374","10.1039/d2ob01914k","","","0.71073","MoKα","","0.1844","0.063","","","0.1172","0.152","","","","","","1.007","","","","has coordinates","281578","2023-03-04","18:41:40",""
"7159029","5.759","0.002","16.083","0.006","10.639","0.004","90","","97.483","0.004","90","","977","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 F3 N O0 Se -","- C23 H16 F3 N Se -","- C46 H32 F6 N2 Se2 -","2","1","","Wei, Guangming; Zhang, Jiajun; Wang, Haoyuan; Chen, Zhengkai; Wu, Xiao-Feng","Radical selenylative cyclization of trifluoromethyl propargyl imines for the synthesis of trifluoromethyl- and seleno-azaspiro[4,5]-tetraenones and quinolines.","Organic & biomolecular chemistry","2023","21","2","284","288","10.1039/d2ob02033e","","","0.71073","MoKα","","0.0612","0.0456","","","0.1106","0.129","","","","","","0.978","","","","has coordinates","281576","2023-03-04","18:41:28",""
"7159030","9.6357","0.0006","12.2218","0.0008","14.9472","0.001","90","","90","","90","","1760.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Ma, Tao; He, Yonghui; Qiao, Xiu-Xiu; Zou, Chang-Peng; Wu, Xi-Xi; Li, Ganpeng; Zhao, Xiao-Jing","Chiral phosphoric acid-catalyzed enantioselective aza-Friedel-Crafts reaction of naphthols and electron-rich phenols with 2-aryl-3<i>H</i>-indol-3-ones.","Organic & biomolecular chemistry","2023","21","3","489","493","10.1039/d2ob02179j","","","1.54178","CuKα","","0.0335","0.0317","","","0.0836","0.0852","","","","","","1.067","","","","has coordinates","283491","2023-05-05","03:29:14",""
"7159031","6.69","0.003","9.57","0.004","21.704","0.009","90","","95.203","0.011","90","","1383.8","1","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C62 H68 N4 O8 -","2","0.25","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.1361","0.1316","","","0.3936","0.4012","","","","","","1.978","","","","has coordinates,has disorder","281574","2023-03-04","18:41:16",""
"7159032","5.9143","0.0013","10.376","0.002","7.9856","0.0018","90","","105.79","0.006","90","","471.56","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C18 H32 N2 O4 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.081","0.0857","","","","","","1.134","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159033","22.51","0.009","9.475","0.003","6.564","0.003","90","","94.085","0.006","90","","1396.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C64 H68 N4 O4 -","2","0.5","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.1288","0.0967","","","0.2473","0.2806","","","","","","0.948","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159034","7.9818","0.0009","7.9818","0.0009","15.057","0.002","90","","90","","90","","959.3","0.2","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.0495","0.0491","","","0.1073","0.1078","","","","","","1.142","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159035","5.8003","0.0011","5.8739","0.0012","14.924","0.004","89.862","0.019","86.02","0.019","69.143","0.014","473.87","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","1","0.5","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.1057","0.076","","","0.2021","0.2187","","","","","","0.958","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159036","7.8822","0.0019","7.8822","0.0019","16.118","0.004","90","","90","","90","","1001.4","0.4","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O3 -","- C9 H14 N O3 -","- C36 H56 N4 O12 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0693","0.0393","","","0.0638","0.0705","","","","","","0.949","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159037","7.7049","0.0009","8.1609","0.0017","10.0105","0.0016","102.84","0.03","94.37","0.02","117.329","0.01","533.5","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H17.56 N2 O2.44 -","- C9 H17.563 N2 O2.437 -","- C18 H35.126 N4 O4.874 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0731","0.0578","","","0.142","0.1494","","","","","","1.125","","","","has coordinates,has disorder","281574","2023-03-04","18:41:17",""
"7159038","9.4876","0.0009","10.2177","0.0011","12.7098","0.0014","90","","90","","90","","1232.1","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br2 N O -","- C10 H14 Br2 N O -","- C40 H56 Br8 N4 O4 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0222","0.0188","","","0.0421","0.0426","","","","","","1.001","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159039","8.1283","0.0004","10.6899","0.0006","15.0823","0.0007","90","","90","","90","","1310.51","0.12","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 F2 N O3 S -","- C13 H11 F2 N O3 S -","- C52 H44 F8 N4 O12 S4 -","4","1","","Sanz-Marco, Amparo; Esperilla, Daniel; Montesinos-Magraner, Marc; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.; Blay, Gonzalo","A Cu-BOX catalysed enantioselective Mukaiyama-aldol reaction with difluorinated silyl enol ethers and acylpyridine N-oxides","Organic & Biomolecular Chemistry","2023","21","2","345","350","10.1039/D2OB01763F","","","0.71073","MoKα","","0.0739","0.0397","","","0.09","0.1096","","","","","","1","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7159045","19.976","0.0012","6.7233","0.0003","14.7489","0.001","90","","100.337","0.005","90","","1948.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Psammaplin B","(E)-3-(3'-bromo-4'-hydroxyphenyl)-2-(hydroxyimino)-N-(2''-thiocyanatoethyl)proppanamide ethyl acetate","","- C16 H20 Br N3 O5 S -","- C16 H20 Br N3 O5 S -","- C64 H80 Br4 N12 O20 S4 -","4","1","","Grundke, Caroline; Groß, Jonathan; Vierengel, Nina; Sirleaf, Jason; Schmitz, Matthias; Krieger, Leonie; Opatz, Till","Complementary mechanochemical and biphasic approaches for the synthesis of organic thiocyanates using hexacyanoferrates as non-toxic cyanide sources.","Organic & biomolecular chemistry","2023","21","3","644","650","10.1039/d2ob02216h","","","0.71073","MoKα","","0.0619","0.0437","","","0.0869","0.0966","","","","","","1.134","","","","has coordinates","283492","2023-05-05","03:29:38",""
"7159046","9.9977","0.0007","10.0721","0.0007","10.6301","0.0008","73.343","0.007","82.375","0.006","63.636","0.007","918.83","0.13","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","(E)-4,4-dimethyl-1-(3-nitro-1H-indol-1-yl)-1-phenylpent-1-en-3-one","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Dutta, Lona; Chattopadhyay, Anwita; Yadav, Nisha; Ramasastry, S. S. V.","Phosphine-catalysed denitrative rearomatising (3 + 2) annulation of α,β-ynones and 3-nitroindoles.","Organic & biomolecular chemistry","2023","21","4","738","742","10.1039/d2ob02180c","","x-ray","0.71073","MoKα","","0.11","0.0648","","","0.1642","0.2074","","","","","","1.024","","","","has coordinates,has disorder","281568","2023-03-04","18:40:33",""
"7159047","9.3597","0.0008","18.0931","0.0015","7.444","0.0008","90","","96.26","0.008","90","","1253.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Shirinkin, Alexander S.; Kornev, Mikhail Y.; Sosnovskikh, Vyacheslav Y.","A novel strategy for the functionalization and design of 4-methylene-4<i>H</i>-pyran merocyanines <i>via</i> enamination and 1,8-conjugate addition.","Organic & biomolecular chemistry","2023","21","3","600","620","10.1039/d2ob01862d","","x-ray","0.71073","MoKα","","0.1391","0.0694","","","0.1681","0.2367","","","","","","1.022","","","","has coordinates","283493","2023-05-05","03:30:00",""
"7159048","4.803","0.003","15.071","0.011","17.003","0.012","94.37","0.02","93.8","0.02","97.93","0.02","1211.8","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","2","","Dutta, Nilakshi; Dutta, Bidyutjyoti; Dutta, Apurba; Sarma, Bipul; Sarma, Diganta","Room temperature ligand-free Cu<sub>2</sub>O-H<sub>2</sub>O<sub>2</sub> catalyzed tandem oxidative synthesis of quinazoline-4(3<i>H</i>)-one and quinazoline derivatives.","Organic & biomolecular chemistry","2023","21","4","748","753","10.1039/d2ob02085h","","","0.71073","MoKα","","0.3482","0.0635","","","0.1195","0.2078","","","","","","0.805","","","","has coordinates","281572","2023-03-04","18:41:00",""
"7159049","8.1378","0.0001","24.1686","0.0004","10.0882","0.0002","90","","111.523","0.001","90","","1845.79","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O3 -","- C22 H21 N3 O3 -","- C88 H84 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0536","0.0421","","","0.1019","0.1092","","","","","","1.024","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159050","8.3902","0.0002","11.0278","0.0002","14.1048","0.0003","70.487","0.001","84.727","0.001","72.34","0.001","1172.06","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C50 H54 N6 O12 -","2","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.062","0.045","","","0.1017","0.1111","","","","","","1.019","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159051","8.026","0.0002","18.0409","0.0004","10.1247","0.0002","90","","90","","90","","1466.02","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0367","0.0304","","","0.0718","0.0729","","","","","","1.022","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159052","7.7044","0.0001","12.9589","0.0002","20.3448","0.0003","90","","92.514","0.001","90","","2029.28","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N3 O3 -","- C22 H19 Cl2 N3 O3 -","- C88 H76 Cl8 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0404","0.0335","","","0.0823","0.0865","","","","","","1.027","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159053","10.0935","0.0001","13.2224","0.0001","28.2845","0.0002","90","","93.901","0.001","90","","3766.11","0.05","298.3","0.3","298.3","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Br N O9 S -","- C31 H30 Br N O9 S -","- C124 H120 Br4 N4 O36 S4 -","4","1","","Lin, Meng-Ling; Zheng, Ting; Liu, Hao; Wang, Ying-Xu; Dong, Lin","Three-component acyloxylation of diazo compounds with carboxylic acids and azadienes.","Organic & biomolecular chemistry","2023","21","5","925","929","10.1039/d2ob02133a","","x-ray","1.54184","CuKα","","0.0441","0.041","","","0.1229","0.1258","","","","","","1.065","","","","has coordinates","281567","2023-03-04","18:40:26",""
"7159054","15.456","0.006","8.301","0.003","13.506","0.005","90","","102.264","0.007","90","","1693.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O5 -","- C17 H20 F N O5 -","- C68 H80 F4 N4 O20 -","4","1","","Lv, Yanxia; Hou, Zhong-Wei; Wang, Yi; Li, Pinhua; Wang, Lei","Electrochemical monofluoroalkylation cyclization of <i>N</i>-arylacrylamides to construct monofluorinated 2-oxindoles.","Organic & biomolecular chemistry","2023","21","5","1014","1020","10.1039/d2ob01883g","","","0.71073","MoKα","","0.0765","0.0474","","","0.1143","0.1245","","","","","","1.069","","","","has coordinates","281566","2023-03-04","18:40:19",""
"7159055","12.4038","0.0019","6.0006","0.0009","18.43","0.003","90","","105.886","0.004","90","","1319.4","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","van der Loo, Cornelis H. M.; Schim van der Loeff, Rutger; Martín, Avelino; Gomez-Sal, Pilar; Borst, Mark L. G.; Pouwer, Kees; Minnaard, Adriaan J.","π-Facial selectivity in the Diels-Alder reaction of glucosamine-based chiral furans and maleimides.","Organic & biomolecular chemistry","2023","21","9","1888","1894","10.1039/d2ob02221d","","","0.71073","MoKα","","0.0859","0.0452","","","0.0804","0.0962","","","","","","1.035","","","","has coordinates","283461","2023-05-05","03:19:40",""
"7159056","15.094","0.003","18.129","0.003","14.04","0.002","90","","90","","90","","3841.9","1.1","144.98","","144.98","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C168 H164 N12 O24 -","- C168 H164 N12 O24 -","- C168 H164 N12 O24 -","1","0.25","","Das, Arnab; Ghosh, Atanu; Sinha, Surajit","C5-pyrimidine-functionalized morpholino oligonucleotides exhibit differential binding affinity, target specificity and lipophilicity.","Organic & biomolecular chemistry","2023","21","6","1242","1253","10.1039/d2ob01759h","","","0.71073","MoKα","","0.0805","0.0493","","","0.1117","0.1314","","","","","","1.026","","","","has coordinates","281582","2023-03-04","18:42:17",""
"7159057","9.4913","0.0002","11.5055","0.0002","19.8764","0.0004","90","","95.697","0.002","90","","2159.82","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-chlorophenyl)-5-(5-oxo-1,5-diphenylpent-1-yn-3-yl)furan-2(5H)-one","","- C27 H19 Cl O3 -","- C27 H19 Cl O3 -","- C108 H76 Cl4 O12 -","4","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0723","0.0635","","","0.1766","0.1844","","","","","","1.051","","","","has coordinates","281569","2023-03-04","18:40:41",""
"7159058","23.368","0.0005","13.3744","0.0003","12.7991","0.0003","90","","95.115","0.002","90","","3984.21","0.16","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C216 H160 O24 -","8","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0635","0.0452","","","0.1141","0.1259","","","","","","1.045","","","","has coordinates","281569","2023-03-04","18:40:41",""
"7159059","7.608","0.0003","10.7491","0.0003","13.6882","0.0004","104.255","0.002","103.185","0.003","102.624","0.003","1010.59","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C50 H38 N2 O10 -","2","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0498","0.0412","","","0.1077","0.1224","","","","","","1.099","","","","has coordinates","281569","2023-03-04","18:40:41",""
"7159060","5.537","0.003","11.122","0.005","13.317","0.006","100.097","0.006","96.581","0.006","96.739","0.006","794.1","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C38 H30 Br2 N4 O2 -","2","1","","Chen, Wenxi; Mao, Yan; Wang, Min; Ling, Fei; Li, Changchang; Chen, Zhangpei; Yao, Jinzhong","Rh(III)-catalyzed [4 + 1] cyclization of aryl substituted pyrazoles with cyclopropanols <i>via</i> C-H activation.","Organic & biomolecular chemistry","2023","21","4","775","782","10.1039/d2ob02001g","","","0.71073","MoKα","","0.0563","0.0364","","","0.07","0.0752","","","","","","1.024","","","","has coordinates","281571","2023-03-04","18:40:55",""
"7159061","13.321","0.002","6.8496","0.0011","18.783","0.003","90","","110.77","","90","","1602.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Sarkar, Prabhat; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Metal-free, I<sub>2</sub>-promoted direct synthesis of 2-cyano-substituted maleimides <i>via</i> a unique 3,3-dicyano-2-arylacrylic acid intermediate.","Organic & biomolecular chemistry","2023","21","4","789","796","10.1039/d2ob01725c","","","0.71073","MoKα","","0.0972","0.0597","","","0.1521","0.1796","","","","","","0.979","","","","has coordinates","281573","2023-03-04","18:41:07",""
"7159062","10.9737","0.0017","7.6375","0.0012","17.77","0.003","90","","102.947","0.005","90","","1451.5","0.4","164","2","164","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O3 -","- C18 H12 N2 O3 -","- C72 H48 N8 O12 -","4","1","","Sarkar, Prabhat; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Metal-free, I<sub>2</sub>-promoted direct synthesis of 2-cyano-substituted maleimides <i>via</i> a unique 3,3-dicyano-2-arylacrylic acid intermediate.","Organic & biomolecular chemistry","2023","21","4","789","796","10.1039/d2ob01725c","","","0.71073","MoKα","","0.0649","0.0555","","","0.1642","0.1756","","","","","","1.003","","","","has coordinates","281573","2023-03-04","18:41:07",""
"7159063","8.342","0.003","12.518","0.005","13.597","0.005","87.692","0.005","75.65","0.006","77.497","0.006","1342.8","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","0918","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","2","","Wu, Qingkun; Hou, Jingxuan; Gu, Qingshan; Gao, Hui; Shi, Meiqi; Zheng, Lu","PhI(OAc)<sub>2</sub>/Pd(OAc)<sub>2</sub> promoted the formation of 8-hydroxyquinoline derivatives from benzoxazoles and alcohols.","Organic & biomolecular chemistry","2023","21","6","1148","1152","10.1039/d2ob01712a","","","0.71073","MoKα","","0.1067","0.0554","","","0.1165","0.1416","","","","","","1.0148","","","","has coordinates","281581","2023-03-04","18:42:10",""
"7159064","10.03496","0.00017","12.9944","0.0002","13.45263","0.0002","71.2298","0.0014","77.3026","0.0013","82.5521","0.0014","1616.99","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H34 O4 S2 -","- C39 H34 O4 S2 -","- C78 H68 O8 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0415","0.0365","","","0.0955","0.0986","","","","","","1.103","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159065","10.0372","0.0002","13.1158","0.0002","13.3176","0.0003","70.533","0.002","77.497","0.002","82.641","0.001","1610.8","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 F O4 S2 -","- C39 H33 F O4 S2 -","- C78 H66 F2 O8 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0407","0.0375","","","0.1009","0.1032","","","","","","1.069","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159066","10.1215","0.0003","12.73","0.0003","13.7066","0.0004","76","0.002","76.377","0.003","83.538","0.002","1662.49","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 O5 S2 -","- C40 H36 O5 S2 -","- C80 H72 O10 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0383","0.0342","","","0.0908","0.0934","","","","","","1.077","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159067","13.4129","0.0003","9.4208","0.0002","20.8615","0.0004","90","","99.682","0.002","90","","2598.52","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0399","0.0359","","","0.0953","0.0977","","","","","","1.056","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159068","4.896","0.005","10.615","0.012","26.62","0.03","90","","90","","90","","1383","3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C64 H48 I4 N4 O4 -","4","1","","Deng, Haowen; Wang, Jianshe; He, Wei; Ye, Yang; Bai, Renren; Zhang, Xuelei; Ye, Xiang-Yang; Xie, Tian; Hui, Zi","Microwave-assisted rapid synthesis of chiral oxazolines.","Organic & biomolecular chemistry","2023","21","11","2312","2319","10.1039/d2ob02192g","","","0.71073","MoKα","","0.0765","0.0346","","","0.0581","0.0695","","","","","","0.997","","","","has coordinates","283473","2023-05-05","03:23:04",""
"7159069","10.5837","0.0011","14.4099","0.0013","12.4674","0.0013","90","","90.773","0.004","90","","1901.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Raji Reddy, Chada; Nair, Karna; Patil, Amol D.; Donthiri, Ramachandra Reddy; Grée, René","Domino alkyne insertion/aldol reaction/aromatization of 2-alkynyl indole-3-carbaldehyde with 1,3-diketones: entry to 2-indolyl phenols","Organic & Biomolecular Chemistry","2023","21","5","1046","1055","10.1039/D2OB02025D","","","0.71073","MoKα","","0.0978","0.0666","","","0.144","0.1642","","","","","","1.072","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159070","8.012","0.0001","11.4236","0.0002","18.6445","0.0003","90","","101.794","0.002","90","","1670.43","0.05","104.3","0.8","104.3","0.8","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 N O5 Si2 -","- C32 H53 N O5 Si2 -","- C64 H106 N2 O10 Si4 -","2","1","","Earl, Andrew D. W.; Li, Freda F.; Ma, Chao; Furkert, Daniel P.; Brimble, Margaret A.","Stereoselective synthesis of the spirocyclic core of 13-desmethyl spirolide C using an aza-Claisen rearrangement and an <i>exo</i>-selective Diels-Alder cycloaddition.","Organic & biomolecular chemistry","2023","21","6","1222","1234","10.1039/d2ob01992b","","x-ray","1.54184","CuKα","","0.034","0.0311","","","0.0735","0.0747","","","","","","1.037","","","","has coordinates","281583","2023-03-04","18:42:22",""
"7159071","23.9849","0.0014","14.481","0.0008","12.3512","0.0006","90","","117.884","0.003","90","","3791.8","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0898","0.0728","","","0.2117","0.2296","","","","","","1.072","","","","has coordinates","281570","2023-03-04","18:40:49",""
"7159072","9.7168","0.0002","13.2364","0.0003","24.3055","0.0005","90","","90","","90","","3126.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0257","0.0255","","","0.0651","0.0652","","","","","","1.035","","","","has coordinates,has disorder","281570","2023-03-04","18:40:49",""
"7159073","14.5446","0.0012","7.9372","0.0006","15.4692","0.0013","90","","107.17","0.003","90","","1706.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H35 Cl N2 O7 S -","- C36 H35 Cl N2 O7 S -","- C72 H70 Cl2 N4 O14 S2 -","2","1","","Prasad, Madavi S.; Sivaprakash, Murugesan; Bharani, Sankar; Chowhan, L. Raju","Trienamine catalysed unprecedented remote olefin <i>E</i>/<i>Z</i> isomerisation/[4 + 2]-cycloaddition reaction to access spirooxindole hexahydroindoles.","Organic & biomolecular chemistry","2023","21","5","945","949","10.1039/d2ob02228a","","","0.71073","MoKα","","0.0898","0.0542","","","0.1133","0.1314","","","","","","1.033","","","","has coordinates","281564","2023-03-04","18:40:07",""
"7159074","16.0354","0.0008","8.8058","0.0004","21.4285","0.0011","90","","101.895","0.002","90","","2960.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Cl2 N O3 -","- C32 H21 Cl2 N O3 -","- C128 H84 Cl8 N4 O12 -","4","1","","Guan, Pengcheng; Ma, Rong; Liu, Minghui; Kong, Lingkai; Han, Yu; Wang, Chengyu","AlCl<sub>3</sub>-catalyzed chemoselective cascade reactions of 4-anilinocoumarins with 2-furylcarbinols: access to densely functionalized chromeno[4,3-<i>b</i>]pyrrol-4(1<i>H</i>)-one derivatives.","Organic & biomolecular chemistry","2023","21","7","1379","1383","10.1039/d2ob02248f","","","0.71073","MoKα","","0.0613","0.0498","","","0.1301","0.1364","","","","","","1.057","","","","has coordinates","281593","2023-03-04","18:44:22",""
"7159075","14.7295","0.0001","15.7269","0.0001","22.3191","0.0002","108.009","0.0006","104.293","0.0006","93.4445","0.0006","4712.21","0.07","93","2","93","2","","","","","","","","4","P -1","-P 1","2","asymetrically substituted tripyrrin","1-(3,5-di-tert-butyl)phenylamino-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin","","- C108 H114 F12 N10 -","- C108 H114 F12 N10 -","- C216 H228 F24 N20 -","2","1","","Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki","Double helices of dissymmetrical α,α'-disubstituted tripyrrins.","Organic & biomolecular chemistry","2023","21","6","1158","1162","10.1039/d2ob02125k","","","1.54184","CuKα","","0.05","0.0477","","","0.1255","0.1274","","","","","","1.031","","","","has coordinates,has disorder","281580","2023-03-04","18:42:01",""
"7159076","28.6554","0.0004","15.7158","0.0002","16.5684","0.0002","90","","91.549","0.001","90","","7458.73","0.17","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4-methoxyphenylamino)-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin","","- C42 H31 Cl2 F6 N5 O -","- C42 H31 Cl2 F6 N5 O -","- C336 H248 Cl16 F48 N40 O8 -","8","1","","Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki","Double helices of dissymmetrical α,α'-disubstituted tripyrrins.","Organic & biomolecular chemistry","2023","21","6","1158","1162","10.1039/d2ob02125k","","","1.54184","CuKα","","0.0726","0.0699","","","0.2076","0.2104","","","","","","1.102","","","","has coordinates,has disorder","281580","2023-03-04","18:42:01",""
"7159077","9.0597","0.001","10.5126","0.001","15.4673","0.0014","90","","91.397","0.009","90","","1472.7","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Roy, Moumita Singha; Meng, Xiaofeng; Koda, Karuna; Shrestha, Andrina; Putman, Joshua I.; Gout, Delphine; Armstrong, Daniel W.; Lovely, Carl J.","Total synthesis of haploscleridamine, villagorgin A and an approach towards lissoclin C.","Organic & biomolecular chemistry","2023","21","7","1422","1434","10.1039/d2ob01908f","","x-ray","0.71073","MoKα","","0.0761","0.0761","","","0.0447","0.0447","","","","1.54","1.54","1.54","","","","has coordinates","281591","2023-03-04","18:44:09",""
"7159078","10.5924","0.001","12.6329","0.0011","15.3842","0.0017","90","","92.6","0.004","90","","2056.5","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C96 H100 N12 S4 -","4","1","","Ye, Peng; Li, Huan-Le; Pu, Jun; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Iridium-catalysed thioether-directed regioselective cycloaddition of internal alkynes with azides.","Organic & biomolecular chemistry","2023","21","7","1389","1394","10.1039/d2ob02082c","","x-ray","0.71073","MoKα","","0.1071","0.0719","","","0.1808","0.2034","","","","","","1.033","","","","has coordinates","281588","2023-03-04","18:43:39",""
"7159079","18.218","0.0006","18.4206","0.0006","29.4522","0.001","105.871","0.003","95.14","0.003","114.061","0.003","8450.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C262 H266 Cl24 N40 O42 -","- C262 H176 Cl24 N40 O42 -","- C262 H176 Cl24 N40 O42 -","1","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","1.54184","CuKα","","0.1777","0.1624","","","0.4515","0.4671","","","","","","1.811","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37",""
"7159080","25.12","0.005","27.45","0.006","40.02","0.008","90","","90","","90","","27596","10","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C245.7 H233.7 Cl23.69 N40 O42 -","- C245.036 H139.696 Cl23.696 N40 O42 -","- C980.144 H558.784 Cl94.784 N160 O168 -","4","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","0.81","synchrotron","","0.1606","0.1596","","","0.544","0.548","","","","","","3.204","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37",""
"7159081","6.03944","0.00015","12.8249","0.0003","27.8674","0.0008","90","","90","","90","","2158.48","0.1","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","2","","Liu, Wen; Wang, Liang; Mu, Haiping; Zhang, Qian; Fang, Zeguo; Li, Dong","Synthesis of cyano-substituted γ-lactams through a copper-catalyzed cascade cyclization/cyanation reaction.","Organic & biomolecular chemistry","2023","","","","","10.1039/d2ob02086f","","x-ray","1.54184","CuKα","","0.063","0.0472","","","0.1161","0.1326","","","","","","1.032","","","","has coordinates","280409","2023-01-18","03:32:59",""
"7159082","7.2778","0.0002","10.1592","0.0004","10.846","0.0004","91.681","0.003","102.741","0.003","101.624","0.003","763.84","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","diethyl (phenyl(propionamido)methyl)phosphonate","","- C14 H22 N O4 P -","- C14 H22 N O4 P -","- C28 H44 N2 O8 P2 -","2","1","","Varga, Petra Regina; Karaghiosoff, Konstantin; Sári, Éva Viktória; Simon, András; Hegedűs, László; Drahos, László; Keglevich, György","New N-acyl- as well as N-phosphonoylmethyl- and N-phosphinoylmethyl-α-amino-benzylphosphonates by acylation and a tandem Kabachnik–Fields protocol","Organic & Biomolecular Chemistry","2023","21","8","1709","1718","10.1039/D3OB00010A","","","0.71073","MoKα","","0.0486","0.039","","","0.0998","0.1072","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159083","6.786","0.002","15.114","0.005","24.774","0.008","90","","90","","90","","2540.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O3 Si -","- C23 H36 N2 O3 Si -","- C92 H144 N8 O12 Si4 -","4","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF<sub>6</sub>-catalyzed C3 <i>aza</i>-Friedel-Crafts alkylation of <i>N</i>,<i>O</i>-acetals with indoles for the synthesis of <i>N-α</i> indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0788","0.0489","","","0.1138","0.1339","","","","","","1.016","","","","has coordinates","281585","2023-03-04","18:42:45",""
"7159084","10.206","0.0005","11.4624","0.0006","12.4467","0.0006","90","","106.937","0.002","90","","1392.92","0.12","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O3 Si -","- C27 H44 N2 O3 Si -","- C54 H88 N4 O6 Si2 -","2","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF<sub>6</sub>-catalyzed C3 <i>aza</i>-Friedel-Crafts alkylation of <i>N</i>,<i>O</i>-acetals with indoles for the synthesis of <i>N-α</i> indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0435","0.04","","","0.1032","0.1071","","","","","","1.044","","","","has coordinates,has disorder","281585","2023-03-04","18:42:45",""
"7159085","8.6384","0.0009","19.8168","0.0019","9.4404","0.0011","90","","99.588","0.01","90","","1593.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C20H14N2O3","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Padmavathi, Rayavarapu; Babu, Srinivasarao Arulananda","Pd(II)-catalyzed selective β-C-H functionalization of azobenzene carboxamides.","Organic & biomolecular chemistry","2023","21","13","2689","2694","10.1039/d2ob02261c","","x-ray","0.71073","MoKα","","0.0817","0.0507","","","0.131","0.1634","","","","","","1.043","","","","has coordinates","283450","2023-05-05","03:16:53",""
"7159086","13.5849","0.0003","10.6443","0.0003","15.6105","0.0004","90","","100.498","0.001","90","","2219.52","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 F3 N O4 -","- C25 H30 F3 N O4 -","- C100 H120 F12 N4 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.058","","","0.0986","0.1151","","","","","","1.008","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159087","9.0266","0.0017","11.611","0.002","20.467","0.003","90","","90","","90","","2145.1","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F3 N O4 -","- C24 H28 F3 N O4 -","- C96 H112 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.059","0.0458","","","0.0942","0.1003","","","","","","1.033","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159088","7.0711","0.0013","10.67","0.002","15.423","0.003","90","","100.581","0.004","90","","1143.9","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 F3 N O4 -","- C26 H32 F3 N O4 -","- C52 H64 F6 N2 O8 -","2","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","x-ray","0.71073","MoKα","","0.0518","0.0414","","","0.1015","0.1102","","","","","","1.044","","","","has coordinates,has disorder","281587","2023-03-04","18:43:32",""
"7159089","7.9944","0.0002","11.8989","0.0003","25.114","0.0006","90","","90","","90","","2388.96","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 F3 N O4 -","- C27 H34 F3 N O4 -","- C108 H136 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.0337","0.0315","","","0.0766","0.0779","","","","","","1.02","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159090","10.0899","0.0007","7.6365","0.0005","26.1261","0.0017","90","","98.814","0.003","90","","1989.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.0997","","","0.2873","0.29","","","","","","1.457","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159091","8.86737","0.00003","15.02535","0.00006","17.36072","0.00007","90","","91.6634","0.0003","90","","2312.09","0.015","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F3 N3 -","- C29 H24 F3 N3 -","- C116 H96 F12 N12 -","4","1","","Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long","The B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>·H<sub>2</sub>O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.","Organic & biomolecular chemistry","2023","21","7","1478","1486","10.1039/d2ob02241a","","x-ray","1.54184","CuKα","","0.0381","0.0377","","","0.0925","0.0928","","","","","","1.073","","","","has coordinates","281592","2023-03-04","18:44:16",""
"7159092","9.3177","0.0001","11.8518","0.0001","19.9301","0.0002","96.903","0.001","93.425","0.001","106.005","0.001","2090.29","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F2 N3 O -","- C26 H21 F2 N3 O -","- C104 H84 F8 N12 O4 -","4","2","","Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long","The B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>·H<sub>2</sub>O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.","Organic & biomolecular chemistry","2023","21","7","1478","1486","10.1039/d2ob02241a","","x-ray","1.54184","CuKα","","0.0389","0.0376","","","0.0909","0.0918","","","","","","1.009","","","","has coordinates","281592","2023-03-04","18:44:16",""
"7159093","10.912","0.005","13.188","0.006","13.432","0.007","63.593","0.006","77.553","0.007","72.143","0.007","1640.8","1.4","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O4 -","- C37 H30 O4 -","- C74 H60 O8 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.1313","0.0642","","","0.1768","0.2149","","","","","","0.931","","","","has coordinates","283451","2023-05-05","03:17:09",""
"7159094","10.123","0.0006","11.5763","0.0008","14.0706","0.0009","89.032","0.002","77.087","0.002","80.029","0.002","1582.51","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 N O2 S Si -","- C32 H39 N O2 S Si -","- C64 H78 N2 O4 S2 Si2 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","","0.71073","MoKα","","0.1248","0.0653","","","0.1711","0.2137","","","","","","1.012","","","","has coordinates,has disorder","283451","2023-05-05","03:17:11",""
"7159095","11.57","0.0008","12.6302","0.0008","15.0893","0.001","111.575","0.002","96.279","0.002","102.106","0.002","1962.3","0.2","300","","300","","","","","","","","","4","P -1","-P 1","2","","8a-ok","","- C42 H46 O4 Si -","- C42 H46 O4 Si -","- C84 H92 O8 Si2 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.1182","0.0598","","","0.1584","0.1923","","","","","","1.037","","","","has coordinates,has disorder","283451","2023-05-05","03:17:21",""
"7159096","25.511","0.003","14.995","0.003","15.259","0.002","90","","115.37","0.006","90","","5274.2","1.4","273","2","273.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 O4 -","- C35 H26 O4 -","- C280 H208 O32 -","8","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.129","0.075","","","0.1883","0.2271","","","","","","1.091","","","","has coordinates","283451","2023-05-05","03:17:23",""
"7159097","9.286","0.006","21.161","0.016","18.146","0.013","90","","90.84","0.02","90","","3565","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R,7aS)-3-(4-Chlorophenyl)-7,7-dimethyl-7a-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-d][1,2,4]oxadiazol-5-ol","","- C38 H38 Cl2 N4 O4 -","- C38 H38 Cl2 N4 O4 -","- C152 H152 Cl8 N16 O16 -","4","1","","Ivanova, Evgeniya E.; Shabalin, Dmitrii A.; Ushakov, Igor' A.; Vashchenko, Alexander V.; Schmidt, Elena Yu; Trofimov, Boris A.","Diastereoselective synthesis of tetrahydropyrrolo[1,2-<i>d</i>]oxadiazoles from functionalized Δ<sup>1</sup>-pyrrolines and <i>in situ</i> generated nitrile oxides.","Organic & biomolecular chemistry","2023","21","8","1725","1736","10.1039/d2ob02230c","","","0.71073","MoKα","","0.121","0.05","","","0.0952","0.1172","","","","","","1.025","","","","has coordinates","281561","2023-03-04","18:39:46",""
"7159098","14.5995","0.0002","10.0324","0.0002","27.7318","0.0005","90","","104.995","0.0018","90","","3923.5","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 N3 O7 S2 -","- C43 H45 N3 O7 S2 -","- C172 H180 N12 O28 S8 -","4","1","","Zhou, Shun; Qian, Hui-Ling; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yin, Jun-Qing; Zhang, Yan-Ping; Chen, Ming-Feng; Yuan, Wei-Cheng","Diastereoselective synthesis of polycyclic indolines <i>via</i> dearomative [4 + 2] cycloaddition of 3-nitroindoles with <i>ortho</i>-aminophenyl <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","7","1373","1378","10.1039/d2ob02303b","","x-ray","1.54184","CuKα","","0.0696","0.0552","","","0.1513","0.1659","","","","","","1.035","","","","has coordinates,has disorder","281586","2023-03-04","18:42:51",""
"7159099","8.3525","0.0007","11.4569","0.0009","14.7293","0.0011","90","","90.936","0.002","90","","1409.31","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.0659","0.0446","","","0.0863","0.0968","","","","","","1.048","","","","has coordinates","281558","2023-03-04","18:39:07",""
"7159100","5.695","0.003","15.637","0.008","15.874","0.008","90","","90","","90","","1413.6","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.2664","0.0851","","","0.1763","0.2597","","","","","","0.916","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159101","15.974","0.007","5.729","0.003","18.827","0.011","90","","119.69","0.011","90","","1496.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.1547","0.06","","","0.1467","0.1955","","","","","","1.014","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159102","10.61","0.002","12.799","0.003","14.258","0.003","63.537","0.005","72.847","0.005","80.933","0.005","1655.5","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","2","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.1253","0.0566","","","0.1508","0.1983","","","","","","1.026","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159103","7.6673","0.0018","10.263","0.002","20.044","0.004","90","","95.911","0.005","90","","1568.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Rhodium(III)-catalyzed oxidative annulation of <i>N</i>-arylbenzamidines with maleimides <i>via</i> dual C-H activation.","Organic & biomolecular chemistry","2023","21","8","1719","1724","10.1039/d2ob01972h","","","0.71073","MoKα","","0.0786","0.0494","","","0.123","0.142","","","","","","1.065","","","","has coordinates","281557","2023-03-04","18:38:59",""
"7159104","18.464","0.002","7.3813","0.0009","21.18","0.002","90","","110.522","0.005","90","","2703.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C144 H88 N24 O16 -","8","2","","Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Rhodium(III)-catalyzed oxidative annulation of <i>N</i>-arylbenzamidines with maleimides <i>via</i> dual C-H activation.","Organic & biomolecular chemistry","2023","21","8","1719","1724","10.1039/d2ob01972h","","","0.71073","MoKα","","0.0971","0.0598","","","0.1481","0.1731","","","","","","1.013","","","","has coordinates","281557","2023-03-04","18:38:59",""
"7159105","15.9413","0.0002","11.7661","0.0001","19.6971","0.0002","90","","90","","90","","3694.52","0.07","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 S -","- C23 H20 O3 S -","- C184 H160 O24 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0806","0.0823","","","","","","1.06","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159106","9.7982","0.0003","13.2829","0.0004","16.3495","0.0004","113.228","0.002","99","0.002","97.42","0.002","1888.14","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 O6 S2 -","- C46 H40 O6 S2 -","- C92 H80 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0429","0.0367","","","0.0968","0.1005","","","","","","1.051","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159107","9.6718","0.0003","10.5127","0.0002","12.847","0.0003","113.403","0.002","103.061","0.002","99.138","0.002","1121.72","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C58 H48 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0398","0.0359","","","0.0941","0.097","","","","","","1.056","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159108","10.3517","0.0001","14.6496","0.0002","16.2001","0.0003","85.358","0.001","75.291","0.001","69.754","0.001","2229.33","0.06","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cl6 F2 O6 S2 -","- C46 H36 Cl6 F2 O6 S2 -","- C92 H72 Cl12 F4 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1337","0.1374","","","","","","1.053","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159109","10.3072","0.0001","14.275","0.0003","15.3721","0.0004","62.701","0.002","86.646","0.002","73.353","0.001","1918.57","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 O6 S2 -","- C40 H38 O6 S2 -","- C80 H76 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0699","0.0566","","","0.1609","0.1681","","","","","","1.066","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159110","9.1316","0.0002","12.7947","0.0003","14.486","0.0004","106.306","0.002","107.568","0.002","98.437","0.002","1498.28","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H36 O6 -","- C38 H36 O6 -","- C76 H72 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0542","0.0413","","","0.1025","0.1081","","","","","","1.116","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159111","11.1955","0.0004","13.5009","0.0006","14.0064","0.0006","91.424","0.003","109.342","0.004","107.452","0.004","1887.39","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O8 S2 -","- C42 H36 O8 S2 -","- C84 H72 O16 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0897","0.0623","","","0.1425","0.152","","","","","","1.059","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159112","16.1182","0.0003","11.9825","0.0002","20.408","0.0004","90","","105.952","0.002","90","","3789.75","0.13","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 S -","- C23 H22 O4 S -","- C184 H176 O32 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0502","0.0456","","","0.1285","0.1315","","","","","","1.103","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159113","9.7564","0.0002","14.7638","0.0002","17.1919","0.0003","90","","101.078","0.001","90","","2430.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C120 H104 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0415","0.0357","","","0.0919","0.0952","","","","","","1.077","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159114","14.1278","0.0003","16.6555","0.0003","17.1139","0.0003","85.246","0.002","87.858","0.002","74.443","0.002","3865.64","0.13","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.29 H10.35 O1.41 S0.47 -","- C11.2941 H10.3529 O1.41176 S0.470588 -","- C192 H176 O24 S8 -","17","8.5","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0779","0.0579","","","0.1527","0.163","","","","","","1.06","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159115","15.231","0.002","8.7746","0.001","18.051","0.003","90","","101.917","0.014","90","","2360.4","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C30H24N4O","","- C30 H24 N4 O -","- C30 H24 N4 O -","- C120 H96 N16 O4 -","4","1","","Suwasia, Sonam; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda","Pd(II)-catalyzed coupling of C-H bonds of carboxamides with iodoazobenzenes toward modified azobenzenes.","Organic & biomolecular chemistry","2023","21","8","1793","1813","10.1039/d2ob02322a","","x-ray","0.71073","MoKα","","0.3211","0.1101","","","0.2698","0.423","","","","","","0.928","","","","has coordinates","281562","2023-03-04","18:39:52",""
"7159116","13.2258","0.0005","8.0745","0.0003","19.2139","0.0008","90","","109.317","0.001","90","","1936.37","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 S -","- C24 H15 F N2 S -","- C96 H60 F4 N8 S4 -","4","1","","Sahoo, Ashish Kumar; Rakshit, Amitava; Pan, Avishek; Dhara, Hirendra Nath; Patel, Bhisma K.","Visible/solar-light-driven thiyl-radical-triggered synthesis of multi-substituted pyridines.","Organic & biomolecular chemistry","2023","21","8","1680","1691","10.1039/d3ob00009e","","","0.71073","MoKα","","0.0601","0.0407","","","0.0973","0.1182","","","","","","1.037","","","","has coordinates","281559","2023-03-04","18:39:14",""
"7159117","11.691","0.0019","10.8177","0.0018","13.581","0.002","90","","99.087","0.005","90","","1696","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1E,4Z,6E)-5-hydroxy-1,7-bis(4-methoxyphenyl)hepta-1,4,6-trien-3-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel","Curcumin-based molecular probes for fluorescence imaging of fungi","Organic & Biomolecular Chemistry","2023","21","7","1531","1536","10.1039/D2OB01872A","","","0.71073","MoKα","","0.0646","0.0465","","","0.1311","0.1483","","","","","","1.084","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159118","8.84","0.02","10.7","0.03","11.53","0.03","66.33","0.05","75.73","0.07","85.18","0.05","968","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2-difluoro-4,6-bis((E)-4-methoxystyryl)-2H-1l3,3,2l4-dioxaborinine","","- C23 H23 B F2 O4.5 -","- C23 H23 B F2 O4.5 -","- C46 H46 B2 F4 O9 -","2","1","","Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel","Curcumin-based molecular probes for fluorescence imaging of fungi","Organic & Biomolecular Chemistry","2023","21","7","1531","1536","10.1039/D2OB01872A","","","0.71073","MoKα","","0.0894","0.0543","","","0.1264","0.1442","","","","","","1.023","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159119","6.2441","0.0003","25.3839","0.0008","8.4223","0.0003","90","","101.995","0.004","90","","1305.78","0.09","298.37","0.1","298.37","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O2.994 -","- C56 H60 N12 O11.976 -","4","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene <i>N</i>,<i>S</i>-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0688","0.061","","","0.1816","0.1895","","","","","","1.099","","","","has coordinates,has disorder","281590","2023-03-04","18:44:03",""
"7159120","8.1791","0.0001","19.9839","0.0003","20.2957","0.0003","90","","90","","90","","3317.34","0.08","298.98","0.1","298.98","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F N2 O3 S -","- C18 H15 F N2 O3 S -","- C144 H120 F8 N16 O24 S8 -","8","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene <i>N</i>,<i>S</i>-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0953","0.0986","","","","","","1.056","","","","has coordinates","281590","2023-03-04","18:44:03",""
"7159121","8.0523","0.0017","13.171","0.003","17.268","0.004","90","","90","","90","","1831.4","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Belabbes, Asmaa; Retamosa, María Gracia; Foubelo, Francisco; Sirvent, Ana; Nájera, Carmen; Yus, Miguel; Sansano, José M","Pseudo-multicomponent 1,3-dipolar cycloaddition involving metal-free generation of unactivated azomethine ylides.","Organic & biomolecular chemistry","2023","21","9","1927","1936","10.1039/d3ob00023k","","","0.71073","MoKα","","0.0963","0.0447","","","0.0844","0.1038","","","","","","0.967","","","","has coordinates","283460","2023-05-05","03:19:34",""
"7159122","6.873","0.0014","20.799","0.004","12.761","0.003","90","","104.29","0.03","90","","1767.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N O4 -","- C21 H20 N O4 -","- C84 H80 N4 O16 -","4","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0688","0.0649","","","0.1968","0.2021","","","","","","1.138","","","","has coordinates","281560","2023-03-04","18:39:38",""
"7159123","5.8355","0.0002","11.8125","0.0005","14.5365","0.0006","110.197","0.004","96.116","0.003","91.402","0.003","933.05","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","x-ray","0.71073","MoKα","","0.0634","0.0483","","","0.1236","0.1327","","","","","","1.07","","","","has coordinates","281560","2023-03-04","18:39:39",""
"7159124","10.664","0.002","34.087","0.007","8.888","0.0018","90","","94.83","0.03","90","","3219.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39.75 N2 O6.25 -","- C36 H39.75 N2 O6.25 -","- C144 H159 N8 O25 -","4","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0647","0.0623","","","0.174","0.1762","","","","","","1.057","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39",""
"7159125","8.681","0.0017","20.795","0.004","17.362","0.004","90","","91.3","0.03","90","","3133.4","1.1","100","","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N2 O6 -","- C34 H34 N2 O6 -","- C136 H136 N8 O24 -","4","2","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0879","0.0801","","","0.2142","0.228","","","","","","1.037","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39",""
"7159126","22.7717","0.0003","10.3216","0.0002","30.7588","0.0005","90","","90","","90","","7229.6","0.2","93.15","","93.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C96 H64 N16 -","- C96 H64 N16 -","- C384 H256 N64 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0579","0.0453","","","0.1125","0.1213","","","","","","1.032","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159127","7.93703","0.00015","15.3896","0.0003","16.2323","0.0003","90","","101.588","0.007","90","","1942.32","0.08","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 F12 N4 -","- C20 H8 F12 N4 -","- C80 H32 F48 N16 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","","1.54187","CuKα","","0.0614","0.0547","","","0.1485","0.1548","","","","","","1.032","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159128","9.1606","0.0002","24.5485","0.0006","9.1691","0.0002","90","","100.233","0.002","90","","2029.14","0.08","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H96 N16 O20 -","- C84 H96 N16 O20 -","- C84 H96 N16 O20 -","1","0.5","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.1611","0.1315","","","0.3082","0.3433","","","","","","1.289","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159129","11.8372","0.0001","23.7847","0.0002","15.4728","0.0001","90","","102.643","0.001","90","","4250.65","0.06","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N10 O2 -","- C46 H54 N10 O2 -","- C184 H216 N40 O8 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0552","0.0483","","","0.1289","0.1345","","","","","","1.029","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159130","5.4722","0.0005","12.8218","0.0009","8.8354","0.0009","90","","105.364","0.01","90","","597.77","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0801","0.0767","","","0.2031","0.2065","","","","","","1.106","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159131","9.7675","0.0001","23.1204","0.0002","13.4373","0.0001","90","","98.672","0.001","90","","2999.83","0.05","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","","1.54184","CuKα","","0.0403","0.0385","","","0.098","0.0992","","","","","","1.044","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159132","7.5883","0.0004","10.7072","0.0006","18.4766","0.001","83.372","0.005","83.439","0.004","78.335","0.005","1453.99","0.14","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0488","0.0398","","","0.097","0.1012","","","","","","1.02","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159133","11.9019","0.0002","7.0079","0.0001","17.7102","0.0003","90","","102.749","0.002","90","","1440.74","0.04","102","5","102","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 O12 -","- C68 H96 O12 -","- C68 H96 O12 -","1","0.25","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0873","0.0727","","","0.227","0.2859","","","","","","1.306","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159134","8.2032","0.0003","9.4524","0.0004","11.3516","0.0005","70.439","0.004","69.026","0.004","81.96","0.003","774.25","0.06","297.97","0.1","297.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0419","0.0397","","","0.0999","0.1014","","","","","","1.055","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159135","14.2304","0.0003","8.42504","0.00017","26.0136","0.0005","90","","104.012","0.002","90","","3026.01","0.11","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10.46 H14.15 O2.46 -","- C10.4615 H14.1538 O2.46154 -","- C136 H184 O32 -","13","3.25","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.1193","0.087","","","0.2097","0.2222","","","","","","1.256","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159136","5.9066","0.0005","11.7075","0.0007","17.8583","0.0017","90","","94.904","0.008","90","","1230.41","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0723","0.0498","","","0.132","0.1439","","","","","","1.084","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159137","11.4095","0.0005","11.5799","0.0005","11.8088","0.0005","103.504","0.004","93.744","0.004","100.253","0.004","1483.49","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 O6 -","- C34 H48 O6 -","- C68 H96 O12 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0463","0.0395","","","0.1046","0.1079","","","","","","1.088","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159138","9.424","0.004","9.886","0.004","10.482","0.004","69.255","0.012","76.26","0.014","89.585","0.014","883.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C40 H38 N2 O6 S2 -","2","1","","Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran","Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds <i>via</i> a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.","Organic & biomolecular chemistry","2023","21","10","2069","2080","10.1039/d3ob00087g","","","0.71073","MoKα","","0.0626","0.054","","","0.1469","0.1548","","","","","","1.031","","","","has coordinates","283432","2023-05-05","03:10:03",""
"7159139","26.464","0.011","9.374","0.004","19.7","0.01","90","","130.263","0.013","90","","3729","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C168 H160 N16 O24 S8 -","8","1","","Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran","Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds <i>via</i> a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.","Organic & biomolecular chemistry","2023","21","10","2069","2080","10.1039/d3ob00087g","","","0.71073","MoKα","","0.0939","0.0728","","","0.1944","0.2074","","","","","","1.032","","","","has coordinates,has disorder","283432","2023-05-05","03:10:03",""
"7159140","7.6322","0.0005","14.823","0.0011","15.0281","0.0012","83.056","0.007","82.898","0.006","89.355","0.006","1674.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N S2 -","- C21 H17 N S2 -","- C84 H68 N4 S8 -","4","2","","Chen, Shanping; Li, Zhuoqin; Hu, Kai; Feng, Wei; Mao, Guojiang; Xiao, Fuhong; Deng, Guo-Jun","Three-component selective synthesis of phenothiazines and bis-phenothiazines under metal-free conditions.","Organic & biomolecular chemistry","2023","21","9","1920","1926","10.1039/d3ob00055a","","x-ray","0.71073","MoKα","","0.0819","0.0687","","","0.1862","0.1993","","","","","","1.058","","","","has coordinates","281599","2023-03-04","18:45:25",""
"7159141","6.7853","0.0001","9.8587","0.0001","28.5856","0.0002","90","","90","","90","","1912.21","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O3 -","- C21 H31 N O3 -","- C84 H124 N4 O12 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0803","0.0817","","","","","","1.064","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159142","7.4277","0.0001","10.9119","0.0001","20.6052","0.0002","90","","90","","90","","1670.06","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0824","0.0826","","","","","","1.065","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159143","6.48213","0.00005","15.3945","0.00009","17.15474","0.00011","90","","90","","90","","1711.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.029","0.0284","","","0.0762","0.0767","","","","","","1.043","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159144","7.8043","0.0001","7.9255","0.0001","14.7343","0.0001","74.454","0.001","77.638","0.001","88.287","0.001","857.296","0.017","100.55","0.1","100.55","0.1","","","","","","","","4","P -1","-P 1","2","4B","","","- C22 H18 F2 O3 -","- C22 H18 F2 O3 -","- C44 H36 F4 O6 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0403","0.0359","","","0.0888","0.0923","","","","","","1.069","","","","has coordinates","283457","2023-05-05","03:18:42",""
"7159145","8.6257","0.0003","10.2667","0.0003","10.6007","0.0003","86.328","0.002","76.801","0.003","87.255","0.003","911.56","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","4J","","","- C23 H21 F O4 -","- C23 H21 F O4 -","- C46 H42 F2 O8 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0486","0.0366","","","0.0917","0.0998","","","","","","1.035","","","","has coordinates","283457","2023-05-05","03:18:52",""
"7159146","9.1455","0.0001","9.4692","0.0001","11.2256","0.0001","102.202","0.001","91.572","0.001","100.076","0.001","933.428","0.017","103.8","0.3","103.8","0.3","","","","","","","","3","P -1","-P 1","2","4K","","","- C23 H24 O5 -","- C23 H24 O5 -","- C46 H48 O10 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0376","0.0346","","","0.0947","0.0974","","","","","","1.064","","","","has coordinates","283457","2023-05-05","03:18:55",""
"7159147","17.3929","0.0002","15.7397","0.0001","21.0528","0.0002","90","","112.606","0.001","90","","5320.59","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H51 N15 O6 S3 -","- C54 H51 N15 O6 S3 -","- C216 H204 N60 O24 S12 -","4","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0413","0.0355","","","0.1009","0.1053","","","","","","1.053","","","","has coordinates","281554","2023-03-04","18:38:32",""
"7159148","9.6178","0.0001","12.1204","0.0001","14.8624","0.0001","90","","99.539","0.001","90","","1708.58","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br2 N3 S -","- C17 H13 Br2 N3 S -","- C68 H52 Br8 N12 S4 -","4","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0849","0.0863","","","","","","1.05","","","","has coordinates","281554","2023-03-04","18:38:33",""
"7159149","18.341","0.0002","7.2916","0.0001","25.2961","0.0002","90","","106.696","0.001","90","","3240.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-chlorophenyl)-2-(2-nitrobenzylidene)hydrazinyl)thiazole","","- C16 H11 Cl N4 O2 S -","- C16 H11 Cl N4 O2 S -","- C128 H88 Cl8 N32 O16 S8 -","8","2","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0369","0.0323","","","0.0892","0.0924","","","","","","1.05","","","","has coordinates","281554","2023-03-04","18:38:33",""
"7159150","5.107","0.004","24.81","0.02","9.865","0.008","90","","92.955","0.017","90","","1248.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","2","","Aich, Shobhon; Nandi, Rajesh; Chatterjee, Nirbhik; Gayen, Krishnanka S.; Pal, Subhasis; Maiti, Dilip K.","Catalytic I<sub>2</sub>-moist DMSO-mediated synthesis of valuable α-amidohydroxyketones and unsymmetrical <i>gem</i>-bisamides from benzimidates.","Organic & biomolecular chemistry","2023","21","12","2524","2530","10.1039/d3ob00165b","","","0.71073","MoKα","","0.1834","0.0829","","","0.1819","0.2395","","","","","","1.028","","","","has coordinates","283480","2023-05-05","03:24:52",""
"7159151","8.2419","0.0015","10.5399","0.0019","11.222","0.002","99.154","0.003","93.011","0.003","102.359","0.003","936.3","0.3","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O -","- C25 H21 N O -","- C50 H42 N2 O2 -","2","1","","Ma, Jin-Tian; Chen, Ting; Chen, Xiang-Long; Zhou, You; Yu, Zhi-Cheng; Zhuang, Shi-Yi; Wu, Yan-Dong; Xiang, Jia-Chen; Wu, An-Xin","Aniline assisted dimerization of phenylalanines: convenient synthesis of 2-aroyl-3-arylquinoline in an I<sub>2</sub>-DMSO system.","Organic & biomolecular chemistry","2023","21","10","2091","2095","10.1039/d2ob02283d","","","0.71073","MoKα","","0.072","0.0567","","","0.1652","0.187","","","","","","1.04","","","","has coordinates","283435","2023-05-05","03:10:28",""
"7159152","21.0341","0.0005","12.7886","0.0002","26.3878","0.0006","90","","109.626","0.003","90","","6685.9","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H63 Cl3 N2 O10 -","- C73 H63 Cl3 N2 O10 -","- C292 H252 Cl12 N8 O40 -","4","1","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones <i>via</i> [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.0865","0.071","","","0.2077","0.2252","","","","","","1.023","","","","has coordinates","281596","2023-03-04","18:44:57",""
"7159153","10.6287","0.0009","11.9136","0.0007","12.2552","0.0009","90","","113.667","0.01","90","","1421.3","0.2","200","16","200","16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Br N O5 -","- C34 H26 Br N O5 -","- C68 H52 Br2 N2 O10 -","2","1","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones <i>via</i> [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.1056","0.0474","","","0.0706","0.0886","","","","","","1.002","","","","has coordinates","281596","2023-03-04","18:44:57",""
"7159154","8.5674","0.0006","9.4995","0.0007","9.95","0.0007","85.1","0.006","81.305","0.006","68.735","0.007","745.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Prakash, Meher; Samanta, Sampak","Base-promoted cyclization of <i>ortho</i>-hydroxyacetophenones with <i>in situ</i> generated cyclopropenes: diastereoselective access to spirobenzo[<i>b</i>]oxepines and related precursors.","Organic & biomolecular chemistry","2023","21","9","2001","2014","10.1039/d3ob00077j","","x-ray","0.71073","MoKα","","0.0719","0.0575","","","0.1447","0.1533","","","","","","1.0415","","","","has coordinates","281598","2023-03-04","18:45:19",""
"7159155","11.8421","0.0003","14.4124","0.0005","20.4372","0.0007","90","","101.814","0.003","90","","3414.19","0.19","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Prakash, Meher; Samanta, Sampak","Base-promoted cyclization of <i>ortho</i>-hydroxyacetophenones with <i>in situ</i> generated cyclopropenes: diastereoselective access to spirobenzo[<i>b</i>]oxepines and related precursors.","Organic & biomolecular chemistry","2023","21","9","2001","2014","10.1039/d3ob00077j","","x-ray","1.54184","CuKα","","0.0876","0.069","","","0.1824","0.2176","","","","","","1.0358","","","","has coordinates","281598","2023-03-04","18:45:19",""
"7159156","9.1585","0.0003","10.7347","0.0004","11.6344","0.0005","93.7241","0.0017","98.7149","0.0018","99.1029","0.0017","1111.73","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1127","0.0654","","","0.1776","0.2109","","","","","","1.057","","","","has coordinates","281595","2023-03-04","18:44:48",""
"7159157","18.7888","0.0012","10.0222","0.0004","12.1293","0.0008","90","","90","","90","","2284","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.07","0.0541","","","0.1317","0.1438","","","","","","1.033","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159158","11.3549","0.0003","10.5712","0.0004","18.7259","0.0006","90","","93.0039","0.0014","90","","2244.67","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O2 -","- C28 H19 Br N2 O2 -","- C112 H76 Br4 N8 O8 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.0487","0.035","","","0.0812","0.0879","","","","","","1.026","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159159","8.783","0.004","12.932","0.005","20.255","0.009","90","","90","","90","","2300.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F N O2 -","- C30 H22 F N O2 -","- C120 H88 F4 N4 O8 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1638","0.0669","","","0.1538","0.1909","","","","","","0.824","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159160","7.0317","0.0004","18.8318","0.0012","8.3435","0.0006","90","","99.423","0.002","90","","1089.93","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1154","0.051","","","0.1175","0.1502","","","","","","0.968","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159161","12.6907","0.0007","16.3431","0.0009","13.3615","0.0009","90","","118.292","0.002","90","","2440.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O3 -","- C30 H24 N2 O3 -","- C120 H96 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.0805","0.0441","","","0.0994","0.121","","","","","","1.006","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159162","8.3089","0.0004","16.9378","0.001","22.9234","0.0013","90","","90","","90","","3226.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MZ-11","","","- C32 H43 N5 O4 Si -","- C32 H43 N5 O4 Si -","- C128 H172 N20 O16 Si4 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","","0.71073","MoKα","","0.1274","0.1001","","","0.1894","0.2021","","","","","","1.455","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159163","9.2221","0.0005","9.3018","0.0006","13.1569","0.0008","72.678","0.003","89.071","0.003","76.638","0.003","1046.59","0.11","150","2","150","2","","","","","","","","5","P 1","P 1","1","Borbasa 725","","","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","1","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0895","0.0622","","","0.159","0.1868","","","","","","1.042","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159164","7.2246","0.0003","14.0455","0.0007","24.2928","0.0011","90","","90","","90","","2465.1","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Borbasa ERJ750","","","- C27 H30 N8 O2 -","- C27 H30 N8 O2 -","- C108 H120 N32 O8 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0539","0.0455","","","0.1206","0.1299","","","","","","1.151","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159165","14.621","0.005","7.59","0.002","25.12","0.007","90","","99.705","0.01","90","","2747.8","1.4","294","2","294","2","","","","","","","","4","P 1 2 1","P 2y","3","ERJ-724","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","2","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.1448","0.0804","","","0.1737","0.2046","","","","","","1.088","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159166","8.3506","0.0002","11.0548","0.0003","35.8931","0.0009","90","","90","","90","","3313.44","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3R,5S)-3-(2-(4-chlorophenyl)-2-oxoethyl)-9-oxo-6,8-diphenyl-1-oxa-4,7,8-triazaspiro[4.4]non-6-ene-4-carboxylate","","- C30 H28 Cl N3 O5 -","- C30 H28 Cl N3 O5 -","- C120 H112 Cl4 N12 O20 -","4","1","","Gil-Ordóñez, Marta; Martín, Laura; Maestro, Alicia; Andrés, José M","Organocatalytic asymmetric synthesis of oxazolidino spiropyrazolinones <i>via N</i>,<i>O</i>-acetalization/aza Michael addition domino reaction between <i>N</i>-Boc pyrazolinone ketimines and γ-hydroxyenones.","Organic & biomolecular chemistry","2023","21","11","2361","2369","10.1039/d2ob02290g","","x-ray","1.54184","CuKα","","0.0599","0.0513","","","0.1406","0.156","","","","","","1.102","","","","has coordinates","283478","2023-05-05","03:24:28",""
"7159167","9.96","0.002","17.857","0.004","21.419","0.004","90","","90","","90","","3809.5","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 N3 O6 S -","- C41 H41 N3 O6 S -","- C164 H164 N12 O24 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.2341","0.0994","","","0.2476","0.2975","","","","","","0.857","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159168","10.491","0.002","11.952","0.002","29.973","0.006","90","","90","","90","","3758.3","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H43 N3 O5 S -","- C44 H43 N3 O5 S -","- C176 H172 N12 O20 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1096","0.0767","","","0.1918","0.2294","","","","","","1.097","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159169","7.8568","0.0016","10.363","0.002","30.033","0.006","90","","90","","90","","2445.3","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C116 H96 N8 O20 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1933","0.0761","","","0.1086","0.1365","","","","","","0.849","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159170","9.4049","0.0009","13.3896","0.0012","12.7634","0.0013","90","","91.507","0.004","90","","1606.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Halnor, Swapnil V.; Dhote, Pawan S.; Ramana, Chepuri V.","Construction of the quinobenzoxazine core <i>via</i> gold-catalyzed dual annulation of azide-tethered alkynones with anthranils.","Organic & biomolecular chemistry","2023","21","10","2127","2137","10.1039/d3ob00098b","","","0.71073","MoKα","","0.0464","0.043","","","0.1175","0.1209","","","","","","1.057","","","","has coordinates","283431","2023-05-05","03:09:56",""
"7159171","6.5182","0.0002","12.3029","0.0005","14.3881","0.0004","90","","90","","90","","1153.82","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-isopropyl-3-(p-tolyl)oxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","0.71073","MoKα","","0.0403","0.0366","","","0.085","0.0879","","","","","","1.048","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159172","6.2495","0.0002","12.573","0.0003","15.1106","0.0005","90","","90","","90","","1187.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(tert-butyl)-3-phenyloxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0468","0.0405","","","0.0944","0.0969","","","","","","1.082","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159173","5.5304","0.0001","8.5314","0.0002","10.1412","0.0002","90","","93.371","0.002","90","","477.655","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-(4-chlorophenyl)-4-methyloxazolidin-2-one","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C20 H20 Cl2 N2 O4 -","2","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0199","0.0197","","","0.0521","0.0523","","","","","","1.054","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159174","9.24","0.0001","15.0951","0.0002","16.2876","0.0002","68.441","0.001","87.775","0.001","85.825","0.001","2107.05","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Cl10 N3 O P Pd -","- C39 H32 Cl10 N3 O P Pd -","- C78 H64 Cl20 N6 O2 P2 Pd2 -","2","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.71073","MoKα","","0.0367","0.0296","","","0.0614","0.0643","","","","","","1.016","","","","has coordinates,has disorder","283472","2023-05-05","03:22:57",""
"7159175","10.923","0.002","11.87","0.002","15.665","0.003","96.22","0.03","101.71","0.03","113.13","0.03","1788.6","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H39 Cl N3 O3 P Pd -","- C42 H39 Cl N3 O3 P Pd -","- C84 H78 Cl2 N6 O6 P2 Pd2 -","2","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.745","synchrotron","","0.045","0.0337","","","0.0791","0.0849","","","","","","1.037","","","","has coordinates","283472","2023-05-05","03:22:57",""
"7159176","35.7466","0.0013","9.275","0.0003","26.6696","0.001","90","","127.87","0.001","90","","6980.2","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl N3 O P Pd -","- C37 H29 Cl N3 O P Pd -","- C296 H232 Cl8 N24 O8 P8 Pd8 -","8","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.71073","MoKα","","0.0387","0.0364","","","0.0878","0.0889","","","","","","1.193","","","","has coordinates,has disorder","283472","2023-05-05","03:22:57",""
"7159177","9.7863","0.0009","10.1591","0.0009","12.62","0.0008","83.082","0.006","68.299","0.007","63.337","0.009","1040.23","0.18","249.97","0.1","249.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C46 H40 N4 O6 S2 -","2","1","","Wang, Ting; Wan, Yuyan; Xu, Mingyao; Wang, Yi; Hong, Xu-Jia; Gao, Hui; Zhou, Zhi; Yi, Wei; Zeng, Zhongyi","Regio- and stereospecific <i>cis</i>-hydrophenoxylation of ynamides with acidic phenols.","Organic & biomolecular chemistry","2023","21","15","3073","3078","10.1039/d3ob00082f","","x-ray","0.71073","MoKα","","0.0574","0.0428","","","0.1023","0.1109","","","","","","1.029","","","","has coordinates","283465","2023-05-05","03:21:05",""
"7159178","6.3673","0.0013","16.941","0.003","19.629","0.004","90","","90","","90","","2117.3","0.7","145","2","145","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F N O2 -","- C25 H30 F N O2 -","- C100 H120 F4 N4 O8 -","4","1","","Manna, Utsab; Roy, Rajdip; Dutta, Abhishek; Roy, Nabanita","Phenylalanine conjugated supramolecular hydrogels developed from the mafenide and flurbiprofen multidrug for biological applications.","Organic & biomolecular chemistry","2023","21","11","2375","2389","10.1039/d2ob02300h","","","0.71073","MoKα","","0.2053","0.1653","","","0.3936","0.4309","","","","","","1.198","","","","has coordinates,has disorder","283479","2023-05-05","03:24:40",""
"7159179","5.588","0.009","8.349","0.013","17.87","0.03","77.93","0.04","87.12","0.04","85.92","0.04","813","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.1139","0.0587","","","0.1303","0.1632","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38",""
"7159180","23.313","0.013","7.937","0.004","21.274","0.012","90","","90","","90","","3936","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 Cl O4 S -","- C20 H19 Cl O4 S -","- C160 H152 Cl8 O32 S8 -","8","2","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.273","0.1163","","","0.179","0.2261","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38",""
"7159181","13.57868","0.00007","5.12531","0.00003","17.35284","0.00009","90","","97.9746","0.0005","90","","1195.99","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Jiang, Yaqin; Chen, Chunmei; Zhu, Hucheng; Li, Qin; Mao, Lina; Liao, Hong; Nan, Yiyang; Wang, Zhiping; Zhou, Hongjian; Zhou, Qun; Zhang, Yonghui","An indole diketopiperazine alkaloid and a bisabolane sesquiterpenoid with unprecedented skeletons from <i>Aspergillus fumigatus</i>.","Organic & biomolecular chemistry","2023","21","10","2236","2242","10.1039/d2ob02220f","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0713","0.0714","","","","","","1.048","","","","has coordinates","283430","2023-05-05","03:09:50",""
"7159182","12.28659","0.00003","13.35886","0.00003","16.12094","0.00004","90","","90","","90","","2646.01","0.011","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","x-ray","1.54184","CuKα","","0.0256","0.0251","","","0.0654","0.0659","","","","","","1.027","","","","has coordinates","283474","2023-05-05","03:23:19",""
"7159183","12.69","0.13","13.47","0.13","16.8","0.4","90","","90","","90","","2872","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","electron","0.0251","200keVelectrons","","0.1938","0.1349","","","0.3044","0.3289","","","","","","1.612","","","","has coordinates","283474","2023-05-05","03:23:28",""
"7159184","9.389","0.0004","11.3607","0.0004","12.5465","0.0005","95.015","0.003","110.78","0.004","99.316","0.003","1219.41","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O8 S -","- C27 H26 O8 S -","- C54 H52 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.1194","0.1269","","","","","","1.028","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159185","9.0321","0.0003","11.3249","0.0004","13.401","0.0003","104.302","0.002","90.43","0.002","112.768","0.003","1216.59","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O9 S -","- C27 H26 O9 S -","- C54 H52 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.051","0.0442","","","0.1211","0.1256","","","","","","1.054","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159186","7.8698","0.0002","8.091","0.0002","18.4031","0.0004","97.31","0.002","90.418","0.002","109.486","0.003","1094.16","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O8 S -","- C26 H22 O8 S -","- C52 H44 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0457","0.0401","","","0.1012","0.1042","","","","","","1.046","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159187","8.8838","0.0003","10.0122","0.0003","18.2465","0.0007","79.86","0.003","82.812","0.003","68.624","0.003","1484.42","0.09","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 O9 S -","- C29 H29 Cl3 O9 S -","- C58 H58 Cl6 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0505","0.0436","","","0.1204","0.1248","","","","","","1.071","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159188","8.8679","0.0002","19.3858","0.0005","15.9313","0.0003","90","","95.21","0.002","90","","2727.46","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O11 S -","- C29 H30 O11 S -","- C116 H120 O44 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.053","0.0449","","","0.1152","0.1194","","","","","","1.04","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159189","8.9241","0.0003","19.544","0.0006","14.8371","0.0004","90","","99.093","0.002","90","","2555.26","0.14","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 F O10 S -","- C28 H27 F O10 S -","- C112 H108 F4 O40 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0439","0.0385","","","0.1015","0.1043","","","","","","1.05","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159190","8.4568","0.0002","10.0048","0.0002","18.1713","0.0004","79.068","0.002","81.726","0.002","72.665","0.002","1434.7","0.06","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl3 F O9 S -","- C28 H26 Cl3 F O9 S -","- C56 H52 Cl6 F2 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0644","0.0592","","","0.1747","0.1797","","","","","","1.063","","","","has coordinates,has disorder","283476","2023-05-05","03:23:58",""
"7159191","8.4581","0.0002","12.4673","0.0003","13.9001","0.0003","114.802","0.002","99.369","0.002","91.662","0.002","1305.05","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O8 S -","- C27 H26 O8 S -","- C54 H52 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.049","0.0418","","","0.1173","0.122","","","","","","1.092","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159192","21.9528","0.0008","12.0021","0.0005","12.5898","0.0005","90","","91.55","0.004","90","","3315.9","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 O11 S -","- C34 H40 O11 S -","- C136 H160 O44 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.1074","0.0924","","","0.2411","0.2489","","","","","","1.091","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159193","12.3628","0.0008","8.7568","0.0005","17.477","0.0012","90","","109.33","0.007","90","","1785.4","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C88 H68 Cl4 N8 O8 -","4","1","","Mai, Jiexiong; Huang, Ziwei; Lv, Shaohuan; Chen, Quan; Chen, Rongrong; Xie, Feng; Wang, Jun; Li, Bin","Visible light-induced cascade <i>N</i>-alkylation/amidation reaction of quinazolin-4(3<i>H</i>)-ones and related N-heterocycles.","Organic & biomolecular chemistry","2023","21","11","2423","2428","10.1039/d2ob02226e","","x-ray","0.71073","MoKα","","0.0474","0.0387","","","0.0875","0.093","","","","","","1.101","","","","has coordinates","283477","2023-05-05","03:24:13",""
"7159194","7.6268","0.0005","9.3115","0.0007","24.2573","0.0018","90","","90","","90","","1722.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br O3 S -","- C19 H13 Br O3 S -","- C76 H52 Br4 O12 S4 -","4","1","","Tamanna, ?; Sharma, Deepak; Chauhan, Pankaj","Asymmetric synthesis of spirocyclic isobenzofuranones <i>via</i> a squaramide-catalysed sulfa-Michael desymmetrisation reaction.","Organic & biomolecular chemistry","2023","21","12","2570","2574","10.1039/d3ob00126a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0632","0.0641","","","","","","1.076","","","","has coordinates","283489","2023-05-05","03:28:46",""
"7159195","13.934","0.004","7.1249","0.0019","23.124","0.006","90","","102.776","0.008","90","","2238.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O5 -","- C27 H19 N3 O5 -","- C108 H76 N12 O20 -","4","1","","Ramkumar, Alagumalai; Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Gandhi, Thirumanavelan","Ruthenium(II)-catalyzed oxidative dehydrogenation and hydroarylation of maleimides with phthalazinones - insights into additive-controlled product selectivity.","Organic & biomolecular chemistry","2023","21","13","2695","2699","10.1039/d3ob00297g","","","0.71073","MoKα","","0.0549","0.0459","","","0.1107","0.1178","","","","","","0.943","","","","has coordinates","283447","2023-05-05","03:15:07",""
"7159196","10.4045","0.0009","8.869","0.0008","21.6415","0.0017","90","","102.176","0.002","90","","1952.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","1","","Ramkumar, Alagumalai; Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Gandhi, Thirumanavelan","Ruthenium(II)-catalyzed oxidative dehydrogenation and hydroarylation of maleimides with phthalazinones - insights into additive-controlled product selectivity.","Organic & biomolecular chemistry","2023","21","13","2695","2699","10.1039/d3ob00297g","","","0.71073","MoKα","","0.1012","0.0501","","","0.1004","0.1224","","","","","","1.047","","","","has coordinates","283447","2023-05-05","03:15:09",""
"7159197","10.797","0.0005","11.7144","0.0005","17.2757","0.0007","109.155","0.004","106.362","0.004","90.359","0.004","1968.69","0.16","298.01","0.01","298.01","0.01","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 F N2 O -","- C45 H42 F N2 O -","- C90 H84 F2 N4 O2 -","2","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.1393","0.0804","","","0.227","0.2817","","","","","","1.042","","","","has coordinates","283486","2023-05-05","03:28:05",""
"7159198","9.2987","0.0004","12.1896","0.0005","17.6436","0.0008","109.223","0.004","90.262","0.004","104.83","0.004","1816.78","0.15","298","0.1","298","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43 Cl2 N O S -","- C41 H40 N O S -","- C82 H80 N2 O2 S2 -","2","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.0754","0.0575","","","0.1586","0.1808","","","","","","1.064","","","","has coordinates","283486","2023-05-05","03:28:06",""
"7159199","10.9175","0.0003","10.7799","0.0003","29.2158","0.001","90","","91.629","0.003","90","","3437","0.18","298.01","0.01","298.01","0.01","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N O2 S -","- C41 H40 N O2 S -","- C164 H160 N4 O8 S4 -","4","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.1093","0.0656","","","0.18","0.2239","","","","","","1.026","","","","has coordinates","283486","2023-05-05","03:28:06",""
"7159200","6.3864","0.001","10.5866","0.0017","19.684","0.003","90","","90","","90","","1330.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C48 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","1.54178","CuKα","","0.0572","0.0416","","","0.0791","0.0868","","","","","","1.062","","","","has coordinates","283485","2023-05-05","03:26:17",""
"7159201","11.178","0.007","21.505","0.013","6.138","0.004","90","","90","","90","","1475.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","","- C13 H25 N O3 -","- C13 H25 N O3 -","- C52 H100 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1257","0.0942","","","0.2125","0.2317","","","","","","1.021","","","","has coordinates","283485","2023-05-05","03:26:27",""
"7159202","9.447","0.004","7.16","0.003","36.118","0.016","90","","90","","90","","2443","1.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0956","0.0652","","","0.1504","0.1664","","","","","","1.041","","","","has coordinates","283485","2023-05-05","03:26:38",""
"7159203","9.165","0.002","10.586","0.003","13.936","0.003","90.989","0.008","108.378","0.007","91.637","0.008","1282.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(tert-butyl (E)-(5-hydroxy-2-methylpent-3-en-2-yl)carbamate)","(tert-butyl (E)-(5-hydroxy-2-methylpent-3-en-2-yl)carbamate)","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C44 H84 N4 O12 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1417","0.0941","","","0.1383","0.1561","","","","","","1.152","","","","has coordinates","283485","2023-05-05","03:26:51",""
"7159204","10.171","0.004","11.307","0.004","18.203","0.006","83.781","0.008","78.945","0.008","69.533","0.008","1922.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ethyl (S,2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-9-methyldeca-2,4,6-trienoate)","(ethyl (S,2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-9-methyldeca-2,4,6-trienoate)","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.2085","0.0681","","","0.1411","0.202","","","","","","0.919","","","","has coordinates","283485","2023-05-05","03:26:58",""
"7159205","35.93","0.05","5.117","0.008","10.707","0.016","90","","92.39","0.03","90","","1967","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0863","0.0522","","","0.1352","0.1641","","","","","","0.679","","","","has coordinates","283485","2023-05-05","03:27:01",""
"7159206","6.061","0.002","12.023","0.004","21.699","0.007","90","","90","","90","","1581.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1372","0.0865","","","0.0657","0.0679","","","","","","1.94","","","","has coordinates","283485","2023-05-05","03:27:01",""
"7159207","6.5455","0.0012","9.445","0.002","19.264","0.004","90","","90","","90","","1190.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0412","0.0352","","","0.0781","0.0807","","","","","","0.995","","","","has coordinates","283485","2023-05-05","03:27:03",""
"7159208","9.88","0.003","20.895","0.007","18.293","0.006","90","","105.188","0.01","90","","3645","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ethyl (2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-8-methylnona-2,4,6-trienoate)","(ethyl (2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-8-methylnona-2,4,6-trienoate)","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.14","0.0619","","","0.1811","0.2553","","","","","","0.726","","","","has coordinates","283485","2023-05-05","03:27:06",""
"7159209","9.1906","0.0018","18.987","0.004","9.7142","0.0016","90","","100.338","0.006","90","","1667.6","0.6","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1649","0.0866","","","0.1342","0.1628","","","","","","1.019","","","","has coordinates","283485","2023-05-05","03:27:09",""
"7159210","4.2745","0.0002","16.1974","0.0007","23.4885","0.0011","106.784","0.002","92.454","0.002","95.446","0.002","1545.73","0.12","130","","130","","","","","","","","","6","P -1","-P 1","2","","Copper di-[5-(2-methoxyethoxy)methyl)pyridine-2-thiolate-N-oxide]","","- C18 H24 Cu N2 O6 S2 -","- C18 H24 Cu N2 O6 S2 -","- C54 H72 Cu3 N6 O18 S6 -","3","1.5","","Mishra, Atreyee; Djoko, Karrera Y.; Lee, Yi-Hsuan; Lord, Rianne M.; Kaul, Grace; Akhir, Abdul; Saxena, Deepanshi; Chopra, Sidharth; Walton, James W.","Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity.","Organic & biomolecular chemistry","2023","21","12","2539","2544","10.1039/d2ob01224c","","x-ray","0.71073","MoKα","","0.0557","0.0399","","","0.0694","0.074","","","","","","1.04","","","","has coordinates","283482","2023-05-05","03:25:34",""
"7159211","7.0036","0.0014","9.714","0.002","16.46","0.003","80.825","0.009","87.6","0.011","76.487","0.014","1074.9","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","glucominiotone A","","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","2","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0645","0.0586","","","0.1723","0.1817","","","","","","1.024","","","","has coordinates","283481","2023-05-05","03:25:08",""
"7159212","6.671","0.0002","16.5087","0.0005","18.4122","0.0005","90","","90","","90","","2027.73","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glucominiotone B","","","- C19 H22 O9 -","- C19 H22 O9 -","- C76 H88 O36 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0584","0.0557","","","0.1428","0.1449","","","","","","1.073","","","","has coordinates","283481","2023-05-05","03:25:18",""
"7159213","10.147","0.0003","12.3817","0.0003","18.7861","0.0005","90","","90","","90","","2360.23","0.11","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","miniluteumide E","1","","- C22 H35 N O8 -","- C22 H35 N O8 -","- C88 H140 N4 O32 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","x-ray","1.54184","CuKα","","0.0497","0.0417","","","0.1004","0.1086","","","","","","1.069","","","","has coordinates","283481","2023-05-05","03:25:19",""
"7159214","11.3845","0.0001","16.8992","0.0001","8.1309","0.0001","90","","92.673","0.001","90","","1562.59","0.03","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C21 H12 F N S -","- C21 H12 F N S -","- C84 H48 F4 N4 S4 -","4","1","","Gao, Yong; Hua, Ruirui; Yin, Hongquan; Chen, Fu-Xue","Synthesis of thiocyanato-containing phenanthrenes and dihydronaphthalenes <i>via</i> Lewis acid-activated tandem electrophilic thiocyanation/carbocyclization of alkynes.","Organic & biomolecular chemistry","2023","21","11","2417","2422","10.1039/d3ob00001j","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.093","0.0945","","","","","","1.052","","","","has coordinates","283475","2023-05-05","03:23:41",""
"7159215","6.36191","0.00004","11.81085","0.00007","18.04153","0.00008","93.4492","0.0004","95.0225","0.0004","103.052","0.0005","1311.07","0.013","100","0.11","100","0.11","","","","","","","","4","P 1","P 1","1","","","","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","1","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0488","0.0476","","","0.1095","0.1105","","","","","","1.029","","","","has coordinates,has disorder","283466","2023-05-05","03:21:25",""
"7159216","29.0654","0.0011","6.1584","0.0001","13.8163","0.0005","90","","129.016","0.006","90","","1921.5","0.19","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0408","0.038","","","0.0973","0.0993","","","","","","1.02","","","","has coordinates","283466","2023-05-05","03:21:27",""
"7159217","6.3839","0.0001","11.7026","0.0002","17.9956","0.0002","92.243","0.001","92.111","0.001","102.967","0.002","1307.69","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O3 Si -","- C27 H44 O3 Si -","- C54 H88 O6 Si2 -","2","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0623","0.0601","","","0.1445","0.1457","","","","","","1.079","","","","has coordinates","283466","2023-05-05","03:21:37",""
"7159218","7.5237","0.0001","22.9939","0.0002","9.7103","0.0001","90","","90.13","0.001","90","","1679.87","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0433","0.0422","","","0.1129","0.1143","","","","","","1.095","","","","has coordinates","283466","2023-05-05","03:21:37",""
"7159219","11.578","0.006","10.373","0.005","13.434","0.006","90","","92.346","0.009","90","","1612.1","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1652","0.0807","","","0.1832","0.2296","","","","","","0.972","","","","has coordinates","283487","2023-05-05","03:28:20",""
"7159220","11.2145","0.0017","22.855","0.004","9.3203","0.0014","90","","105.549","0.003","90","","2301.4","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O S -","- C27 H26 N2 O S -","- C108 H104 N8 O4 S4 -","4","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1013","0.0552","","","0.1101","0.1301","","","","","","1.043","","","","has coordinates","283487","2023-05-05","03:28:20",""
"7159221","32.974","0.007","9.249","0.0018","15.64","0.003","90","","91.554","0.004","90","","4768.1","1.6","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C184 H192 N16 O16 -","8","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1619","0.0876","","","0.2455","0.2864","","","","","","1.03","","","","has coordinates","283487","2023-05-05","03:28:20",""
"7159222","19.5971","0.0013","7.6234","0.0005","19.6148","0.0013","90","","100.404","0.002","90","","2882.2","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","2","","Banda, Saikumar; Villinger, Alexander; Brasholz, Malte","Synthesis of azepane-fused pyrano[3,2-<i>b</i>]indoles by Lewis acid-catalysed oxa Diels-Alder reactions.","Organic & biomolecular chemistry","2023","21","21","4379","4381","10.1039/d3ob00234a","","","0.71073","MoKα","","0.072","0.0594","","","0.1469","0.1543","","","","","","1.065","","","","has coordinates","284335","2023-06-05","04:57:50",""
"7159223","11.38512","0.00006","9.48447","0.00004","15.80604","0.00008","90","","110.665","0.0006","90","","1596.95","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0276","0.0275","","","0.073","0.0731","","","","","","1.04","","","","has coordinates","283448","2023-05-05","03:15:28",""
"7159224","7.48251","0.00007","8.97191","0.00013","13.67021","0.00019","107.801","0.0013","96.7797","0.0009","98.0759","0.001","852.4","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0389","0.0377","","","0.1038","0.1049","","","","","","1.034","","","","has coordinates","283448","2023-05-05","03:15:38",""
"7159225","8.16824","0.00005","16.10854","0.00012","13.62304","0.00008","90","","91.7049","0.0006","90","","1791.7","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0368","0.0359","","","0.0922","0.0929","","","","","","1.048","","","","has coordinates","283448","2023-05-05","03:15:41",""
"7159226","11.68226","0.00012","9.54123","0.00006","15.99352","0.00016","90","","110.869","0.0011","90","","1665.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0548","0.0548","","","0.1411","0.1412","","","","","","1.067","","","","has coordinates","283448","2023-05-05","03:15:50",""
"7159227","22.38682","0.00016","12.13681","0.00009","13.54889","0.00007","90","","93.0248","0.0006","90","","3676.17","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H25 N2 O3.5 -","- C21.5 H25 N2 O3.5 -","- C172 H200 N16 O28 -","8","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0749","0.0718","","","0.2347","0.238","","","","","","1.187","","","","has coordinates","283448","2023-05-05","03:16:00",""
"7159228","8.48626","0.00008","24.4487","0.0002","12.18602","0.00009","90","","102.129","0.0008","90","","2471.89","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O3 -","- C28 H34 N4 O3 -","- C112 H136 N16 O12 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0416","0.0399","","","0.1035","0.1048","","","","","","1.076","","","","has coordinates","283448","2023-05-05","03:16:13",""
"7159229","18.1847","0.0002","9.88774","0.00011","27.3603","0.0004","90","","106.553","0.0013","90","","4715.65","0.11","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C200 H192 N32 O16 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0577","0.0563","","","0.1405","0.1413","","","","","","1.092","","","","has coordinates","283448","2023-05-05","03:16:24",""
"7159230","28.2772","0.001","11.1135","0.0009","7.9823","0.0003","90","","90.234","0.004","90","","2508.5","0.2","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 N4 O5 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Fares, Mohamed; Wu, Xin; McNaughton, Daniel A.; Gilchrist, Alexander M.; Lewis, William; Keller, Paul A.; Arias-Betancur, Alain; Fontova, Pere; Pérez-Tomás, Ricardo; Gale, Philip A.","A potent fluorescent transmembrane HCl transporter perturbs cellular pH and promotes cancer cell death.","Organic & biomolecular chemistry","2023","21","12","2509","2515","10.1039/d3ob00128h","","x-ray","1.54184","CuKα","K-L~2,3~","0.1531","0.0661","","","0.1579","0.2088","","","","","","0.931","","","","has coordinates,has disorder","283488","2023-05-05","03:28:28",""
"7159231","19.32005","0.00012","5.34244","0.00002","11.81711","0.00004","90","","98.3058","0.0004","90","","1206.92","0.01","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H26 N10 O14 -","- C18 H26 N10 O14 -","- C36 H52 N20 O28 -","2","0.5","","Takemura, Hirohide; Choi, Jae-Hoon; Fushimi, Keiji; Narikawa, Rei; Wu, Jing; Kondo, Mitsuru; Nelson, David C.; Suzuki, Tomohiro; Ouchi, Hitoshi; Inai, Makoto; Hirai, Hirofumi; Kawagishi, Hirokazu","Role of hypoxanthine-guanine phosphoribosyltransferase in the metabolism of fairy chemicals in rice.","Organic & biomolecular chemistry","2023","21","12","2556","2561","10.1039/d3ob00026e","","x-ray","1.54184","CuKα","","0.0288","0.0288","","","0.0784","0.0784","","","","","","1.064","","","","has coordinates","283484","2023-05-05","03:25:57",""
"7159232","6.6858","0.0004","26.274","0.0017","11.3518","0.0007","90","","102.219","0.003","90","","1948.9","0.2","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C58 H104 N8 O12 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1138","0.0505","","","0.1282","0.1644","","","","","","0.9893","","","","has coordinates","283438","2023-05-05","03:11:34",""
"7159233","13.65","0.013","9.887","0.01","15.827","0.016","90","","112.53","0.03","90","","1973","3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H52 N6 O7 -","- C39 H52 N6 O7 -","- C78 H104 N12 O14 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1539","0.0736","","","0.1508","0.1957","","","","","","1.0396","","","","has coordinates","283438","2023-05-05","03:11:34",""
"7159234","29.297","0.006","8.32","0.0017","18.92","0.004","90","","115.25","0.03","90","","4171.1","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O8 -","- C24 H18 N2 O8 -","- C192 H144 N16 O64 -","8","1","","Shahedi, Mansour; Omidi, Niloofar; Habibi, Zohreh; Yousefi, Maryam; Brask, Jesper; Notash, Behrouz; Mohammadi, Mehdi","Biocatalytic stereoselective synthesis of pyrrolidine-2,3-diones containing all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","13","2742","2747","10.1039/d2ob02294j","","","0.71073","MoKα","","0.1129","0.0647","","","0.1332","0.1501","","","","","","1.025","","","","has coordinates","283449","2023-05-05","03:16:36",""
"7159235","19.6578","0.001","7.7477","0.0003","20.2282","0.0009","90","","108.834","0.006","90","","2915.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N5 O -","- C16 H11 N5 O -","- C128 H88 N40 O8 -","8","1","","Neethu, K. M.; Nag, Kritika; Dar, Arif Hassan; Bajaj, Ashima; Gopal, S. Arya; Gowri, Vijayendran; Nagpure, Mithilesh; Sartaliya, Shaifali; Sharma, Raina; Solanki, Arun Kumar; Ehesan Ali, Md; Muthukrishnan, Azhagumuthu; Jayamurugan, Govindasamy","A study of [2 + 2] cycloaddition-retroelectrocyclization in water: observation of substrate-driven transient-nanoreactor-induced new reactivity.","Organic & biomolecular chemistry","2023","21","14","2922","2929","10.1039/d3ob00053b","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1208","0.1321","","","","","","1.056","","","","has coordinates","283459","2023-05-05","03:19:14",""
"7159236","11.586","0.001","9.123","0.001","15.33","0.001","90","","91.12","0.01","90","","1620.1","0.2","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl2 N4 -","- C18 H14 Cl2 N4 -","- C72 H56 Cl8 N16 -","4","0.5","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles <i>via</i> a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0418","0.0371","","","0.1282","0.137","","","","","","0.989","","","","has coordinates","283453","2023-05-05","03:17:54",""
"7159237","17.887","0.003","10.805","0.001","15.51","0.001","90","","113.27","0.01","90","","2753.8","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 -","- C17 H14 N4 -","- C136 H112 N32 -","8","2","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles <i>via</i> a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0975","0.0529","","","0.1423","0.1811","","","","","","1.005","","","","has coordinates","283453","2023-05-05","03:17:57",""
"7159238","12.637","0.001","14.143","0.001","9.403","0.001","90","","122.24","0.01","90","","1421.4","0.3","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","0.5","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles <i>via</i> a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0628","0.0428","","","0.1237","0.1441","","","","","","0.965","","","","has coordinates","283453","2023-05-05","03:18:09",""
"7159239","9.9448","0.0006","10.8509","0.0006","12.3306","0.0007","92.569","0.002","104.348","0.002","96.07","0.002","1278.38","0.13","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 Cl O4 -","- C29 H29 Cl O4 -","- C58 H58 Cl2 O8 -","2","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0707","0.0533","","","0.1215","0.1355","","","","","","1.027","","","","has coordinates","283483","2023-05-05","03:25:44",""
"7159240","9.895","0.002","10.862","0.002","12.428","0.003","92.652","0.006","104.732","0.006","95.795","0.006","1281.6","0.5","299","2","299","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C60 H64 O8 -","2","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0953","0.0686","","","0.1388","0.1579","","","","","","1.103","","","","has coordinates","283483","2023-05-05","03:25:44",""
"7159241","11.4676","0.0018","23.735","0.004","24.998","0.003","90","","92.236","0.003","90","","6798.9","1.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl O5 S -","- C284 H292 Cl8 O44 S8 -","- C284 H292 Cl8 O44 S8 -","1","0.25","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0813","0.0546","","","0.1433","0.164","","","","","","1.016","","","","has coordinates","283483","2023-05-05","03:25:44",""
"7159242","9.2573","0.0002","17.7086","0.0004","17.8309","0.0004","90","","90","","90","","2923.09","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N O2 P -","- C34 H34 N O2 P -","- C136 H136 N4 O8 P4 -","4","1","","Mino, Takashi; Takaya, Kaho; Koki, Kaito; Akimoto, Natsume; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Axially chiral <i>N</i>-alkyl-<i>N</i>-cinnamoyl amide type P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2023","21","13","2775","2778","10.1039/d3ob00224a","","","1.54178","CuKα","","0.0432","0.0418","","","0.1079","0.1117","","","","","","0.822","","","","has coordinates","283452","2023-05-05","03:17:37",""
"7159243","7.0037","0.0005","8.0678","0.0004","16.6349","0.001","96.374","0.005","91.813","0.006","107.232","0.006","890.14","0.1","100","0.17","100","0.17","","","","","","","","5","P -1","-P 1","2","","ethyl 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate","","- C20 H17 F N2 O4 -","- C20 H17 F N2 O4 -","- C40 H34 F2 N4 O8 -","2","1","","Galenko, Ekaterina E.; Zanakhov, Timur O.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Metal carbonyl mediated rearrangement of 5-(2-oxoalkyl)-1,2,4-oxadiazoles: synthesis of fully substituted pyrimidines.","Organic & biomolecular chemistry","2023","21","14","2990","3001","10.1039/d3ob00148b","","x-ray","1.54184","CuKα","","0.0628","0.0525","","","0.1404","0.1527","","","","","","1.053","","","","has coordinates,has disorder","283458","2023-05-05","03:19:07",""
"7159244","16.0365","0.0003","7.7481","0.0001","20.9647","0.0004","90","","107.459","0.002","90","","2484.91","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-phenyl-4-(phenyl(pyridin-2-yl)amino)-6-(p-tolyl)pyrimidine-5-carboxylate","","- C31 H26 N4 O2 -","- C31 H26 N4 O2 -","- C124 H104 N16 O8 -","4","1","","Galenko, Ekaterina E.; Zanakhov, Timur O.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Metal carbonyl mediated rearrangement of 5-(2-oxoalkyl)-1,2,4-oxadiazoles: synthesis of fully substituted pyrimidines.","Organic & biomolecular chemistry","2023","21","14","2990","3001","10.1039/d3ob00148b","","x-ray","1.54184","CuKα","","0.0568","0.0485","","","0.1155","0.12","","","","","","1.041","","","","has coordinates","283458","2023-05-05","03:19:07",""
"7159245","7.6114","0.0004","15.1521","0.0007","21.9238","0.0011","90","","90","","90","","2528.4","0.2","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","1","","Beghennou, Anissa; Gontard, Geoffrey; Dossmann, Héloïse; Passador, Kévin; Thorimbert, Serge; Corcé, Vincent; Botuha, Candice","1,6-Naphthyridin-7(6<i>H</i>)-ones: synthesis and optical properties.","Organic & biomolecular chemistry","2023","21","14","2976","2982","10.1039/d3ob00081h","","","1.54178","CuKα","","0.0353","0.0311","","","0.085","0.0881","","","","","","1.049","","","","has coordinates","283454","2023-05-05","03:18:17",""
"7159246","9.711","0.0001","8.912","0.0001","20.7791","0.0002","90","","99.215","0.001","90","","1775.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2,5-dioxo-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Ganusenko, Daniil D.; Kurenkov, Igor A.; Leontiev, Alexander V.; Aksenov, Alexander V.","Synthesis of 2-carboxyaniline-substituted maleimides from 2'-nitrochalcones.","Organic & biomolecular chemistry","2023","21","15","3156","3166","10.1039/d3ob00197k","","x-ray","1.54184","synchrotron","","0.0403","0.0393","","","0.1051","0.1059","","","","","","1.039","","","","has coordinates","283462","2023-05-05","03:19:57",""
"7159247","9.8033","0.0006","19.8092","0.0009","9.7119","0.0007","90","","114.003","0.008","90","","1722.9","0.2","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O4 S -","- C18 H26 O4 S -","- C72 H104 O16 S4 -","4","1","","Lu, Wen-Hua; Yang, Dan; Wang, Guo-Qin; Wang, Ting; Zhou, Yuan-Xia; Jing, Lin-Hai","Photocatalytic synthesis of alkyl-alkyl sulfones <i>via</i> direct C(sp<sup>3</sup>)-H bond functionalization.","Organic & biomolecular chemistry","2023","21","13","2822","2827","10.1039/d3ob00276d","","x-ray","0.71073","MoKα","","0.0633","0.0461","","","0.1097","0.1239","","","","","","1.047","","","","has coordinates","283446","2023-05-05","03:14:53",""
"7159248","4.7826","0.0009","16.631","0.003","19.594","0.002","90","","90.09","0.01","90","","1558.5","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N4 O -","- C16 H14 Cl2 N4 O -","- C64 H56 Cl8 N16 O4 -","4","1","","Lu, Changtong; Histand, Gary; Lin, Dongen","Visible light-induced direct alkylation of the purine C<sub>8</sub>-H bond with ethers.","Organic & biomolecular chemistry","2023","21","15","3167","3171","10.1039/d3ob00147d","","x-ray","1.54184","CuKα","","0.0853","0.0796","","","0.2037","0.2175","","","","","","1.029","","","","has coordinates,has disorder","283467","2023-05-05","03:21:44",""
"7159249","27.34","0.004","5.3646","0.0006","10.6018","0.0013","90","","94.192","0.012","90","","1550.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Zhang, Zhang; Wang, Ying-Chun; Tang, Hai-Tao; Pan, Ying-Ming; Meng, Xiu-Jin","Electrocatalytic ring-opening dihydroalkoxylation of <i>N</i>-aryl maleimides with alcohols under metal- and oxidant-free conditions.","Organic & biomolecular chemistry","2023","21","15","3177","3182","10.1039/d3ob00178d","","x-ray","1.54184","CuKα","","0.1369","0.1125","","","0.2955","0.3212","","","","","","1.217","","","","has coordinates","283463","2023-05-05","03:20:18",""
"7159250","10.24","0.007","8.487","0.005","13.274","0.009","90","","107.29","0.04","90","","1101.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cu2 N4 O10 -","- C14 H28 Cu2 N4 O10 -","- C28 H56 Cu4 N8 O20 -","2","0.5","","Saikia, Rakhee; Das, Sanghamitra; Almin, Arzu; Mahanta, Abhijit; Sarma, Bipul; Thakur, Ashim J.; Bora, Utpal","<i>N</i>,<i>N</i>'-Dimethylurea as an efficient ligand for the synthesis of pharma-relevant motifs through Chan-Lam cross-coupling strategy.","Organic & biomolecular chemistry","2023","21","15","3143","3155","10.1039/d3ob00176h","","","0.71073","MoKα","","0.0814","0.0453","","","0.0811","0.0878","","","","","","0.852","","","","has coordinates","283464","2023-05-05","03:20:33",""
"7159251","15.9417","0.0014","7.4061","0.0008","12.3726","0.0014","90","","107.42","0.011","90","","1393.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O Se -","- C16 H15 N O Se -","- C64 H60 N4 O4 Se4 -","4","1","","Li, Bin; Hu, Mingli; Ge, Jun; Xu, Wei; Wu, Jinghan; Tong, Yao; Zhao, Zhengyi; Liu, Xiuxiu; He, Ling","Regioselective C-H chalcogenylation and halogenation of arenes and alkenes under metal-free conditions.","Organic & biomolecular chemistry","2023","21","14","2910","2916","10.1039/d3ob00150d","","x-ray","0.71073","MoKα","","0.0937","0.0472","","","0.0877","0.1057","","","","","","1.013","","","","has coordinates","283455","2023-05-05","03:18:24",""
"7159252","7.588","0.004","13.617","0.008","14.984","0.009","67.863","0.017","80.098","0.017","77.161","0.016","1391.6","1.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O2 -","- C15 H15 Br N2 O2 -","- C60 H60 Br4 N8 O8 -","4","2","","Roy, Naveen J.; Pujari, Parappa L.; Talukdar, Pinaki","Bimodal structural tuning of pyrrole-2-carboxamide-based transmembrane ion transport systems.","Organic & biomolecular chemistry","2023","21","16","3323","3329","10.1039/d3ob00269a","","","0.71073","MoKα","","0.1174","0.0509","","","0.1003","0.1196","","","","","","0.963","","","","has coordinates","283441","2023-05-05","03:13:37",""
"7159253","7.5114","0.0014","23.535","0.004","18.064","0.003","90","","90.01","0.01","90","","3193.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Br Cl N3 O2 -","- C31 H51 Br Cl N3 O2 -","- C124 H204 Br4 Cl4 N12 O8 -","4","1","","Roy, Naveen J.; Pujari, Parappa L.; Talukdar, Pinaki","Bimodal structural tuning of pyrrole-2-carboxamide-based transmembrane ion transport systems.","Organic & biomolecular chemistry","2023","21","16","3323","3329","10.1039/d3ob00269a","","","0.71073","MoKα","","0.1339","0.0842","","","0.1778","0.2097","","","","","","1.082","","","","has coordinates,has disorder","283441","2023-05-05","03:13:47",""
"7159254","18.0917","0.0006","12.0597","0.0005","35.4251","0.001","90","","91.256","0.003","90","","7727.2","0.5","123","1","123","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37.5 H33 Cl7 N2 O6 -","- C37.5 H27 Cl7 N2 O6 -","- C300 H216 Cl56 N16 O48 -","8","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","x-ray","0.71073","MoKα","","0.0841","0.0485","","","0.0971","0.1121","","","","","","1.017","","","","has coordinates,has disorder","283470","2023-05-05","03:22:07",""
"7159255","9.6404","0.0008","10.1481","0.0009","17.4357","0.0015","96.554","0.001","96.045","0.001","105.312","0.001","1618","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 Cl2 F2 N2 O6 -","- C34 H28 F2 N2 O6 -","- C68 H56 F4 N4 O12 -","2","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","","0.71073","MoKα","","0.1289","0.0851","","","0.2397","0.2648","","","","","","1.023","","","","has coordinates","283470","2023-05-05","03:22:17",""
"7159256","9.4722","0.0013","10.4254","0.0015","18.483","0.003","99.183","0.002","93.99","0.002","108.186","0.002","1697.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 Cl3 F4 N2 O6 -","- C35 H26 Cl2.998 F4 N2 O6 -","- C70 H52 Cl5.996 F8 N4 O12 -","2","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","","0.71073","MoKα","","0.0825","0.0453","","","0.1005","0.116","","","","","","1.011","","","","has coordinates,has disorder","283470","2023-05-05","03:22:19",""
"7159257","5.37551","0.00009","7.85484","0.00012","56.3649","0.0009","90","","90","","90","","2379.94","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H62 O10 P2 -","- C50 H62 O10 P2 -","- C100 H124 O20 P4 -","2","0.5","","Huang, Zhuo; Liu, Xu-Teng; Cui, Ranran; Zhang, Qing-Wei","Nickel-catalysed enantioselective reaction of secondary phosphine oxides and activated vinylcyclopropanes.","Organic & biomolecular chemistry","2023","21","15","3096","3100","10.1039/d3ob00389b","","x-ray","1.54184","CuKα","","0.0988","0.0953","","","0.2373","0.2409","","","","","","1.094","","","","has coordinates","283469","2023-05-05","03:21:55",""
"7159258","16.8319","0.0012","15.3118","0.0013","6.5989","0.0006","90","","90","","90","","1700.7","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 F3 N S -","- C19 H18 F3 N S -","- C76 H72 F12 N4 S4 -","4","1","","Zhang, Xinyu; Zhang, Jinli; Chen, Jie; Zhou, Banghua; Zhang, Jian; Chen, Shunhong; Wu, Jian; Jiang, Yaojia","Modular synthesis of fluorinated 2<i>H</i>-thiophenes <i>via</i> [4 + 1] cyclization of enaminothiones.","Organic & biomolecular chemistry","2023","21","16","3345","3349","10.1039/d3ob00222e","","","0.71073","","","0.0982","0.0741","","","0.1558","0.1722","","","","","","1.174","","","","has coordinates","283444","2023-05-05","03:14:32",""
"7159259","13.785","0.005","8.252","0.003","12.807","0.005","90","","96.271","0.007","90","","1448.1","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C84 H56 O8 -","4","1","","Geng, Meiqi; Kuang, Jinqiang; Miao, Maozhong; Ma, Yongmin","Cu(II)-catalyzed domino construction of spironaphthalenones by dearomatization of β-naphthols and using <i>N</i>,<i>N</i>-dimethylaminoethanol as a C1 synthon.","Organic & biomolecular chemistry","2023","21","15","3101","3104","10.1039/d3ob00296a","","","0.71073","MoKα","","0.1519","0.0549","","","0.112","0.1493","","","","","","0.947","","","","has coordinates","283468","2023-05-05","03:21:49",""
"7159260","12.0118","0.0001","12.1812","0.0001","13.6128","0.0001","90","","90","","90","","1991.8","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0701","0.0716","","","","","","1.074","","","","has coordinates","283439","2023-05-05","03:12:05",""
"7159261","8.4743","0.0001","10.547","0.0001","12.4447","0.0001","90","","98.883","0.001","90","","1098.95","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.066","0.0662","","","","","","1.059","","","","has coordinates","283439","2023-05-05","03:12:17",""
"7159262","22.6368","0.0005","7.9095","0.0001","15.4739","0.0003","90","","98.224","0.002","90","","2742.05","0.09","100.02","0.13","100.02","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 B F4 N2 -","- C34 H31 B0.9999 F3.9996 N2 -","- C136 H124 B3.9996 F15.9984 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.11","0.1039","","","0.3147","0.3205","","","","","","1.093","","","","has coordinates,has disorder","283439","2023-05-05","03:12:21",""
"7159263","10.9012","0.0001","11.666","0.0001","23.8047","0.0002","90","","95.836","0.001","90","","3011.63","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C152 H152 N24 -","8","2","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0612","0.0603","","","0.1299","0.1305","","","","","","1.286","","","","has coordinates,has disorder","283439","2023-05-05","03:12:38",""
"7159264","7.79528","0.00012","15.428","0.0003","21.7637","0.0006","78.203","0.0019","89.1878","0.0017","76.9905","0.0014","2494.98","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 B F4 N2 -","- C28 H31 B F4 N2 -","- C112 H124 B4 F16 N8 -","4","2","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","","1.54184","CuKα","","0.0555","0.0488","","","0.1391","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283439","2023-05-05","03:12:41",""
"7159265","7.856","0.0001","18.388","0.0002","8.8363","0.0001","90","","98.51","0.001","90","","1262.4","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C68 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0314","0.0307","","","0.08","0.0808","","","","","","1.021","","","","has coordinates","283439","2023-05-05","03:12:54",""
"7159266","12.9821","0.0001","14.7182","0.0001","14.696","0.0001","90","","114.641","0.001","90","","2552.31","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C136 H120 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0366","0.0343","","","0.0872","0.089","","","","","","1.027","","","","has coordinates","283439","2023-05-05","03:13:03",""
"7159267","7.8664","0.0001","22.4348","0.0004","22.691","0.0003","99.363","0.001","95.434","0.001","95.906","0.001","3904.79","0.1","100.02","0.13","100.02","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 B F4 N2 -","- C26 H27 B F4.001 N2 -","- C156 H162 B6 F24.006 N12 -","6","3","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.067","0.0573","","","0.1523","0.161","","","","","","1.022","","","","has coordinates,has disorder","283439","2023-05-05","03:13:08",""
"7159268","7.4375","0.0001","14.8172","0.0002","21.9398","0.0003","90","","90","","90","","2417.83","0.06","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H19 F2 N O -","- C30 H20 F2 N2 O -","- C120 H80 F8 N8 O4 -","4","1","","Beriša, Arben; Gredičak, Matija","Chiral phosphoric acid-catalyzed Friedel-Crafts reaction of 2,5-disubstituted and 2-monosubstituted pyrroles with isoindolinone-derived ketimines.","Organic & biomolecular chemistry","2023","21","16","3381","3387","10.1039/d3ob00326d","","","1.54184","CuKα","","0.0348","0.0324","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates","283442","2023-05-05","03:13:58",""
"7159269","9.8161","0.0005","17.3216","0.001","16.6079","0.001","90","","92.516","0.002","90","","2821.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O3 S -","- C32 H34 N2 O3 S -","- C128 H136 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of <i>N</i>-allenamides with <i>N</i>,<i>O</i>-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","0.71073","MoKα","","0.0498","0.0374","","","0.0877","0.0944","","","","","","1.015","","","","has coordinates","283443","2023-05-05","03:14:11",""
"7159270","9.6485","0.0003","13.5819","0.0004","22.0979","0.0006","90","","90","","90","","2895.82","0.15","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O3 S -","- C32 H33 Br N2 O3 S -","- C128 H132 Br4 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of <i>N</i>-allenamides with <i>N</i>,<i>O</i>-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","1.34139","GaKα","","0.0273","0.0262","","","0.0684","0.0694","","","","","","1.045","","","","has coordinates","283443","2023-05-05","03:14:13",""
"7159271","17.7089","0.0001","14.164","0.0001","6.7592","0.0001","90","","98.5","0.001","90","","1676.78","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N6 O -","- C19 H18 N6 O -","- C76 H72 N24 O4 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.038","0.0355","","","0.09","0.0924","","","","","","1.049","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159272","7.6452","0.0001","20.3952","0.0003","10.8627","0.0001","90","","90.594","0.001","90","","1693.68","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl F N6 O -","- C18 H16 Cl F N6 O -","- C72 H64 Cl4 F4 N24 O4 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.0379","0.0341","","","0.0879","0.0908","","","","","","1.054","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159273","13.1511","0.0001","20.8896","0.0002","7.0074","0.0001","90","","103.52","0.001","90","","1871.73","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl N6 O2 -","- C19 H19 Cl N6 O2 -","- C76 H76 Cl4 N24 O8 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.0345","0.0329","","","0.091","0.0923","","","","","","1.07","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159274","19.6065","0.0004","5.4112","0.0001","18.4634","0.0003","90","","114.742","0.002","90","","1779.05","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 -","- C20 H20 N6 -","- C80 H80 N24 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.041","0.0367","","","0.0933","0.0968","","","","","","1.038","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159275","4.9665","0.0001","11.8329","0.0002","27.6027","0.0005","90","","90","","90","","1622.16","0.05","100","","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","MN-12R","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Falkenburg, Ruben; Notheis, Maximilian J.; Schnakenburg, Gregor; von Krbek, Larissa K. S.","Twelve-membered ring photoswitches with excellent <i>Z</i> → <i>E</i> conversion under ambient light.","Organic & biomolecular chemistry","2023","21","24","4993","4998","10.1039/d3ob00413a","","","1.54186","CuKα","","0.0251","0.0249","","","0.0641","0.0643","","","","","","1.05","","","","has coordinates","284953","2023-07-05","10:48:09",""
"7159276","26.2945","0.0005","3.86139","0.00006","25.3106","0.0004","90","","94.4637","0.0017","90","","2562.07","0.08","99.95","0.1","99.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C136 H112 F8 N8 O16 -","8","1","","Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.","Concise synthesis of 2,3-disubstituted quinoline derivatives <i>via</i> ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.","Organic & biomolecular chemistry","2023","21","17","3582","3587","10.1039/d3ob00348e","","x-ray","1.54184","CuKα","","0.0367","0.033","","","0.087","0.0912","","","","","","1.036","","","","has coordinates","283437","2023-05-05","03:10:57",""
"7159277","14.9864","0.0005","4.8723","0.00014","18.6483","0.0006","90","","102.739","0.003","90","","1328.15","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.","Concise synthesis of 2,3-disubstituted quinoline derivatives <i>via</i> ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.","Organic & biomolecular chemistry","2023","21","17","3582","3587","10.1039/d3ob00348e","","x-ray","0.71073","MoKα","","0.0615","0.0464","","","0.1137","0.1255","","","","","","1.033","","","","has coordinates","283437","2023-05-05","03:11:00",""
"7159278","6.031","0.0012","9.2468","0.0018","28.59","0.006","90","","90","","90","","1594.4","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O6 S2 -","- C12 H21 N O6 S2 -","- C48 H84 N4 O24 S8 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","","0.71073","MoKα","","0.0381","0.0371","","","0.0939","0.095","","","","","","1.088","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159279","8.5031","0.0001","11.0312","0.0001","11.5319","0.0001","90","","90","","90","","1081.69","0.019","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54178","CuKα","","0.0292","0.028","","","0.0754","0.0766","","","","","","1.083","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159280","6.3656","0.00004","17.75841","0.00012","9.71022","0.00007","90","","90.3845","0.0006","90","","1097.65","0.013","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O3 -","- C9 H16 Cl N O3 -","- C36 H64 Cl4 N4 O12 -","4","2","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0293","0.0273","","","0.071","0.0722","","","","","","1.059","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159281","6.0362","0.0001","11.5263","0.0003","12.3169","0.0003","90","","90","","90","","856.95","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","0.71073","MoKα","","0.0204","0.0199","","","0.0514","0.0515","","","","","","1.08","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159282","11.5597","0.0001","10.5831","0.0001","13.6952","0.0001","90","","108.399","0.001","90","","1589.79","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O6 Si -","- C33 H41 N O6 Si -","- C66 H82 N2 O12 Si2 -","2","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0323","0.0296","","","0.0748","0.0786","","","","","","1.044","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159283","15.7306","0.0009","14.9839","0.0008","7.2686","0.0005","90","","111.748","0.008","90","","1591.31","0.19","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-(3-methyl-4-nitroso-5-phenyl-1H-pyrazol-1-yl)quinoxalin-2-ol","","- C18 H13 N5 O2 -","- C18 H13 N5 O2 -","- C72 H52 N20 O8 -","4","1","","Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A.","Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines.","Organic & biomolecular chemistry","2023","21","17","3604","3614","10.1039/d3ob00356f","powder diffraction","","1.54184","CuKα","","","","","","","","","7.6","2.02","","","","","","","has coordinates","283436","2023-05-05","03:10:49",""
"7159284","10.001","0.0017","17.669","0.003","9.0754","0.0016","90","","98.913","0.017","90","","1584.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sensitive Hydrazine Detection and Quantification with a Fluorescent Benzothiadiazole Probe: Selective Cellular and Multicellular Imaging.","","- C20 H14 N2 O2 S -","- C20 H14 N2 O2 S -","- C80 H56 N8 O8 S4 -","4","1","","Santos, Camila O.; Passos, Saulo T. A.; Sorto, Jenny E. P.; Machado, Daniel F. S.; Correa, Jose R.; da Silva Júnior, Eufrânio N; Rodrigues, Marcelo O.; Neto, Brenno A. D.","Sensitive hydrazine detection and quantification with a fluorescent benzothiadiazole sensor: selective lipid droplets and <i>in vivo</i> imaging.","Organic & biomolecular chemistry","2023","21","22","4606","4619","10.1039/d3ob00007a","","x-ray","0.71073","MoKα","","0.2507","0.1071","","","0.3109","0.3918","","","","","","1.054","","","","has coordinates","284964","2023-07-05","10:53:00",""
"7159285","6.2002","0.0009","9.3687","0.0012","15.799","0.002","101.093","0.004","99.079","0.004","105.428","0.004","846.7","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 F5 N O4 -","- C16 H16 F5 N O4 -","- C32 H32 F10 N2 O8 -","2","2","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0455","0.0326","","","0.0631","0.0673","","","","","","1.023","","","","has coordinates","284327","2023-06-05","04:56:51",""
"7159286","10.469","0.006","9.455","0.006","11.567","0.006","90","","110.556","0.014","90","","1072.1","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 F5 N O4 -","- C22 H20 F5 N O4 -","- C44 H40 F10 N2 O8 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1674","0.0687","","","0.1476","0.2072","","","","","","0.893","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159287","6.216","0.003","5.362","0.003","28.415","0.013","90","","95.424","0.012","90","","942.8","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1436","0.0899","","","0.211","0.2324","","","","","","1.085","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159288","6.2063","0.0011","13.323","0.003","16.945","0.003","90","","91.668","0.006","90","","1400.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0667","0.0416","","","0.0915","0.1036","","","","","","1.022","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159289","6.191","0.0007","14.7184","0.0016","22.774","0.003","90","","90","","90","","2075.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","1.54178","CuKα","","0.055","0.0408","","","0.0922","0.0993","","","","","","1.037","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159290","6.146","0.003","14.129","0.007","16.674","0.008","90","","99.499","0.014","90","","1428.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1915","0.0723","","","0.1772","0.271","","","","","","0.79","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159291","5.6288","0.0006","8.6039","0.0006","13.5334","0.001","101.322","0.006","97.846","0.007","91.464","0.007","635.72","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br N O4 -","- C13 H12 Br N O4 -","- C26 H24 Br2 N2 O8 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0596","0.0527","","0.1485","0.1396","0.1485","","","","","","0.9995","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159292","7.6792","0.0003","7.7206","0.0003","18.8453","0.0008","93.826","0.004","92.511","0.004","114.147","0.004","1014.16","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O4 Si -","- C19 H27 N O4 Si -","- C38 H54 N2 O8 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0502","0.041","","0.1102","0.1012","0.1102","","","","","","1.0017","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159293","5.5806","0.0001","13.5108","0.0002","15.3647","0.0003","90","","99.2499","0.0017","90","","1143.41","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0488","0.0454","","0.1238","0.1185","0.1238","","","","","","1.004","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159294","7.5827","0.0002","14.7561","0.0004","17.4215","0.0004","90","","101.342","0.002","90","","1911.24","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 F N O4 Si -","- C19 H26 F N O4 Si -","- C76 H104 F4 N4 O16 Si4 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","0.6889","Synchrotron","","0.1155","0.0967","","0.2386","0.2278","0.1797","","","","","","0.9946","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159295","7.607","0.0003","7.9569","0.0003","18.7476","0.0006","92.034","0.003","92.705","0.003","115.382","0.004","1022.12","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 F N O4 Si -","- C19 H26 F N O4 Si -","- C38 H52 F2 N2 O8 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0435","0.0399","","0.115","0.1109","0.115","","","","","","1.0023","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159296","7.6071","0.0002","8.3244","0.0003","18.1081","0.0006","92.806","0.003","91.7","0.003","107.611","0.003","1090.44","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C38 H52 N4 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0354","0.0315","","0.0855","0.0815","0.0855","","","","","","0.9943","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159297","11.7216","0.001","7.9879","0.0006","13.3513","0.0014","90","","113.311","0.012","90","","1148.1","0.2","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O6 Si -","- C21 H29 N O6 Si -","- C42 H58 N2 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0594","0.0436","","0.1173","0.1001","0.1173","","","","","","1.0019","","","","has coordinates,has disorder","284309","2023-06-05","04:51:14",""
"7159298","8.2581","0.0001","15.3881","0.0001","31.9391","0.0002","90","","90","","90","","4058.71","0.06","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C152 H208 N16 O48 Si8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0375","0.0334","","0.0932","0.0881","0.0932","","","","","","0.9967","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159299","10.4727","0.0001","8.76","0.0001","28.8275","0.0003","90","","94.2357","0.0009","90","","2637.44","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N O6 Si -","- C27 H33 N O6 Si -","- C108 H132 N4 O24 Si4 -","4","2","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.032","0.0308","","0.0832","0.0816","0.0832","","","","","","1.0042","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159300","12.9946","0.0005","9.2309","0.0003","15.3935","0.0006","90","","92.249","0.004","90","","1845.06","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0658","0.062","","0.1776","0.1721","0.1776","","","","","","1.0062","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159301","11.4163","0.0002","12.6752","0.0002","8.4365","0.0002","90","","90","","90","","1220.79","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0302","0.0294","","0.0774","0.076","0.0774","","","","","","1.0046","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159302","12.1705","0.0009","16.4186","0.001","17.4433","0.001","90","","90","","90","","3485.6","0.4","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C160 H192 O40 -","8","1","","Canko, Aleksander; Athanassopoulou, Georgia D.; Psycharis, Vassilis; Raptopoulou, Catherine P.; Herniman, Julie M.; Mouchtouris, Vasileios; Foscolos, Angeliki Sofia; Couladouros, Elias A.; Vidali, Veroniki P.","First total synthesis of type II abyssomicins: (±)-abyssomicin 2 and (±)-neoabyssomicin B.","Organic & biomolecular chemistry","2023","21","18","3761","3765","10.1039/d3ob00476g","","","0.71073","MoKα","","0.0941","0.0528","","","0.1308","0.1577","","","","","","0.912","","","","has coordinates","284330","2023-06-05","04:57:14",""
"7159303","5.4791","0.0001","14.148","0.0004","27.7407","0.0008","90","","90","","90","","2150.41","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4b-pCl","","- C20 H18 Br2 Cl2 N2 O4 -","- C20 H18 Br2 Cl2 N2 O4 -","- C80 H72 Br8 Cl8 N8 O16 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.0684","0.0693","","","","","","1.036","","","","has coordinates","284314","2023-06-05","04:52:11",""
"7159304","12.3801","0.0002","5.46613","0.00014","18.0363","0.0004","90","","93.6831","0.0018","90","","1218.02","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","4d-OCF3","","- C11 H9 Br F3 N O3 -","- C11 H9 Br F3 N O3 -","- C44 H36 Br4 F12 N4 O12 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0259","0.025","","","0.0613","0.062","","","","","","1.047","","","","has coordinates","284314","2023-06-05","04:52:12",""
"7159305","8.7205","0.0014","13.737","0.003","11.3839","0.0019","90","","100.158","0.016","90","","1342.3","0.4","293.9","0.7","293.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","x-ray","0.71073","MoKα","","0.1816","0.0778","","","0.1788","0.2429","","","","","","1.009","","","","has coordinates","284328","2023-06-05","04:57:02",""
"7159306","12.1137","0.0008","9.2789","0.0007","21.5088","0.0015","90","","90","","90","","2417.6","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C120 H80 N16 O8 -","8","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","","0.71073","MoKα","","0.0705","0.0468","","","0.1025","0.1205","","","","","","1.074","","","","has coordinates","284328","2023-06-05","04:57:03",""
"7159307","8.3581","0.0007","15.8178","0.0011","24.7199","0.0017","90","","90","","90","","3268.1","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Liu, Yi; Gao, Wei; Yuan, Sitian; Ni, Mengjia; Hao, Tianxin; Zeng, Cuiying; Xu, Xinyi; Fu, Yang; Peng, Yiyuan; Ding, Qiuping","One-pot synthesis of 11-sulfenyl dibenzodiazepines <i>via</i> tandem sulfenylation/cyclization of <i>o</i>-isocyanodiaryl amines and diaryl disulfides.","Organic & biomolecular chemistry","2023","21","20","4257","4263","10.1039/d3ob00220a","","x-ray","0.71073","MoKα","","0.0881","0.0529","","","0.1131","0.1286","","","","","","1.08","","","","has coordinates","284317","2023-06-05","04:52:35",""
"7159308","9.4108","0.0006","7.4249","0.0005","23.574","0.0016","90","","98.961","0.001","90","","1627.11","0.19","120.15","","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.04","0.0333","","","0.0761","0.0802","","","","","","1.058","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159309","8.269","0.0002","11.3776","0.0003","12.621","0.0003","65.347","0.001","81.305","0.002","82.114","0.002","1063.13","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O7 -","- C23 H25 N O7 -","- C46 H50 N2 O14 -","2","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0477","0.0384","","","0.0852","0.0981","","","","","","1.094","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159310","7.6481","0.0004","14.5397","0.0009","16.0367","0.0008","90","","97.315","0.002","90","","1768.78","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0826","0.0511","","","0.0985","0.1129","","","","","","1.033","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159311","16.0364","0.0003","7.7955","0.0002","29.9446","0.0005","90","","104.065","0.001","90","","3631.2","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0503","0.0408","","","0.0973","0.105","","","","","","1.019","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159312","8.3557","0.0002","12.0543","0.0003","12.7272","0.0003","90","","98.353","0.001","90","","1268.31","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0502","0.0401","","","0.0917","0.0978","","","","","","1.045","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159313","9.3222","0.0002","9.735","0.0002","20.5787","0.0004","90","","100.068","0.001","90","","1838.79","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0438","0.0403","","","0.1039","0.1066","","","","","","1.046","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159314","8.2903","0.0002","11.3338","0.0003","12.6044","0.0003","65.404","0.001","81.038","0.001","82.37","0.001","1060.66","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O7 -","- C22 H22 Cl N O7 -","- C44 H44 Cl2 N2 O14 -","2","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0414","0.0346","","","0.0838","0.0878","","","","","","1.031","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159315","18.0942","0.0006","12.8516","0.0004","20.5407","0.0007","90","","93.074","0.002","90","","4769.6","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 N O7 -","- C28 H27 N O7 -","- C224 H216 N8 O56 -","8","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0779","0.0491","","","0.1055","0.1239","","","","","","1.027","","","","has coordinates,has disorder","284325","2023-06-05","04:56:25",""
"7159316","7.3053","0.0003","12.1351","0.0004","18.2588","0.0009","90","","92.115","0.004","90","","1617.55","0.12","113.7","0.14","113.7","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","1","","Cao, Yang; Liu, Xiaoyu; Wang, Zhe; Wang, Yuan; Jiao, Xiaozhen; Xie, Ping","Convenient synthesis of perhydrobenz[<i>e</i>]indene triketone, a key intermediate for the total synthesis of stelletins.","Organic & biomolecular chemistry","2023","21","18","3850","3857","10.1039/d3ob00319a","","x-ray","0.71073","MoKα","","0.0612","0.0465","","","0.1033","0.1129","","","","","","1.037","","","","has coordinates","284329","2023-06-05","04:57:08",""
"7159317","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","1","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","284324","2023-06-05","04:54:35",""
"7159318","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","1","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","284324","2023-06-05","04:55:33",""
"7159319","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","284324","2023-06-05","04:55:41",""
"7159320","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","284324","2023-06-05","04:55:55",""
"7159321","7.0003","0.0005","7.5875","0.0003","9.1343","0.0007","90","","106.874","0.007","90","","464.28","0.05","102","4","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6d","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","1.54184","CuKα","","0.042","0.0418","","","0.1152","0.1154","","","","","","1.071","","","","has coordinates,has disorder","284311","2023-06-05","04:51:36",""
"7159322","7.1914","0.0004","10.5484","0.0005","24.6032","0.0013","90","","91.051","0.004","90","","1866.03","0.17","100","0.11","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 O5 Si -","- C18 H28 O5 Si -","- C72 H112 O20 Si4 -","4","2","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","0.71073","MoKα","","0.0667","0.0481","","","0.0988","0.1049","","","","","","1.012","","","","has coordinates","284311","2023-06-05","04:51:36",""
"7159323","11.3098","0.0007","12.4371","0.0015","12.7916","0.0013","113.736","0.011","104.197","0.007","95.841","0.007","1555.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H78 N8 Zn2 -","- C73 H70 N8 Zn2 -","- C73 H70 N8 Zn2 -","1","0.5","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0918","0.0687","","","0.1934","0.2183","","","","","","0.926","","","","has coordinates","284318","2023-06-05","04:52:42",""
"7159324","6.8198","0.0002","11.6463","0.0004","12.6683","0.0005","90","","99.955","0.003","90","","991.04","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N Si -","- C25 H23 N Si -","- C50 H46 N2 Si2 -","2","1","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0547","0.0532","","","0.1464","0.1483","","","","","","1.1","","","","has coordinates","284318","2023-06-05","04:52:42",""
"7159325","7.1923","0.0014","9.941","0.002","15.929","0.003","107.89","0.03","92.67","0.03","90.21","0.03","1082.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Nazeri, Mohammad Taghi; Ahmadi, Masoomeh; Ghasemi, Maryam; Shaabani, Ahmad; Notash, Behrouz","The new synthesis of pyrrole-fused dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine/thiazepines by the pseudo-Joullié-Ugi reaction <i>via</i> an unexpected route with high chemoselectivity.","Organic & biomolecular chemistry","2023","21","19","4095","4108","10.1039/d3ob00250k","","","0.71073","MoKα","","0.0941","0.0594","","","0.1398","0.1547","","","","","","0.959","","","","has coordinates","284313","2023-06-05","04:51:58",""
"7159326","12.6563","0.0006","9.6499","0.0004","14.6371","0.0007","90","","104.392","0.005","90","","1731.56","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Wang, Yufeng; Li, Qiang; Song, Xiaopei; Wang, Jing; Yin, Xiangcong; Li, Shuai-Shuai; Wang, Liang","Chemoselective and diastereoselective construction of 4-alkylidene-tetrahydroquinoline <i>via</i> a redox-neutral vinylogous cascade [1,7]-hydride transfer/6-<i>endo-trig</i> cyclization strategy.","Organic & biomolecular chemistry","2023","21","19","4007","4012","10.1039/d3ob00223c","","","1.54184","CuKα","","0.069","0.0518","","","0.1287","0.1457","","","","","","1.044","","","","has coordinates","284312","2023-06-05","04:51:42",""
"7159327","7.6654","0.0006","23.1002","0.0014","12.1164","0.0009","90","","98.245","0.002","90","","2123.3","0.3","152","","152","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C100 H84 N12 O8 S4 -","4","1","","Huang, Chaoman; Jin, Zefeng; Zhang, Bei; Zhou, Yuanyuan; Lin, Huiting; Kang, Honglan; Shen, Guodong; Lv, Xin","One-pot synthesis of 4-(imidazol-1-yl)indole derivatives through a sequential dearomatization and Ag-catalyzed cyclization/Cs<sub>2</sub>CO<sub>3</sub>-mediated addition/aromatization reaction.","Organic & biomolecular chemistry","2023","21","20","4245","4256","10.1039/d3ob00316g","","","0.71073","MoKα","","0.0728","0.0467","","","0.1118","0.1315","","","","","","0.968","","","","has coordinates","284315","2023-06-05","04:52:20",""
"7159328","9.3963","0.0007","9.7124","0.0009","12.0714","0.001","90","","90","","90","","1101.64","0.16","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","benzo[c]tetrazolo[2,3-a]cinnoline-2-thione","benzo[c]tetrazolo[2,3-a]cinnolinium-2-thiolate","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Nakata, Mirai; Hirashita, Tsunehisa; Konishi, Yoshikazu; Araki, Shuki","Synthesis of stable class 5 mesoionic benzo[<i>c</i>]tetrazolo[2,3-<i>a</i>]cinnolinium thiolate, dicyanomethylide, and amides.","Organic & biomolecular chemistry","2023","21","20","4282","4289","10.1039/d3ob00362k","","","0.71075","MoKα","","","0.0374","","","","0.0653","","","","","","0.887","","","","has coordinates","284319","2023-06-05","04:52:47",""
"7159329","8.03311","0.0001","24.9979","0.0003","8.69995","0.0001","90","","99.4412","0.0012","90","","1723.38","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ray","","- C23 H16 F O2 -","- C23 H17 F O2 -","- C92 H68 F4 O8 -","4","1","","Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar","Electronically-controlled diastereoselective synthesis of spirocycles <i>via</i> [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.","Organic & biomolecular chemistry","2023","21","20","4195","4199","10.1039/d3ob00417a","","","1.54184","CuKα","","0.0498","0.0462","","","0.1183","0.1221","","","","","","1.09","","","","has coordinates","284321","2023-06-05","04:53:06",""
"7159330","12.38262","0.00019","11.76838","0.00019","14.2059","0.0002","90","","94.2755","0.0014","90","","2064.37","0.05","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar","Electronically-controlled diastereoselective synthesis of spirocycles <i>via</i> [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.","Organic & biomolecular chemistry","2023","21","20","4195","4199","10.1039/d3ob00417a","","","1.54184","CuKα","","0.0427","0.0362","","","0.0924","0.097","","","","","","1.0321","","","","has coordinates","284321","2023-06-05","04:53:06",""
"7159331","12.4978","0.0004","12.7398","0.0004","26.8939","0.0008","89.765","0.002","78.137","0.002","89.937","0.002","4190.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H37 B31 F6 N2 S3 -","- C21 H37 B31 F6 N2 S3 -","- C84 H148 B124 F24 N8 S12 -","4","2","","Zaitsev, Andrei V.; Kiselev, Sergey S.; Smol'yakov, Alexander F.; Fedorov, Yury V.; Kononova, Elena G.; Borisov, Yurii A.; Ol'shevskaya, Valentina A.","BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.","Organic & biomolecular chemistry","2023","21","19","4084","4094","10.1039/d3ob00255a","","","0.71073","MoKα","","0.1306","0.122","","","0.2832","0.287","","","","","","1.208","","","","has coordinates,has disorder","284310","2023-06-05","04:51:29",""
"7159332","12.5301","0.0003","40.7622","0.0009","12.8513","0.0003","90","","90.024","0.001","90","","6563.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B21 F7 N2 S2 -","- C19 H26 B21 F7 N2 S2 -","- C152 H208 B168 F56 N16 S16 -","8","2","","Zaitsev, Andrei V.; Kiselev, Sergey S.; Smol'yakov, Alexander F.; Fedorov, Yury V.; Kononova, Elena G.; Borisov, Yurii A.; Ol'shevskaya, Valentina A.","BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.","Organic & biomolecular chemistry","2023","21","19","4084","4094","10.1039/d3ob00255a","","","0.71073","MoKα","","0.1285","0.1256","","","0.2916","0.2928","","","","","","1.227","","","","has coordinates","284310","2023-06-05","04:51:30",""
"7159333","8.95724","0.00019","9.43219","0.00018","22.4623","0.0004","90","","90","","90","","1897.76","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.0388","","","0.1006","0.103","","","","","","1.094","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159334","7.75334","0.00011","12.14604","0.00019","19.62","0.0003","90","","90","","90","","1847.66","0.05","199.99","0.1","199.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0417","0.0406","","","0.1002","0.1012","","","","","","1.089","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159335","9.35263","0.00013","15.2684","0.0002","9.55302","0.00017","90","","90.5004","0.0015","90","","1364.12","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O6 -","- C30 H40 O6 -","- C60 H80 O12 -","2","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0389","0.0378","","","0.0955","0.0972","","","","","","1.059","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159336","12.6389","0.0002","11.9203","0.0002","12.9914","0.0003","90","","108.143","0.002","90","","1859.97","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.102","0.1055","","","","","","1.028","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159337","8.929","0.003","9.985","0.003","10.178","0.003","101.361","0.006","92.022","0.007","108.738","0.007","837.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 F3 N2 O S -","- C19 H13 F3 N2 O S -","- C38 H26 F6 N4 O2 S2 -","2","1","","Wang, Wei; Qin, Zhaoliang; Zhang, Xinhui; Zhao, Wanxiang; Yang, Wen","Catalyst-free C(sp<sup>3</sup>)-H functionalization of methyl azaarenes with heteroaromatic trifluoromethyl ketone hydrates: ""all-water"" synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","20","4304","4308","10.1039/d3ob00566f","","","0.71073","MoKα","","0.1064","0.0932","","","0.2208","0.231","","","","","","1.058","","","","has coordinates","284316","2023-06-05","04:52:26",""
"7159338","12.3698","0.0005","17.4754","0.0008","12.4146","0.0005","90","","117.668","0.002","90","","2376.76","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Br O3 -","- C31 H21 Br O3 -","- C124 H84 Br4 O12 -","4","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.1129","0.0816","","","0.202","0.2545","","","","","","1.2","","","","has coordinates","284332","2023-06-05","04:57:28",""
"7159339","22.4516","0.0005","22.4516","0.0005","7.6085","0.0002","90","","90","","90","","3835.25","0.16","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","hd_fjy21","","","- C25 H19 Cl O2 -","- C25 H19 Cl O2 -","- C200 H152 Cl8 O16 -","8","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.0773","0.0466","","","0.079","0.088","","","","","","1.047","","","","has coordinates","284332","2023-06-05","04:57:28",""
"7159340","16.128","0.006","5.8764","0.0019","26.359","0.009","90","","90","","90","","2498.2","1.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","2","","He, Ying; Wang, Qing; Yin, Hongquan; Chen, Fu-Xue","Copper(I)-catalyzed electrophilic thiocyanation/dearomatization/spirocyclization of benzofurans to synthesize benzannulated spiroketals.","Organic & biomolecular chemistry","2023","21","20","4216","4219","10.1039/d3ob00438d","","","0.71073","MoKα","","0.2397","0.1322","","","0.2315","0.2698","","","","","","0.996","","","","has coordinates","284323","2023-06-05","04:53:21",""
"7159341","11.094","0.01","12.199","0.012","22.35","0.02","90","","90","","90","","3025","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 B N2 O Si -","- C15 H17 B N2 O Si -","- C120 H136 B8 N16 O8 Si8 -","8","1","","Tomota, Kazuki; Izumi, Yuki; Nakanishi, Kazuki; Nakamoto, Masaaki; Yoshida, Hiroto","Efficient one-pot synthesis of dan-substituted organo- and silyl-boron compounds.","Organic & biomolecular chemistry","2023","21","26","5347","5350","10.1039/d3ob00613a","","","0.71073","MoKα","","0.0697","0.042","","","0.0982","0.1121","","","","","","1.024","","","","has coordinates","285516","2023-08-05","09:31:52",""
"7159342","11.814","0.01","7.317","0.007","24.063","0.019","90","","100.468","0.012","90","","2045","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F N O3 -","- C26 H18 F N O3 -","- C104 H72 F4 N4 O12 -","4","1","","Banda, Bhanu Prasad; Medishetti, Nagaraju; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One-pot domino synthesis of five- and six-membered fused dihydropyridines promoted by PPh<sub>3</sub>-NBS in aqueous medium.","Organic & biomolecular chemistry","2023","21","21","4434","4439","10.1039/d3ob00472d","","","0.71073","MoKα","","0.1528","0.066","","","0.1366","0.1729","","","","","","1.017","","","","has coordinates","284334","2023-06-05","04:57:41",""
"7159343","10.1865","0.0002","11.3004","0.0002","19.1635","0.0004","90","","103.307","0.002","90","","2146.71","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N3 -","- C27 H19 F2 N3 -","- C108 H76 F8 N12 -","4","1","","Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing","Construction of 1,2-dihydro-1,3,5-triazines <i>via</i> reactions involving amidines.","Organic & biomolecular chemistry","2023","21","20","4269","4275","10.1039/d3ob00283g","","x-ray","1.54184","CuKα","","0.0638","0.0578","","","0.1521","0.1584","","","","","","1.097","","","","has coordinates","284322","2023-06-05","04:53:14",""
"7159344","9.5634","0.0005","33.8247","0.0015","12.595","0.0007","90","","111.385","0.006","90","","3793.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N6 -","- C46 H42 N6 -","- C184 H168 N24 -","4","1","","Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing","Construction of 1,2-dihydro-1,3,5-triazines <i>via</i> reactions involving amidines.","Organic & biomolecular chemistry","2023","21","20","4269","4275","10.1039/d3ob00283g","","","0.71073","MoKα","","0.1085","0.0702","","","0.1913","0.2194","","","","","","1.049","","","","has coordinates","284322","2023-06-05","04:53:14",""
"7159345","10.2906","0.0008","10.4146","0.0008","10.5305","0.0007","115.04","0.003","94.445","0.003","99.671","0.003","993.93","0.13","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Harvey, Freya M.; Heidecker, Alexandra H.; Merten, Christian; Bach, Thorsten","Diastereoselective, Lewis acid-mediated Diels-Alder reactions of allenoic acid derivatives and 1,3-cyclopentadienes.","Organic & biomolecular chemistry","2023","21","21","4422","4428","10.1039/d3ob00598d","","x-ray","0.71073","MoKα","","0.0527","0.048","","","0.1224","0.1274","","","","","","1.075","","","","has coordinates","284337","2023-06-05","04:58:17",""
"7159346","10.1902","0.00011","11.29931","0.00013","21.3624","0.0003","90","","90","","90","","2459.71","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Li, Kuiliang; Gao, Siyu; Zha, Zhenggen; Wang, Zhiyong","Construction of chiral <i>N</i>,<i>O</i>-hemiaminals <i>via</i> a copper-catalyzed enantioselective Michael/<i>N</i>-hemiacetalization cascade reaction.","Organic & biomolecular chemistry","2023","21","21","4404","4408","10.1039/d3ob00542a","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0816","0.082","","","","","","1.074","","","","has coordinates","284333","2023-06-05","04:57:34",""
"7159347","8.4782","0.0013","14.044","0.002","14.818","0.002","90","","90","","90","","1764.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br2 N O2 -","- C18 H17 Br2 N O2 -","- C72 H68 Br8 N4 O8 -","4","1","","Zhang, Huaxin; Xiong, Yongge; Bai, Jiang; Yang, Ruchun; Song, Xian-Rong; Xiao, Qiang","Synthesis of <i>gem</i>-dibromo 1,3-oxazines by NBS-mediated electrophilic cyclization of propargylic amides.","Organic & biomolecular chemistry","2023","21","22","4578","4582","10.1039/d3ob00623a","","","0.71073","MoKα","","0.0424","0.0302","","","0.0599","0.0629","","","","","","0.919","","","","has coordinates","284961","2023-07-05","10:51:35",""
"7159348","12.2907","0.0004","9.6187","0.0002","29.8472","0.0007","90","","97.427","0.002","90","","3498.95","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N6 O2 -","- C39 H39 Cl N6 O2 -","- C156 H156 Cl4 N24 O8 -","4","1","","Gond, Sarita; Yadav, Pranjalee; Singh, Aayoosh; Garai, Somenath; Shekher, Anusmita; Gupta, Subash Chandra; Singh, Vinod P.","A colorimetric and 'OFF-ON' fluorometric chemosensor based on a rhodamine-pyrazole derivative for the detection of Al<sup>3+</sup>, Fe<sup>3+</sup>and Cr<sup>3+</sup>metal ions, and its intracellular application.","Organic & biomolecular chemistry","2023","21","21","4482","4490","10.1039/d3ob00434a","","","0.71073","MoKα","","0.1082","0.0732","","","0.2133","0.2474","","","","","","1.063","","","","has coordinates,has disorder","284331","2023-06-05","04:57:21",""
"7159349","9.1365","0.0002","21.846","0.0004","10.2421","0.0002","90","","116.044","0.001","90","","1836.7","0.07","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Zhang, Tao; Ni, Yifeng; Sun, Jiangtao","Copper-catalyzed reaction of benzoxazinanones with sulfilimines: access to 2-ethynyl-benzoimidazoles <i>via</i> an abnormal skeletal rearrangement.","Organic & biomolecular chemistry","2023","21","22","4583","4586","10.1039/d3ob00569k","","","1.34139","GaKα","","0.0389","0.0351","","","0.0922","0.0948","","","","","","1.05","","","","has coordinates","284966","2023-07-05","10:54:22",""
"7159350","9.1583","0.0002","21.877","0.0003","10.2542","0.0002","90","","114.233","0.002","90","","1873.46","0.07","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N3 O4 S -","- C21 H15 N3 O4 S -","- C84 H60 N12 O16 S4 -","4","1","","Zhang, Tao; Ni, Yifeng; Sun, Jiangtao","Copper-catalyzed reaction of benzoxazinanones with sulfilimines: access to 2-ethynyl-benzoimidazoles <i>via</i> an abnormal skeletal rearrangement.","Organic & biomolecular chemistry","2023","21","22","4583","4586","10.1039/d3ob00569k","","","1.54184","CuKα","","0.04","0.038","","","0.1045","0.106","","","","","","1.054","","","","has coordinates","284966","2023-07-05","10:54:22",""
"7159351","15.1655","0.0005","10.6137","0.0004","30.1233","0.001","90","","100.943","0.0017","90","","4760.5","0.3","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 O12 S4 -","- C45.0008 H58.0018 O12.0002 S4.0002 -","- C180.003 H232.007 O48.0008 S16.0008 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54178","CuKα","","0.0575","0.0482","","0.1345","0.1269","0.1345","","","","","","0.9864","","","","has coordinates,has disorder","284965","2023-07-05","10:53:36",""
"7159352","12.4947","0.0005","12.7653","0.0006","19.6418","0.0008","92.4959","0.0017","90.0704","0.0016","112.64","0.0015","2888.1","0.2","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C51.88 H70.34 Cl3.47 O12.16 S4 -","- C51.882 H70.337 Cl3.472 O12.163 S4 -","- C103.764 H140.674 Cl6.944 O24.326 S8 -","2","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0716","0.0569","","0.1685","0.1435","0.1685","","","","","","0.9965","","","","has coordinates,has disorder","284965","2023-07-05","10:53:47",""
"7159353","13.7722","0.0005","14.5337","0.0005","25.6391","0.0009","79.646","0.002","88.001","0.002","78.359","0.002","4944.5","0.3","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C47.18 H62.72 O12.18 S4 -","- C47.1805 H62.722 O12.1805 S4 -","- C188.722 H250.888 O48.722 S16 -","4","2","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54178","CuKα","","0.0841","0.0748","","0.1911","0.1832","0.1911","","","","","","0.9947","","","","has coordinates,has disorder","284965","2023-07-05","10:53:52",""
"7159354","14.1073","0.0002","17.6934","0.0005","19.5984","0.0004","70.921","0.002","89.762","0.0014","83.5928","0.0017","4591.56","0.18","95","","95","","","","101","","","","","4","P -1","-P 1","2","","","","- C43 H52 O12 S4 -","- C43 H52 O12 S4 -","- C172 H208 O48 S16 -","4","2","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54184","CuKα","","0.0588","0.0507","","0.136","0.1286","0.136","","","","","","1.001","","","","has coordinates,has disorder","284965","2023-07-05","10:54:05",""
"7159355","11.7275","0.0007","35.321","0.002","12.2803","0.0006","90","","101.324","0.0019","90","","4987.8","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H64 O10 S4 -","- C49.003 H64.009 O10 S4 -","- C196.012 H256.036 O40 S16 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0512","0.0413","","0.104","0.0981","0.104","","","","","","1.03","","","","has coordinates,has disorder","284965","2023-07-05","10:54:10",""
"7159356","6.4411","0.0008","30.63","0.004","8.013","0.0009","90","","101.461","0.006","90","","1549.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","2","","Mortensen, Kim T.; Wong, Denedy S. Y.; King, Thomas A.; Sore, Hannah F.; Spring, David R.","Synthesis of sp<sup>3</sup>-rich heterocyclic frameworks by a divergent synthesis strategy.","Organic & biomolecular chemistry","2023","21","22","4591","4595","10.1039/d3ob00351e","","","1.54178","CuKα","","0.1657","0.0748","","","0.1326","0.1673","","","","","","1.006","","","","has coordinates","284962","2023-07-05","10:52:03",""
"7159357","11.1319","0.0006","12.1324","0.0006","12.4463","0.0006","68.619","0.002","81.912","0.002","65.651","0.002","1425.95","0.13","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 F3 N5 O6 S -","- C24 H32 F3 N5 O6 S -","- C48 H64 F6 N10 O12 S2 -","2","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.1261","0.0715","","","0.1884","0.2266","","","","","","1.04","","","","has coordinates","284963","2023-07-05","10:52:38",""
"7159358","8.2123","0.0004","8.7897","0.0003","30.3416","0.0012","90","","90","","90","","2190.17","0.16","193","","193","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C96 H120 N24 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0975","0.0684","","","0.1396","0.1531","","","","","","1.154","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159359","11.3145","0.0015","4.9401","0.0006","33.363","0.004","90","","92.022","0.004","90","","1863.7","0.4","192.9","","192.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F3 N2 O -","- C21 H23 F3 N2 O -","- C84 H92 F12 N8 O4 -","4","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.1407","0.067","","","0.1408","0.1758","","","","","","1.028","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159360","13.566","0.0003","13.566","0.0003","18.1175","0.0006","90","","90","","90","","3334.28","0.15","113.15","","113.15","","","","","","","","","5","I -4","I -4","82","","(1S,2R,2'R,4R)-2'-((4-(trifluoromethyl)phenyl)amino)spiro[bicyclo[2.2.1]heptane-2,1'-cyclohexan]-3-one","","- C19 H22 F3 N O -","- C19 H22 F3 N O -","- C152 H176 F24 N8 O8 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0405","0.0368","","","0.083","0.0859","","","","","","1.037","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159361","15.245","0.004","18.74","0.005","8.084","0.002","90","","100.44","0.007","90","","2271.3","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H17 N O2 S2 -","- C31 H17 N O2 S2 -","- C124 H68 N4 O8 S8 -","4","0.5","","Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.","Organic & biomolecular chemistry","2023","21","21","4504","4517","10.1039/d3ob00407d","","","0.71073","MoKα","","0.0667","0.046","","","0.113","0.1265","","","","","","1.025","","","","has coordinates","284336","2023-06-05","04:57:58",""
"7159362","7.2154","0.0011","12.0896","0.0017","27.443","0.004","90","","96.196","0.004","90","","2379.9","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 N O2 -","- C35 H21 N O2 -","- C140 H84 N4 O8 -","4","1","","Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.","Organic & biomolecular chemistry","2023","21","21","4504","4517","10.1039/d3ob00407d","","","0.71073","MoKα","","0.0816","0.0518","","","0.1252","0.1449","","","","","","1.015","","","","has coordinates","284336","2023-06-05","04:58:08",""
"7159363","10.0642","0.0007","7.3128","0.0005","23.5961","0.0016","90","","97.735","0.002","90","","1720.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Das, Jonali; Gogoi, Abhijit; Borah, Biraj Jyoti; Das, Sajal Kumar","An epoxide-opening cyclization/double Smiles rearrangement cascade approach to <i>N</i>-aryl-1,4-benzoxazines and <i>N</i>-arylindolines.","Organic & biomolecular chemistry","2023","21","23","4755","4759","10.1039/d3ob00440f","","","0.71073","MoKα","","0.0412","0.0343","","","0.0833","0.0868","","","","","","0.989","","","","has coordinates","284970","2023-07-05","10:56:16",""
"7159364","10.1807","0.0003","21.2316","0.0005","16.3707","0.0004","90","","104.958","0.003","90","","3418.67","0.16","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 F6 N4 -","- C16 H10 F6 N4 -","- C128 H80 F48 N32 -","8","1","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles <i>via</i> condensation of diamines or amino(thio)phenols with CF<sub>3</sub>CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","x-ray","1.54184","CuKα","","0.1253","0.0998","","","0.2869","0.3057","","","","","","1.07","","","","has coordinates,has disorder","284971","2023-07-05","10:57:01",""
"7159365","29.3359","0.0004","9.2413","0.0001","38.2126","0.0006","90","","90.052","0.001","90","","10359.5","0.2","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Br F3 N4 -","- C8 H8 Br F3 N4 -","- C256 H256 Br32 F96 N128 -","32","8","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles <i>via</i> condensation of diamines or amino(thio)phenols with CF<sub>3</sub>CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","","1.54178","CuKα","","0.1346","0.1209","","","0.344","0.3618","","","","","","1.414","","","","has coordinates","284971","2023-07-05","10:57:16",""
"7159366","6.5034","0.0009","20.107","0.003","9.4107","0.0013","90","","108.768","0.006","90","","1165.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Samuel Rajan, Ida Angel Priya; Rajendran, Saravanakumar","Amidic resonance not a barrier for transamidation of <i>N</i>-pivaloyl activated amides: catalyst, base and additive free conditions.","Organic & biomolecular chemistry","2023","21","23","4760","4765","10.1039/d3ob00418j","","","0.71073","MoKα","","0.06","0.0451","","","0.1087","0.1162","","","","","","1.068","","","","has coordinates","284969","2023-07-05","10:55:41",""
"7159367","8.6369","0.0001","15.1727","0.0002","13.7486","0.0002","90","","92.342","0.001","90","","1800.18","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(1R,2R)-N,N?-Bis(salicylidene)-1,2-cyclohexanediaminoiron(III) chloride","","- C20 H20 Cl Fe N2 O2 -","- C20 H20 Cl Fe N2 O2 -","- C80 H80 Cl4 Fe4 N8 O8 -","4","2","","Hansen, Nicolai S. B.; Monda, Fabrizio; Bro, Frederik Simonsen; Liu, Xiyue; Ahlquist, Mårten S G; Madsen, Robert","Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(III) salen catalyst.","Organic & biomolecular chemistry","2023","21","23","4794","4800","10.1039/d3ob00466j","","x-ray","1.54184","CuKα","","0.0279","0.0266","","","0.0682","0.0691","","","","","","1.037","","","","has coordinates","284973","2023-07-05","10:58:18",""
"7159368","8.6002","0.0016","15.401","0.003","10.5083","0.0019","90","","92.277","0.005","90","","1390.7","0.5","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N O P -","- C34 H32 N O P -","- C68 H64 N2 O2 P2 -","2","1","","Su, Qin; Hou, Chuan-Jin; Wei, De-Quan; Qin, Hao; Liang, Ding-Hua; Hu, Xiang-Ping","New P,N<sub>sp3</sub> ligands for palladium-catalyzed asymmetric allylic substitutions.","Organic & biomolecular chemistry","2023","21","23","4874","4880","10.1039/d3ob00519d","","","1.54178","CuKα","","0.0291","0.0289","","","0.0788","0.079","","","","","","1.039","","","","has coordinates","284972","2023-07-05","10:57:47",""
"7159369","12.798","0.0002","18.4962","0.0003","8.688","0.0001","90","","91.838","0.0014","90","","2055.52","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O6 -","- C22 H22 F N O6 -","- C88 H88 F4 N4 O24 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0436","0.0381","","0.1043","0.0977","0.1043","","","","","","0.9978","","","","has coordinates","284974","2023-07-05","10:59:32",""
"7159370","8.2739","0.0004","10.4856","0.0006","13.0102","0.0007","85.539","0.004","72.759","0.005","69.075","0.005","1006.41","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F N O6 -","- C22 H22 F N O6 -","- C44 H44 F2 N2 O12 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0606","0.0427","","0.1125","0.0987","0.1121","","","","","","0.9969","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159371","7.7501","0.0002","11.9848","0.0003","13.8497","0.0003","99.82","0.002","100.855","0.002","94.018","0.002","1237.92","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 F2 N2 O4 -","- C28 H28 F2 N2 O4 -","- C56 H56 F4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0361","0.0336","","0.0911","0.0886","0.0911","","","","","","1.0021","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159372","18.3885","0.0004","8.1423","0.0001","19.1867","0.0005","90","","117.342","0.003","90","","2551.78","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C120 H136 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0528","0.0464","","0.1352","0.1312","0.123","","","","","","1.0137","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159373","10.8376","0.0004","16.1029","0.0005","14.4057","0.0005","90","","106.348","0.004","90","","2412.39","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0581","0.0438","","0.1175","0.1043","0.1167","","","","","","1.0052","","","","has coordinates,has disorder","284974","2023-07-05","10:59:35",""
"7159374","9.4512","0.0001","11.0365","0.0002","28.8706","0.0004","90","","93.6424","0.0014","90","","3005.36","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N2 O7 -","- C33 H36 N2 O7 -","- C132 H144 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0417","0.0347","","0.0927","0.0854","0.0927","","","","","","1.0011","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159375","9.7028","0.0003","10.3166","0.0002","17.6915","0.0004","78.751","0.002","76.109","0.002","69.254","0.002","1595.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N2 O9 -","- C35 H40 N2 O9 -","- C70 H80 N4 O18 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0351","0.0321","","0.0842","0.0811","0.0836","","","","","","0.9937","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159376","20.3461","0.0007","7.4845","0.0002","20.4659","0.0007","90","","108.544","0.004","90","","2954.74","0.18","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0737","0.0544","","0.1504","0.1329","0.1504","","","","","","1.0153","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159377","9.9393","0.0002","12.8109","0.0007","13.7065","0.0006","72.892","0.004","83.254","0.003","82.124","0.003","1646.81","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N2 O7 -","- C36 H42 N2 O7 -","- C72 H84 N4 O14 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0465","0.0422","","0.1117","0.1068","0.1117","","","","","","1.0023","","","","has coordinates,has disorder","284974","2023-07-05","10:59:35",""
"7159378","10.1492","0.0004","11.6174","0.0006","11.7103","0.0005","80.333","0.004","72.281","0.004","86.447","0.004","1296.47","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O4 -","- C28 H28 Cl2 N2 O4 -","- C56 H56 Cl4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0367","0.0336","","0.089","0.0858","0.089","","","","","","0.9936","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159379","11.9604","0.0001","10.7261","0.0001","23.5537","0.0002","90","","95.4393","0.0007","90","","3008.06","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F2 N2 O7 -","- C33 H34 F2 N2 O7 -","- C132 H136 F8 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0451","0.043","","0.1179","0.1149","0.1179","","","","","","1.0022","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159380","10.268","0.0004","11.6652","0.0004","11.8384","0.0004","80.247","0.003","71.111","0.003","86.325","0.003","1322.17","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Br2 N2 O4 -","- C28 H28 Br2 N2 O4 -","- C56 H56 Br4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0274","0.0251","","0.0665","0.0644","0.0665","","","","","","1.0078","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159381","9.7168","0.0001","11.1041","0.0001","28.6225","0.0003","90","","92.0001","0.001","90","","3086.38","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 F2 N2 O7 -","- C33 H34 F2 N2 O7 -","- C132 H136 F8 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0437","0.0374","","0.1018","0.095","0.1018","","","","","","1.0056","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159382","8.2381","0.0002","9.8787","0.0003","25.0484","0.0006","90.026","0.002","92.03","0.002","91.303","0.002","2036.67","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O9 S2 -","- C18 H18 N2 O9 S2 -","- C72 H72 N8 O36 S8 -","4","2","","Wade, Peter A.; Tandon, Ruchi; Carroll, Patrick J.","Cyclic β-hydroxy-α-nitrosulfone isomers readily interconvert <i>via</i> open-chain aldehyde forms.","Organic & biomolecular chemistry","2023","21","24","5033","5039","10.1039/d3ob00349c","","x-ray","1.54184","CuKα","","0.0579","0.0554","","","0.1538","0.1561","","","","","","1.063","","","","has coordinates","284956","2023-07-05","10:48:34",""
"7159383","5.6195","0.0005","18.5139","0.0015","12.9119","0.001","90","","99.887","0.003","90","","1323.39","0.19","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Zhang, Nan; Ma, Hai; Cheung, Chi Wai; Zhang, Fa-Guang; Jasiński, Marcin; Ma, Jun-An; Nie, Jing","Regioselective [3 + 2] cycloaddition of di/trifluoromethylated hydrazonoyl chlorides with fluorinated nitroalkenes: a facile access to 3-di/trifluoroalkyl-5-fluoropyrazoles.","Organic & biomolecular chemistry","2023","21","24","5040","5045","10.1039/d3ob00644a","","x-ray","0.71073","MoKα","","0.0819","0.0465","","","0.0961","0.1091","","","","","","1.027","","","","has coordinates","284957","2023-07-05","10:48:42",""
"7159384","28.851","0.0017","15.3005","0.0009","12.0037","0.0007","90","","96.747","0.002","90","","5262.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C65 H63 F N3 O6 Rh -","- C61 H55 F N3 O4 Rh -","- C244 H220 F4 N12 O16 Rh4 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0583","0.0506","","","0.1296","0.134","","","","","","1.043","","","","has coordinates","284960","2023-07-05","10:50:42",""
"7159385","6.7321","0.0002","9.8995","0.0003","41.9029","0.0012","90","","90","","90","","2792.59","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O7 -","- C32 H40 O7 -","- C128 H160 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0622","0.0505","","","0.1025","0.1059","","","","","","1.199","","","","has coordinates","284960","2023-07-05","10:50:47",""
"7159386","6.4651","0.0002","9.9755","0.0003","41.8034","0.0012","90","","90","","90","","2696.01","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O7 -","- C31 H38 O7 -","- C124 H152 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.03","0.0285","","","0.0694","0.0704","","","","","","1.09","","","","has coordinates","284960","2023-07-05","10:50:51",""
"7159387","14.5478","0.0012","9.6153","0.0008","10.2086","0.0009","90","","101.992","0.004","90","","1396.8","0.2","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N3 O -","- C16 H10 F3 N3 O -","- C64 H40 F12 N12 O4 -","4","1","","Chi, Rong; Wu, Jia-Xue; Li, Da-Cheng; Dou, Jian-Min; Wang, Huai-Wei","Rh<sup>III</sup>-promoted directed C-H N-heteroarylation of 2-pyridones.","Organic & biomolecular chemistry","2023","21","25","5288","5296","10.1039/d3ob00578j","","","0.71073","MoKα","","0.1186","0.077","","","0.2114","0.2344","","","","","","1.101","","","","has coordinates","284968","2023-07-05","10:55:06",""
"7159388","10.2811","0.0005","14.3963","0.0006","10.3695","0.0004","90","","116.722","0.001","90","","1370.87","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F3 N2 O2 S -","- C13 H13 F3 N2 O2 S -","- C52 H52 F12 N8 O8 S4 -","4","1","","Prasad, Madavi S.; Bharani, Sankar; Sivaprakash, Murugesan; Vadivelu, Prabha; Kumar, Durairajan Siva Sundara; Chowhan, L. Raju","<i>N</i>-2,2,2-Trifluoroethylisatin ketimine as a 1,2-dipolarophile for [3 + 2]-addition to access optically pure spirothiazolidine oxindoles.","Organic & biomolecular chemistry","2023","21","24","4972","4976","10.1039/d3ob00685a","","","0.71073","MoKα","","0.0605","0.046","","","0.113","0.125","","","","","","1.039","","","","has coordinates","284954","2023-07-05","10:48:19",""
"7159389","5.5623","0.0011","18.321","0.003","9.2234","0.0017","90","","91.534","0.016","90","","939.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O -","- C10 H8 F3 N O -","- C40 H32 F12 N4 O4 -","4","2","","Wang, Nana; Du, Youlong; Mei, Haibo; Escorihuela, Jorge; Han, Jianlin","A Cu-promoted reaction of β-keto trifluoromethyl amines enabling stereoselective synthesis of trifluoromethylated aziridines.","Organic & biomolecular chemistry","2023","21","24","4988","4992","10.1039/d3ob00714f","","x-ray","0.71073","MoKα","","0.1106","0.0903","","","0.2458","0.2699","","","","","","1.053","","","","has coordinates","284955","2023-07-05","10:48:26",""
"7159390","14.636","0.003","9.854","0.002","16.905","0.003","90","","96.34","0.03","90","","2423.2","0.8","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Yavari, Issa; Mohsenzadeh, Ramin; Ravaghi, Parisa; Safaei, Maryam","Synthesis of pyrrolidin-2-ylidenes and pyrrol-2-ylidenes <i>via</i> 1,3-dipolar cycloaddition of H-bond-assisted azomethine ylides to nitrostyrenes.","Organic & biomolecular chemistry","2023","21","25","5265","5273","10.1039/d3ob00725a","","x-ray","0.71073","MoKα","","0.0627","0.0591","","","0.1577","0.1609","","","","","","1.16","","","","has coordinates","284967","2023-07-05","10:54:56",""
"7159391","8.5856","0.0001","12.1115","0.0001","21.1498","0.0001","90","","90","","90","","2199.25","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N3 O6 S -","- C22 H21 N3 O6 S -","- C88 H84 N12 O24 S4 -","4","1","","Lin, Xing; Zhang, Dajun; Li, Jing; Zhang, Lei","Catalyst- and solvent-free regioselective ring opening of aziridines with amines: application in the gram-scale synthesis of the α,β-diamino propionic derivative, aspergillomarasmine A.","Organic & biomolecular chemistry","2023","21","24","4977","4981","10.1039/d3ob00722g","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0682","0.0683","","","","","","1.041","","","","has coordinates","284958","2023-07-05","10:49:00",""
"7159392","10.3479","0.0003","10.5057","0.0003","11.7663","0.0003","93.409","0.002","114.609","0.003","95.175","0.002","1151.55","0.06","299.07","","299.07","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O5 S -","- C24 H25 N O5 S -","- C48 H50 N2 O10 S2 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.1099","0.0656","","","0.1731","0.2083","","","","","","1.041","","","","has coordinates","284959","2023-07-05","10:49:30",""
"7159393","11.7617","0.0004","21.8252","0.0008","9.9033","0.0003","90","","107.445","0.004","90","","2425.26","0.15","300.7","","300.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O6 -","- C27 H29 N O6 -","- C108 H116 N4 O24 -","4","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.1003","0.0546","","","0.1344","0.1573","","","","","","1.053","","","","has coordinates","284959","2023-07-05","10:49:34",""
"7159394","8.239","0.0002","8.5305","0.0002","12.8575","0.0003","72.914","0.002","83.275","0.002","75.314","0.002","834.67","0.04","297.1","","297.1","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.0538","0.0416","","","0.1079","0.117","","","","","","1.053","","","","has coordinates","284959","2023-07-05","10:49:45",""
"7159395","10.5236","0.0003","11.4554","0.0005","12.9859","0.0004","100.268","0.003","113.577","0.003","98.024","0.003","1372.68","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O3 -","- C36 H28 N2 O3 -","- C72 H56 N4 O6 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.276","0.1228","","","0.2528","0.4444","","","","","","1.042","","","","has coordinates","284959","2023-07-05","10:50:11",""
"7159396","5.7583","0.0002","10.0636","0.0004","12.6561","0.0005","66.988","0.001","86.953","0.001","87.639","0.001","673.93","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl6 F4 N2 O2 -","- C22 H22 Cl6 F4 N2 O2 -","- C22 H22 Cl6 F4 N2 O2 -","1","0.5","","Žabka, Matej; Clayden, Jonathan","Conformational preference in difluoroacetamide oligomers: probing the potential for foldamers with C-H⋯O hydrogen bonds.","Organic & biomolecular chemistry","2023","21","29","5939","5943","10.1039/d3ob00811h","","x-ray","0.71073","MoKα","","0.033","0.03","","","0.0676","0.0693","","","","","","1.032","","","","has coordinates","285496","2023-08-05","09:28:16",""
"7159397","11.1141","0.0004","14.4848","0.0006","20.8204","0.0008","90","","90","","90","","3351.8","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Tian, Guang; Jin, Wei-Li; Qin, Chuanguang; Wang, Jie","Convenient synthesis of <i>N</i>-alkyl-3,1-benzoxazin-2-ones from carbamate protected anthranil aldehydes and ketones <i>via</i> one-step alkylation/alkoxy rearrangement.","Organic & biomolecular chemistry","2023","21","28","5757","5761","10.1039/d3ob00812f","","","0.71073","MoKα","","0.0631","0.0401","","","0.088","0.1033","","","","","","1.043","","","","has coordinates","285507","2023-08-05","09:30:09",""
"7159398","16.649","0.0011","6.3815","0.0005","18.6164","0.0012","90","","95.783","0.002","90","","1967.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Xu, Shiji; Wang, Qiang; Sun, Jing; Han, Ying; Hu, Weiming; Wang, Lei; Yan, Chao-Guo","Pd/Cu-catalyzed cascade Heck-type reactions of alkenyl halides with terminal alkynes toward substituted pyrrolidine analogues.","Organic & biomolecular chemistry","2023","21","28","5742","5746","10.1039/d3ob00740e","","","0.71073","MoKα","","0.0827","0.0479","","","0.1058","0.1214","","","","","","1.04","","","","has coordinates","285506","2023-08-05","09:29:55",""
"7159399","10.3448","0.0006","12.6474","0.0007","13.0332","0.0008","61.943","0.002","71.66","0.002","74.099","0.002","1412.12","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl O3 S2 -","- C32 H35 Cl O3 S2 -","- C64 H70 Cl2 O6 S4 -","2","1","","Singh, Surya Pratap; Arora, Shivani; Bhardwaj, Prashant Kumar; Singh, Anand","Annulation of quinone methides with 2-benzylidene dithiolanes: synthesis of spirochroman dithiolanes.","Organic & biomolecular chemistry","2023","21","24","4962","4966","10.1039/d3ob00583f","","","0.71073","MoKα","","0.0774","0.0542","","","0.1037","0.1166","","","","","","1.108","","","","has coordinates","284651","2023-06-29","13:18:14",""
"7159400","8.2209","0.0003","8.5666","0.0003","13.7435","0.0005","81.561","0.001","75.998","0.001","63.768","0.001","841.53","0.05","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C42 H34 N2 O8 -","2","1","","Sarkar, Anindita; Saha, Moumita; Das, Asish R.","Ru(II) catalyzed chelation assisted C(sp<sup>2</sup>)-H bond functionalization along with concomitant (4 + 2) annulation.","Organic & biomolecular chemistry","2023","21","27","5567","5586","10.1039/d3ob00828b","","","1.54178","CuKα","","0.0528","0.0517","","","0.1378","0.1389","","","","","","1.059","","","","has coordinates","285511","2023-08-05","09:31:06",""
"7159401","8.8223","0.0007","11.0053","0.0008","11.6572","0.0008","111.556","0.003","101.505","0.003","99.774","0.003","994.15","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Sarkar, Anindita; Saha, Moumita; Das, Asish R.","Ru(II) catalyzed chelation assisted C(sp<sup>2</sup>)-H bond functionalization along with concomitant (4 + 2) annulation.","Organic & biomolecular chemistry","2023","21","27","5567","5586","10.1039/d3ob00828b","","","1.54178","CuKα","","0.0733","0.0685","","","0.1927","0.2001","","","","","","1.088","","","","has coordinates","285511","2023-08-05","09:31:06",""
"7159402","18.0446","0.0006","11.8808","0.0004","11.2129","0.0004","90","","94.5198","0.0012","90","","2396.39","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H21 F N4 -","- C34 H21 F N4 -","- C136 H84 F4 N16 -","4","0.5","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0394","0.0377","","","0.1028","0.105","","","","","","1.012","","","","has coordinates","284653","2023-06-29","13:21:59",""
"7159403","4.1687","0.0002","12.4116","0.0007","15.8272","0.0009","68.5349","0.0018","85.512","0.002","81.5452","0.0019","753.56","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C40 H24 Br2 F2 N4 -","2","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0312","0.0298","","","0.0811","0.0825","","","","","","1.079","","","","has coordinates","284653","2023-06-29","13:22:03",""
"7159404","7.3882","0.0002","9.8687","0.0003","21.9346","0.0006","93.6965","0.0006","93.9425","0.0006","101.977","0.0006","1555.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C80 H48 Br4 F4 N8 -","4","2","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0283","0.0271","","","0.0751","0.0758","","","","","","1.046","","","","has coordinates","284653","2023-06-29","13:22:15",""
"7159405","16.4004","0.001","4.9641","0.0003","19.8649","0.0012","90","","107.562","0.0018","90","","1541.88","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-5-fluoro-2,4-diphenylquinazoline","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C80 H48 Br4 F4 N8 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0421","0.0412","","","0.1008","0.1013","","","","","","1.195","","","","has coordinates,has disorder","284653","2023-06-29","13:22:31",""
"7159406","11.6106","0.0002","13.7588","0.0003","17.4536","0.0004","109.387","0.0008","98.5209","0.0008","93.7331","0.0008","2581.46","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H37 F2 N7 -","- C61 H37 F2 N7 -","- C122 H74 F4 N14 -","2","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0459","0.0426","","","0.1093","0.1128","","","","","","1.003","","","","has coordinates","284653","2023-06-29","13:22:33",""
"7159407","16.0104","0.0004","11.8607","0.0003","18.9342","0.0005","90","","102.641","0.0009","90","","3508.35","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H28 F3 N5 -","- C47 H28 F3 N5 -","- C188 H112 F12 N20 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0428","0.0392","","","0.1093","0.1154","","","","","","1.054","","","","has coordinates","284653","2023-06-29","13:22:37",""
"7159408","13.4479","0.0004","14.709","0.0004","23.9088","0.0007","90","","93.8572","0.0013","90","","4718.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9'-(2,4-diphenylquinazolin-5-yl)-9'H-9,3':6',9''-tercarbazole","","- C56 H35 N5 -","- C56 H35 N5 -","- C224 H140 N20 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0608","0.0558","","","0.1716","0.1771","","","","","","1.054","","","","has coordinates","284653","2023-06-29","13:22:52",""
"7159409","25.755","0.003","6.9641","0.0008","8.7584","0.001","90","","94.153","0.004","90","","1566.8","0.3","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H12 F3 N O2 S -","- C17 H12 F3 N O2 S -","- C68 H48 F12 N4 O8 S4 -","4","1","","Wang, Wei; Qin, Zhaoliang; Tan, Ze; Yang, Wen","Organocatalytic enantioselective cross-aldol reaction of aryl ketones with heteroaromatic trifluoromethyl ketone hydrates for the synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","25","5234","5239","10.1039/d3ob00619k","","","0.71073","MoKα","","0.0279","0.0275","","","0.0699","0.0702","","","","","","1.077","","","","has coordinates","284654","2023-06-29","13:24:06",""
"7159410","13.3009","0.0003","11.1099","0.0003","19.7682","0.0005","90","","93.282","0.002","90","","2916.39","0.13","258","","258","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N O4 S -","- C34 H31 N O4 S -","- C136 H124 N4 O16 S4 -","4","1","","Sahoo, Aradhana; Dutta, Shubham; Sahoo, Akhila K.","Two-component symmetrical diarylation of ynamides","Organic & Biomolecular Chemistry","2023","21","28","5737","5741","10.1039/D3OB00793F","","x-ray","0.71073","MoKα","","0.1104","0.0568","","","0.1325","0.166","","","","","","1.02","","","","has coordinates","285505","2023-08-05","09:29:49",""
"7159411","15.0723","0.0004","9.1985","0.0003","16.7522","0.0004","90","","92.202","0.002","90","","2320.85","0.11","297.92","","297.92","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F6 N O4 -","- C25 H17 F6 N O4 -","- C100 H68 F24 N4 O16 -","4","1","","Sahoo, Aradhana; Dutta, Shubham; Sahoo, Akhila K.","Two-component symmetrical diarylation of ynamides","Organic & Biomolecular Chemistry","2023","21","28","5737","5741","10.1039/D3OB00793F","","x-ray","0.71073","MoKα","","0.1091","0.0876","","","0.2657","0.2919","","","","","","1.114","","","","has coordinates","285505","2023-08-05","09:29:49",""
"7159412","8.6585","0.001","6.8558","0.0008","12.0392","0.0014","90","","103.052","0.004","90","","696.2","0.14","149.77","","149.77","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Šlachtová, Veronika; Casaretto, Nicolas; Brulíková, Lucie; Six, Yvan","Bicyclic <i>N</i>-dihalocyclopropylamide derivatives as precursors of nitrogen-containing fused polycyclic systems.","Organic & biomolecular chemistry","2023","21","31","6325","6341","10.1039/d3ob00643c","","","0.71073","MoKα","","0.0631","0.0491","","","0.1262","0.1352","","","","","","1.037","","","","has coordinates,has disorder","286192","2023-09-05","20:23:12",""
"7159413","6.7519","0.0006","15.0413","0.0013","24.732","0.002","90","","90","","90","","2511.7","0.4","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C112 H104 Cl8 N16 O8 -","8","1","","Vaskevych, Alla I.; Savinchuk, Nataliia O.; Vaskevych, Ruslan I.; Shishkina, Svitlana V.; Vovk, Mykhailo V.","Pd-catalyzed oxidative amination of 2-alkenylquinazolin-4(3H)-ones: synthesis of methylene and vinyl derivatives of pyrrolo(pyrido)[2,1-b]quinazolinones","Organic & Biomolecular Chemistry","2023","21","28","5866","5872","10.1039/D3OB00834G","","","0.71073","MoKα","","0.0622","0.0466","","","0.105","0.1169","","","","","","1.087","","","","has coordinates","285508","2023-08-05","09:30:15",""
"7159414","20.0518","0.0004","10.0983","0.0002","10.6704","0.0003","90","","104.628","0.001","90","","2090.6","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-benzylidene-4-(4-methoxyphenyl)-3-(4-(trifluoromethyl)benzyl)oxazolidin-2-one","","- C25 H20 F3 N O3 -","- C25 H20 F3 N O3 -","- C100 H80 F12 N4 O12 -","4","1","","Egashira, Mayumi; Chen, Hsiu-Hui","Highly efficient fixation of carbon dioxide into 2-oxazolidinones under mild conditions by using a reusable ionic liquid/CuI catalyst system.","Organic & biomolecular chemistry","2023","21","26","5377","5381","10.1039/d3ob00698k","","","0.71073","MoKα","","0.0875","0.0571","","","0.1411","0.1651","","","","","","1.03","","","","has coordinates,has disorder","285517","2023-08-05","09:31:59",""
"7159415","11.6847","0.0003","13.9633","0.0003","23.2986","0.0006","90","","90","","90","","3801.33","0.16","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of <i>o</i>-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0525","0.0433","","","0.1405","0.1499","","","","","","1.192","","","","has coordinates","285509","2023-08-05","09:30:24",""
"7159416","9.4331","0.0002","11.3391","0.0002","17.036","0.0003","90","","96.516","0.001","90","","1810.45","0.06","214","","214","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C92 H68 N4 O24 -","4","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of <i>o</i>-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0543","0.0401","","","0.0988","0.1064","","","","","","1.062","","","","has coordinates","285509","2023-08-05","09:30:31",""
"7159417","6.1674","0.0001","28.3059","0.0004","7.817","0.0001","90","","111.001","0.002","90","","1274","0.04","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N2 O7 -","- C27 H38 N2 O7 -","- C54 H76 N4 O14 -","2","1","","Xiao, Wen; Wang, Su-Jing; Yu, Ming-Zhu; Zhang, Xue-Jie; Xiang, Zheng","Chemoenzymatic synthesis of (+)-isoagatholactone, (+)-spongian-16-one, and 3-deoxychavalone A <i>via</i> biocatalytic polyene cyclization.","Organic & biomolecular chemistry","2023","21","27","5527","5531","10.1039/d3ob00206c","","","1.54184","CuKα","","0.0408","0.039","","","0.1066","0.1111","","","","","","1.056","","","","has coordinates","285515","2023-08-05","09:31:28",""
"7159418","19.2","0.002","5.3821","0.0005","32.153","0.004","90","","98.636","0.009","90","","3284.9","0.6","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(R)-5-benzyloxyazepan-2-one","","- C34 H34 N O7 -","- C34 H34 N O7 -","- C136 H136 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54187","CuKα","","0.1303","0.0693","","","0.1842","0.2434","","","","","","0.914","","","","has coordinates","284661","2023-06-29","13:36:57",""
"7159419","33.3058","0.0016","5.5217","0.0003","17.9538","0.0008","90","","106.418","0.002","90","","3167.2","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(S)-5-benzyloxyazepan-2-one","","- C34 H37 N O7 -","- C34 H37 N O7 -","- C136 H148 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54178","CuKα","","0.0582","0.0536","","","0.1439","0.1481","","","","","","1.078","","","","has coordinates","284661","2023-06-29","13:37:26",""
"7159420","5.8957","0.0008","19.877","0.003","20.288","0.003","90","","90","","90","","2377.5","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1253","0.1133","","","0.2653","0.2722","","","","","","1.136","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159421","6.0206","0.0004","18.0652","0.0012","9.4916","0.0007","90","","100.221","0.003","90","","1015.96","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C40 H58 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0355","0.0318","","","0.0769","0.0804","","","","","","1.047","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159422","11.215","0.0012","29.247","0.003","5.8198","0.0007","90","","90","","90","","1908.9","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S2 -","- C18 H23 N O2 S2 -","- C72 H92 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0857","0.0788","","","0.1756","0.1787","","","","","","1.172","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159423","6.0077","0.0003","15.196","0.0007","19.967","0.0012","90","","90","","90","","1822.85","0.17","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 S2 -","- C16 H27 N O2 S2 -","- C64 H108 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0494","0.0354","","","0.0772","0.0865","","","","","","1.106","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159424","5.8356","0.0004","19.1473","0.0011","9.4506","0.0007","90","","98.968","0.004","90","","1043.06","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C44 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1072","0.0734","","","0.1251","0.1377","","","","","","1.149","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159425","5.7979","0.0003","11.3878","0.0006","13.236","0.0007","90","","99.733","0.002","90","","861.33","0.08","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H25 N O2 S2 -","- C15 H25 N O2 S2 -","- C30 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0315","0.0292","","","0.0728","0.0743","","","","","","1.092","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159426","27.661","0.002","5.945","0.0004","12.9885","0.0011","90","","100.737","0.004","90","","2098.5","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C80 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.046","","","0.0976","0.1082","","","","","","0.93","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159427","6.0258","0.0004","17.9919","0.0012","9.501","0.0006","90","","99.556","0.002","90","","1015.76","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 S2 -","- C20 H29 N O3 S2 -","- C40 H58 N2 O6 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0617","0.0437","","","0.0818","0.0907","","","","","","1.068","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159428","9.7251","0.0003","11.3374","0.0003","14.2512","0.0004","90","","90","","90","","1571.3","0.08","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl2 N O Pd S -","- C12 H19 Cl2 N O Pd S -","- C48 H76 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0184","0.0169","","","0.0392","0.0403","","","","","","1.104","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159429","6.309","0.005","13.919","0.01","20.755","0.014","90","","90","","90","","1823","2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1173","0.094","","","0.2358","0.2475","","","","","","1.065","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159430","8.554","0.0004","10.1169","0.0004","16.2154","0.0007","90","","90","","90","","1403.28","0.11","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cl2 N O Pd S -","- C9 H21 Cl2 N O Pd S -","- C36 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.016","0.0151","","","0.0357","0.0362","","","","","","1.08","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159431","8.1116","0.0005","12.0151","0.0007","14.6744","0.0007","90","","90","","90","","1430.19","0.14","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl2 N O Pd S -","- C11 H17 Cl2 N O Pd S -","- C44 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0301","0.0261","","","0.0472","0.0484","","","","","","1.073","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159432","5.8774","0.0005","12.2061","0.0009","24.8164","0.0016","90","","90","","90","","1780.3","0.2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl2 N O Pd S -","- C16 H21 Cl2 N O Pd S -","- C64 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0482","0.0408","","","0.0951","0.1009","","","","","","1.053","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159433","6.0101","0.0003","14.6331","0.0006","19.1993","0.0008","90","","90","","90","","1688.51","0.13","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S2 -","- C13 H29 N O2 S2 -","- C52 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0489","0.0352","","","0.0726","0.0804","","","","","","1.103","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159434","14.1201","0.0003","14.1201","0.0003","19.4225","0.0006","90","","90","","120","","3353.6","0.14","193","2","193","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C108 H150 N6 O18 S12 -","6","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1643","0.1736","","","","","","1.039","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159435","12.6204","0.0008","6.6213","0.0003","22.7235","0.0014","90","","95.562","0.003","90","","1889.91","0.19","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","2","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0713","0.0594","","","0.1306","0.135","","","","","","1.09","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159436","6.148","0.002","13.389","0.004","20.42","0.006","90","","90","","90","","1680.9","0.9","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl2 N O Pd S -","- C14 H15 Cl2 N O Pd S -","- C56 H60 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0836","0.0578","","","0.1222","0.1292","","","","","","1.091","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159437","23.66","0.002","6.1601","0.0006","14.0178","0.0013","90","","112.573","0.002","90","","1886.5","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N5 O6 -","- C19 H19 N5 O6 -","- C76 H76 N20 O24 -","4","1","","Fuchi, Yasufumi; Watanabe, Kouki; Shoji, Misa; Ito, Yuta; Hari, Yoshiyuki","Synthesis of purine derivatives of Me-TaNA and properties of Me-TaNA-modified oligonucleotides.","Organic & biomolecular chemistry","2023","21","25","5203","5213","10.1039/d3ob00745f","","","0.71073","MoKa","","0.0367","0.0365","","","0.0972","0.0974","","","","","","1.029","","","","has coordinates","284663","2023-06-29","13:47:27",""
"7159438","8.1476","0.0005","9.0775","0.0006","27.2326","0.0017","90","","90","","90","","2014.1","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 I2 O3 -","- C23 H16 I2 O3 -","- C92 H64 I8 O12 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.0216","0.019","","","0.0389","0.0403","","","","","","1.056","","","","has coordinates","285510","2023-08-05","09:30:59",""
"7159439","22.3743","0.0007","5.3342","0.0002","13.0665","0.0004","90","","90","","90","","1559.47","0.09","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.052","0.0433","","","0.1005","0.105","","","","","","1.048","","","","has coordinates","285510","2023-08-05","09:31:00",""
"7159440","16.5618","0.0013","9.8374","0.0005","13.4401","0.001","90","","109.596","0.009","90","","2062.9","0.3","293","10","293","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B N2 O3 -","- C25 H21 B N2 O3 -","- C100 H84 B4 N8 O12 -","4","1","","Li, Lin; Ouyang, Hao; Long, Zhiqing; Zhang, Qinpeng; Jiang, Yunqi; Cai, Meng; Xiong, Shenglun; Peng, Sangshan; Xu, Guangyu; He, Qing","A triphenylamine-based fluorescent probe with phenylboronic acid for highly selective detection of Hg<sup>2+</sup> and CH<sub>3</sub>Hg<sup>+</sup> in groundwater.","Organic & biomolecular chemistry","2023","21","27","5560","5566","10.1039/d3ob00183k","","x-ray","1.54184","CuKα","","0.0817","0.0714","","","0.188","0.1939","","","","","","1.113","","","","has coordinates","285513","2023-08-05","09:31:17",""
"7159441","12.3643","0.0004","7.5268","0.0004","31.4217","0.0012","90","","90","","90","","2924.2","0.2","296.71","","296.71","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H26 O4 -","- C40 H26 O4 -","- C160 H104 O16 -","4","1","","Gugulothu, Kishan; Jatoth, Ramanna; Gudipati, Ramakrishna; Rajitha, Nampally; Dandela, Rambabu; Shiva Kumar, K.","Pd-catalyzed homo-coupling of benzofurans: one-pot synthesis of diverse 3,3'-bisbenzofurans.","Organic & biomolecular chemistry","2023","21","27","5587","5591","10.1039/d3ob00658a","","x-ray","0.71073","MoKα","","0.2374","0.1349","","","0.3198","0.4051","","","","","","1.154","","","","has coordinates","285514","2023-08-05","09:31:23",""
"7159442","8.3025","0.0012","9.7428","0.0013","10.8769","0.0013","71.098","0.012","81.271","0.011","71.101","0.012","786.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Saejong, Peerawat; Rojas, Juan J.; Denis, Camille; White, Andrew J. P.; Voisin-Chiret, Anne Sophie; Choi, Chulho; Bull, James A.","Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols.","Organic & biomolecular chemistry","2023","21","27","5553","5559","10.1039/d3ob00731f","","","1.54184","CuKα","","0.0897","0.05","","","0.1105","0.1385","","","","","","1.035","","","","has coordinates","285512","2023-08-05","09:31:12",""
"7159443","10.7892","0.0005","17.3283","0.0006","8.0868","0.0003","90","","110.601","0.004","90","","1415.22","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Saejong, Peerawat; Rojas, Juan J.; Denis, Camille; White, Andrew J. P.; Voisin-Chiret, Anne Sophie; Choi, Chulho; Bull, James A.","Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols.","Organic & biomolecular chemistry","2023","21","27","5553","5559","10.1039/d3ob00731f","","","0.71073","MoKα","","0.0592","0.0429","","","0.0944","0.103","","","","","","1.048","","","","has coordinates","285512","2023-08-05","09:31:12",""
"7159444","7.817","0.003","12.371","0.005","19.295","0.007","90","","90","","90","","1865.9","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Li, Jiani; Feng, Jing; Chen, Tao; Xu, Ze-Feng; Li, Chuan-Ying","Synthesis of 3-aminoquinolines from α-imino rhodium carbenes and 2-aminobenzaldehydes.","Organic & biomolecular chemistry","2023","21","29","5935","5938","10.1039/d3ob00843f","","","0.71073","MoKα","","0.0438","0.0373","","","0.0937","0.0981","","","","","","1.031","","","","has coordinates","285499","2023-08-05","09:28:38",""
"7159445","16.9533","0.0015","7.7548","0.0006","17.8906","0.0015","90","","110.685","0.002","90","","2200.4","0.3","293","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O S4 -","- C20 H26 N2 O S4 -","- C80 H104 N8 O4 S16 -","4","1","","Mondal, Manas; Saha, Debajyoti; Saha, Amit","Metal-free trifunctionalization of phenylacetylenes: an efficient one-pot two-step synthesis of <i>gem</i>-bis(dithiocarbamates).","Organic & biomolecular chemistry","2023","21","29","5924","5928","10.1039/d3ob00712j","","","0.71073","MoKα","","0.1889","0.1652","","","0.2717","0.28","","","","","","1.562","","","","has coordinates","285500","2023-08-05","09:28:44",""
"7159446","10.9325","0.0005","16.9864","0.0007","9.6085","0.0005","90","","108.177","0.005","90","","1695.29","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SKP-02","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Parida, Sushanta Kumar; Joshi, Saurav; Murarka, Sandip","Copper-catalyzed tandem cyclization/arylation of α,β-alkynic hydrazones with diaryliodonium salts: synthesis of <i>N</i>-arylpyrazoles.","Organic & biomolecular chemistry","2023","21","28","5784","5789","10.1039/d3ob00899a","","x-ray","0.71073","MoKα","","0.0437","0.0321","","","0.0986","0.1067","","","","","","0.828","","","","has coordinates","285504","2023-08-05","09:29:41",""
"7159447","9.5218","0.0011","10.047","0.0012","18.931","0.003","90","","90","","90","","1811","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O3 -","- C20 H16 Br N O3 -","- C80 H64 Br4 N4 O12 -","4","1","","Nagesh, Kommu; Manda, Jagadish; Sridhar, B.; Subba Reddy, B. V.","Rh(III)-catalyzed [3 + 2] spiroannulation of 2,3-dihydro-1,4-benzoxazines with 4-hydroxy-2-alkynoates through <i>ortho</i>-C-H bond functionalization.","Organic & biomolecular chemistry","2023","21","30","6169","6173","10.1039/d3ob00786c","","","0.71073","MoKα","","0.0338","0.028","","","0.0707","0.0726","","","","","","1.054","","","","has coordinates","285520","2023-08-05","09:32:47",""
"7159448","8.5755","0.0004","9.8662","0.0005","11.7817","0.0006","94.918","0.001","108.527","0.001","90.485","0.001","941.01","0.08","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C44 H38 N6 O6 -","2","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","1.34138","GaKα","","0.0727","0.0337","","","0.0987","0.1024","","","","","","1.097","","","","has coordinates","285010","2023-07-06","00:43:40",""
"7159449","9.7031","0.0007","10.4099","0.0007","17.796","0.001","90","","95.421","0.002","90","","1789.5","0.2","100","0.2","100","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","0.71073","MoKα","","0.0303","0.0286","","","0.0728","0.074","","","","","","1.048","","","","has coordinates","285010","2023-07-06","00:43:41",""
"7159450","17.893","0.001","7.7491","0.0004","13.6613","0.0007","90","","90.97","0.005","90","","1893.93","0.17","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C14 H9 O -","- C14 H9 O -","- C112 H72 O8 -","8","1","","Qi, Rui; Bai, Tianwen; Tang, Shuwang; Hou, Ming; Zhang, Zhide; Xie, Wenlin; Deng, Yangling; Zhou, Hongwei; Qiu, Guanyinsheng","Solvent-promoted photochemical carbonylation of benzylic C-H bonds under iron catalysis.","Organic & biomolecular chemistry","2023","21","26","5382","5386","10.1039/d3ob00328k","","x-ray","1.54184","CuKα","","0.0759","0.067","","","0.1604","0.1731","","","","","","1.085","","","","has coordinates","285011","2023-07-06","00:45:01",""
"7159451","11.748","0.013","7.359","0.005","21.472","0.014","90","","94.5","0.03","90","","1851","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 F2 N -","- C24 H17 F2 N -","- C96 H68 F8 N4 -","4","1","","Chatterjee, Rana; Bhukta, Swadhapriya; Angajala, Kishore Kumar; Dandela, Rambabu","Copper catalysed oxidative cascade deamination/cyclization of vinyl azide and benzylamine for the synthesis of 2,4,6-triarylpyridines.","Organic & biomolecular chemistry","2023","21","26","5419","5423","10.1039/d3ob00625e","","","0.71073","MoKα","","0.1073","0.0588","","","0.1487","0.2056","","","","","","0.927","","","","has coordinates","285012","2023-07-06","00:45:24",""
"7159452","17.6839","0.0009","11.2101","0.0006","15.0773","0.0007","90","","106.593","0.002","90","","2864.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C124 H136 O16 S4 -","4","1","","Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.","Organic & biomolecular chemistry","2023","21","26","5387","5397","10.1039/d3ob00861d","","","0.71073","MoKα","","0.1352","0.0571","","","0.1314","0.172","","","","","","1.02","","","","has coordinates","285013","2023-07-06","00:46:01",""
"7159453","10.294","0.002","19.579","0.004","17.114","0.003","90","","99.109","0.008","90","","3405.8","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O5 S2 -","- C37 H39 N O5 S2 -","- C148 H156 N4 O20 S8 -","4","1","","Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.","Organic & biomolecular chemistry","2023","21","26","5387","5397","10.1039/d3ob00861d","","","0.71073","MoKα","","0.1265","0.0523","","","0.105","0.1392","","","","","","1.005","","","","has coordinates,has disorder","285013","2023-07-06","00:46:01",""
"7159454","13.7698","0.0007","14.193","0.0005","12.6454","0.0006","90","","108.45","0.005","90","","2344.3","0.2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F2 N2 -","- C29 H29 B F2 N2 -","- C116 H116 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.073","0.0483","","","0.1118","0.1209","","","","","","1.04","","","","has coordinates,has disorder","285014","2023-07-06","00:47:01",""
"7159455","20.9381","0.0005","9.9194","0.0003","11.6477","0.0003","90","","100.414","0.002","90","","2379.3","0.11","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F2 N2 -","- C29 H29 B F2 N2 -","- C116 H116 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0501","0.0423","","","0.1194","0.1238","","","","","","1.06","","","","has coordinates,has disorder","285014","2023-07-06","00:47:02",""
"7159456","7.4073","0.0002","12.8859","0.0003","15.5809","0.0003","90","","95.475","0.002","90","","1480.41","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F2 N2 -","- C20 H13 B F2 N2 -","- C80 H52 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0444","0.0425","","","0.1204","0.1219","","","","","","1.035","","","","has coordinates","285014","2023-07-06","00:47:02",""
"7159457","16.1855","0.0003","11.2431","0.0002","11.9494","0.0002","90","","109.172","0.002","90","","2053.89","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B F2 N3 -","- C24 H26 B F2 N3 -","- C96 H104 B4 F8 N12 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0412","0.0397","","","0.1101","0.111","","","","","","1.045","","","","has coordinates","285014","2023-07-06","00:47:02",""
"7159458","17.7244","0.0008","10.0495","0.0003","12.6371","0.0005","90","","110.399","0.005","90","","2109.78","0.16","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B F2 N3 -","- C24 H26 B F2 N3 -","- C96 H104 B4 F8 N12 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0699","0.0482","","","0.1183","0.1282","","","","","","1.041","","","","has coordinates,has disorder","285014","2023-07-06","00:47:02",""
"7159459","7.2137","0.0005","6.6371","0.0005","20.4802","0.0015","90","","95.575","0.002","90","","975.91","0.12","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","<i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.0736","0.0681","","","0.1838","0.1882","","","","","","1.133","","","","has coordinates","285501","2023-08-05","09:28:57",""
"7159460","12.5684","0.0018","10.8101","0.0019","13.734","0.003","90","","93.963","0.015","90","","1861.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O3 S -","- C20 H28 O3 S -","- C80 H112 O12 S4 -","4","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","<i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.2251","0.0851","","","0.1566","0.2251","","","","","","0.938","","","","has coordinates","285501","2023-08-05","09:29:01",""
"7159461","10.9191","0.0006","15.44","0.0009","21.1104","0.0012","90","","96.9191","0.0016","90","","3533.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 O6 -","- C36 H34 N4 O6 -","- C144 H136 N16 O24 -","4","1","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1679","0.0861","","","0.1978","0.2362","","","","","","1.04","","","","has coordinates","285498","2023-08-05","09:28:32",""
"7159462","11.46","0.002","11.71","0.002","17.019","0.003","93.646","0.006","106.656","0.006","116.853","0.005","1901.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cl N5 O5 -","- C43 H40 Cl N5 O5 -","- C86 H80 Cl2 N10 O10 -","2","1","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1853","0.0867","","","0.134","0.1684","","","","","","1.049","","","","has coordinates","285498","2023-08-05","09:28:32",""
"7159463","8.5237","0.0014","36.249","0.006","20.786","0.004","90","","95.263","0.005","90","","6395.3","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O6 -","- C36 H34 N4 O6 -","- C288 H272 N32 O48 -","8","2","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1902","0.0751","","","0.1475","0.1886","","","","","","1.013","","","","has coordinates","285498","2023-08-05","09:28:32",""
"7159464","5.8721","0.0002","21.5158","0.0007","12.7252","0.0004","90","","98.689","0.003","90","","1589.29","0.09","293","10","293","10","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Wani, Mohmad Muzafar; Rashid, Auqib; Bhat, Bilal A.","A micelle-mediated approach enables facile access to bridged oxabicyclo[<i>n</i>.3.1]alkene scaffolds.","Organic & biomolecular chemistry","2023","21","30","6151","6159","10.1039/d3ob00918a","","x-ray","0.71073","MoKα","","0.1059","0.0607","","","0.176","0.1994","","","","","","1.078","","","","has coordinates","285521","2023-08-05","09:32:52",""
"7159465","15.423","0.003","4.9337","0.0009","11.308","0.002","90","","110.313","0.002","90","","806.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl O -","- C9 H7 Cl O -","- C36 H28 Cl4 O4 -","4","1","","Wang, Miao; Jiang, Shan; Lu, Xin-Xin; Zhang, Kun; Yuan, Zi-Yi; Xu, Rui-Li; Zhao, Bang-Tun; Wu, An-Xin","Synthesis of primary propargylic alcohols from terminal alkynes using rongalite as the C1 unit.","Organic & biomolecular chemistry","2023","21","29","5949","5952","10.1039/d3ob00902e","","","0.71073","MoKα","","0.0675","0.0625","","","0.1976","0.2021","","","","","","1.059","","","","has coordinates,has disorder","285497","2023-08-05","09:28:22",""
"7159466","7.6869","0.0002","5.978","0.0001","10.041","0.0002","90","","95.575","0.002","90","","459.224","0.017","373","2","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br O3 -","- C9 H11 Br O3 -","- C18 H22 Br2 O6 -","2","1","","Ding, Xiao-Bo; Wung, Alexander; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of the spiroimine fragment of portimines A and B.","Organic & biomolecular chemistry","2023","21","29","6008","6017","10.1039/d3ob00998j","","","1.54184","CuKα","","0.0168","0.0167","","","0.0447","0.0447","","","","","","0.977","","","","has coordinates","285502","2023-08-05","09:29:06",""
"7159467","11.3041","0.0009","12.1883","0.001","15.3961","0.0013","73.037","0.002","80.723","0.002","67.275","0.002","1868.6","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 N3 Na O9 Pd -","- C39 H41 N3 Na O9 Pd -","- C78 H82 N6 Na2 O18 Pd2 -","2","1","","García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T","A regioselective synthesis of 3,4-diaryl-1<i>H</i>-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2023","21","30","6205","6217","10.1039/d3ob00753g","","","0.71073","MoKα","","0.0395","0.0363","","","0.1022","0.1047","","","","","","1.067","","","","has coordinates,has disorder","285518","2023-08-05","09:32:35",""
"7159468","9.931","0.0008","11.5257","0.0009","31.731","0.003","90.58","0.003","92.359","0.003","109.744","0.003","3414.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C180 H130 N10 O20 -","10","5","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0907","0.0696","","","0.1597","0.1724","","","","","","1.126","","","","has coordinates,has disorder","285526","2023-08-05","09:33:31",""
"7159469","8.0634","0.001","9.8825","0.0012","10.1049","0.0013","114.137","0.004","98.043","0.005","97.708","0.004","711.1","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl N O2 -","- C18 H12 Cl N O2 -","- C36 H24 Cl2 N2 O4 -","2","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0528","0.0391","","","0.0959","0.1052","","","","","","1.036","","","","has coordinates","285526","2023-08-05","09:33:31",""
"7159470","14.6451","0.0009","6.3929","0.0004","17.5863","0.001","90","","112.361","0.002","90","","1522.7","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0559","0.0447","","","0.1152","0.1252","","","","","","1.021","","","","has coordinates","285526","2023-08-05","09:33:31",""
"7159471","9.4965","0.0012","10.7884","0.0013","15.316","0.002","90","","104.883","0.005","90","","1516.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0491","0.041","","","0.1104","0.1164","","","","","","1.013","","","","has coordinates","285526","2023-08-05","09:33:31",""
"7159472","10.2547","0.0013","6.2786","0.0008","18.091","0.003","90","","100.081","0.005","90","","1146.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0553","0.0458","","","0.1124","0.1202","","","","","","1.036","","","","has coordinates,has disorder","285526","2023-08-05","09:33:31",""
"7159473","7.3664","0.0003","8.4028","0.0003","20.5541","0.001","90","","90","","90","","1272.27","0.09","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic <i>vs.</i> uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0314","0.0311","","","0.0885","0.0888","","","","","","1.082","","","","has coordinates","285523","2023-08-05","09:33:08",""
"7159474","12.4042","0.0004","8.1827","0.0002","12.1889","0.0004","90","","99.91","0.001","90","","1218.71","0.06","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic <i>vs.</i> uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0357","0.035","","","0.0879","0.0886","","","","","","1.029","","","","has coordinates","285523","2023-08-05","09:33:08",""
"7159475","9.466","0.004","16.073","0.006","26.339","0.009","90","","90","","90","","4007","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 N O7 P -","- C47 H44 N O7 P -","- C188 H176 N4 O28 P4 -","4","1","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0634","0.0527","","","0.1346","0.1463","","","","","","1.058","","","","has coordinates","285525","2023-08-05","09:33:22",""
"7159476","10.768","0.003","11.588","0.003","31.149","0.007","90","","98.37","0.02","90","","3845.4","1.7","100","2","100","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C46 H42 N O7 P -","- C46 H42 N O7 P -","- C184 H168 N4 O28 P4 -","4","2","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0478","0.0463","","","0.1197","0.1206","","","","","","1.112","","","","has coordinates","285525","2023-08-05","09:33:22",""
"7159477","10.073","0.001","11.31","0.001","11.486","0.001","75.83","0.01","81.71","0.01","80.98","0.01","1245.4","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","2","","Gaware, Sujeet; Chatterjee, Rana; Kapdi, Anant R.; Dandela, Rambabu","Copper-catalysed chemoselective C-OH bond activation of <i>N</i>-benzoyl cytosine: facile access to 2-(dimethylamino)pyrimidine.","Organic & biomolecular chemistry","2023","21","29","5944","5948","10.1039/d3ob00659j","","","0.71073","MoKα","","0.1733","0.0797","","","0.196","0.272","","","","","","1.065","","","","has coordinates","285495","2023-08-05","09:28:02",""
"7159478","49.6825","0.0009","6.41808","0.00012","13.263","0.0002","90","","95.324","0.007","90","","4210.88","0.14","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H38 O -","- C26 H37 O -","- C208 H296 O8 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1219","0.0912","","","0.2112","0.2313","","","","","","1.043","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159479","13.3948","0.0003","6.5207","0.00014","13.5565","0.0003","90","","111.239","0.008","90","","1103.65","0.07","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O -","- C27 H40 O -","- C54 H80 O2 -","2","1","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.0969","0.0712","","","0.1478","0.1608","","","","","","1.041","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159480","11.4265","0.0002","14.3062","0.0003","27.604","0.0005","90","","90","","90","","4512.42","0.15","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O2 -","- C27 H40 O2 -","- C216 H320 O16 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1002","0.0594","","","0.1282","0.1519","","","","","","1.037","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159481","11.1261","0.0007","7.8636","0.0005","25.4825","0.0016","90","","90","","90","","2229.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N3 O -","- C12 H8 Cl N3 O -","- C96 H64 Cl8 N24 O8 -","8","1","","Zhu, Chen; Zhou, Jubao; Li, Tianxing; Yang, Jiaxin; Jin, Hui; Zhang, Lixin","Access to 2-pyridinones comprising enaminonitriles <i>via</i> AgOAc promoted cascade reactions of thioesters with aminomethylene malononitriles.","Organic & biomolecular chemistry","2023","21","34","6881","6885","10.1039/d3ob00915g","","","0.71073","MoKα","","0.1099","0.0533","","","0.1111","0.1385","","","","","","1.049","","","","has coordinates","286194","2023-09-05","20:23:35",""
"7159482","8.98207","0.00019","13.3543","0.0003","29.0314","0.0005","90","","90","","90","","3482.29","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C144 H120 F8 N16 O40 -","8","2","","Wu, Ruoran; Chen, Peng; Chai, Yu; Zhou, Junyu; Ou, Jianhua; Min, Yan; Wang, Haoting; Liang, Guojuan; Zhang, Dong; Zhou, Jing; Zhou, Hui","High diastereo- and enantioselective Michael addition of 3-acetoxy-2-oxindoles with nitroalkenes catalyzed by nickel/PyBisulidine.","Organic & biomolecular chemistry","2023","21","30","6225","6229","10.1039/d3ob01024d","","x-ray","1.54184","CuKα","","0.0587","0.0473","","","0.1165","0.1288","","","","","","1.043","","","","has coordinates","285519","2023-08-05","09:32:41",""
"7159483","9.0366","0.0006","9.9845","0.0006","12.3996","0.0008","93.071","0.002","104.114","0.002","110.062","0.0017","1007.52","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N O2 S -","- C26 H15 N O2 S -","- C52 H30 N2 O4 S2 -","2","1","","Reddy, Chada Raji; Ajaykumar, Uprety; Patil, Amol D.; Ramesh, Remya","<i>ipso</i>-Cyclization of unactivated biaryl ynones leading to thio-functionalized spirocyclic enones.","Organic & biomolecular chemistry","2023","21","31","6379","6388","10.1039/d3ob00974b","","","0.71073","MoKα","","0.0719","0.0526","","","0.1515","0.1709","","","","","","1.14","","","","has coordinates","286191","2023-09-05","20:23:06",""
"7159484","11.679","0.002","15.814","0.003","13.357","0.003","90","","101.12","0.03","90","","2420.6","0.9","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O5 -","- C30 H22 N2 O5 -","- C120 H88 N8 O20 -","4","1","","Alizadeh, Abdolali; Rostampoor, Azar","Base-promoted synthesis of dihydrochromeno[4,3-<i>d</i>]pyrrolo[3,4-<i>b</i>]pyridines from 4-chloro-3-substituted coumarins and α-aminomaleimides.","Organic & biomolecular chemistry","2023","21","30","6160","6168","10.1039/d3ob00632h","","","0.71073","MoKα","","0.0628","0.0536","","","0.1211","0.1262","","","","","","1.128","","","","has coordinates","285524","2023-08-05","09:33:14",""
"7159485","23.599","0.0006","23.599","0.0006","10.4104","0.0004","90","","90","","120","","5020.9","0.3","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H23 F3 N2 O4 -","- C16 H23 F3 N2 O4 -","- C144 H207 F27 N18 O36 -","9","1","","Ghosh, Arun K.; Yadav, Monika","Synthesis of optically active SARS-CoV-2 Mpro inhibitor drug nirmatrelvir (Paxlovid): an approved treatment of COVID-19.","Organic & biomolecular chemistry","2023","21","28","5768","5774","10.1039/d3ob00653k","","","1.54178","CuKα","","0.0262","0.0258","","","0.0692","0.0695","","","","","","1.063","","","","has coordinates,has disorder","285292","2023-07-20","00:52:13",""
"7159486","6.911","0.002","20.066","0.007","11.124","0.004","90","","106.903","0.015","90","","1476","0.9","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N7 O10 -","- C10 H5 N7 O10 -","- C40 H20 N28 O40 -","4","1","","Pandey, Krishna; Bhatia, Prachi; Mohammad, Khwaja; Ghule, Vikas D.; Kumar, Dheeraj","Polynitro-functionalized 4-phenyl-1<i>H</i>-pyrazoles as heat-resistant explosives.","Organic & biomolecular chemistry","2023","21","32","6604","6616","10.1039/d3ob00949a","","","0.71073","MoKα","","0.0647","0.0478","","","0.1454","0.1557","","","","","","0.923","","","","has coordinates","286180","2023-09-05","20:21:13",""
"7159487","13.2504","0.0007","22.4474","0.0012","7.5543","0.0004","90","","96.148","0.001","90","","2234","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N15 O13 -","- C13 H15 N15 O13 -","- C52 H60 N60 O52 -","4","1","","Pandey, Krishna; Bhatia, Prachi; Mohammad, Khwaja; Ghule, Vikas D.; Kumar, Dheeraj","Polynitro-functionalized 4-phenyl-1<i>H</i>-pyrazoles as heat-resistant explosives.","Organic & biomolecular chemistry","2023","21","32","6604","6616","10.1039/d3ob00949a","","","0.71073","MoKα","","0.0561","0.0459","","","0.1099","0.1164","","","","","","1.038","","","","has coordinates","286180","2023-09-05","20:21:13",""
"7159488","15.0786","0.0004","21.5444","0.0007","7.8455","0.0002","90","","93.189","0.002","90","","2544.74","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N O3 S -","- C30 H37 N O3 S -","- C120 H148 N4 O12 S4 -","4","1","","Kratena, Nicolas; Weil, Matthias; Gärtner, Peter","A biomimetic approach for the concise total synthesis of greenwaylactams A-C.","Organic & biomolecular chemistry","2023","21","31","6317","6319","10.1039/d3ob01001e","","","1.54186","CuKα","","0.059","0.0423","","","0.0957","0.1043","","","","","","1.051","","","","has coordinates","286190","2023-09-05","20:23:01",""
"7159489","19.1728","0.0005","12.7276","0.0003","19.2357","0.0006","90","","117.121","0.004","90","","4177.8","0.2","299","1","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O5 -","- C24 H23 N3 O5 -","- C192 H184 N24 O40 -","8","1","","Wang, Maorui; Zhang, Min","Diastereoselective construction of carbo-bridged polyheterocycles by a three-component tandem annulation reaction.","Organic & biomolecular chemistry","2023","21","31","6342","6347","10.1039/d3ob01013a","","x-ray","1.54184","CuKα","","0.0521","0.0447","","","0.1203","0.1249","","","","","","1.061","","","","has coordinates","286189","2023-09-05","20:22:55",""
"7159490","10.3471","0.0007","11.5677","0.0008","12.0428","0.0007","83.169","0.005","72.223","0.006","71.119","0.006","1298.42","0.16","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C62 H54 N2 O8 S2 -","2","1","","Cai, Lu-Yu; Song, Xiu-Qing; Wang, Kuo; Zhang, Yue; Zhao, Hong-Wu","Pd-catalyzed decarboxylative 1,4-addition reactions of benzofuran-based azadienes with allyl phenyl carbonates.","Organic & biomolecular chemistry","2023","21","32","6556","6564","10.1039/d3ob00968h","","x-ray","0.71073","MoKα","","0.1322","0.0761","","","0.183","0.2166","","","","","","1.042","","","","has coordinates","286181","2023-09-05","20:21:18",""
"7159491","21.1418","0.0011","6.3999","0.0003","27.776","0.0013","90","","96.557","0.004","90","","3733.7","0.3","285","2","285","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 F2 O3 S -","- C19 H20 F2 O3 S -","- C152 H160 F16 O24 S8 -","8","1","","Ishu, Km; Prabhakar, Neha Sharma; Singh, Krishna Nand","A regioselective synthesis of β-difluoromethoxy vinyl sulfones <i>via O</i>-difluoromethylation of β-ketosulfones using sodium chlorodifluoroacetate.","Organic & biomolecular chemistry","2023","21","32","6588","6594","10.1039/d3ob01142a","","","1.54184","CuKα","","0.1546","0.106","","","0.2711","0.3195","","","","","","1.044","","","","has coordinates","286789","2023-10-06","00:44:57",""
"7159492","6.0743","0.0001","7.2917","0.0001","12.6835","0.0002","90","","100.602","0.001","90","","552.187","0.015","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H13 N -","- C16 H13 N -","- C32 H26 N2 -","2","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0294","0.0292","","","0.08","0.0801","","","","","","1.09","","","","has coordinates","286793","2023-10-06","00:46:26",""
"7159493","6.1473","0.0001","7.4004","0.0001","24.669","0.0003","90","","90","","90","","1122.25","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0266","0.026","","","0.0664","0.0666","","","","","","1.04","","","","has coordinates","286793","2023-10-06","00:46:37",""
"7159494","12.0705","0.0002","7.4759","0.0001","26.1572","0.0004","90","","97.409","0.001","90","","2340.66","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","2","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0833","0.0473","","","0.1201","0.1289","","","","","","1.059","","","","has coordinates","286793","2023-10-06","00:46:39",""
"7159495","5.7924","0.0003","11.1413","0.0005","12.024","0.0006","110.796","0.002","90.433","0.002","91.711","0.002","724.95","0.06","150","2","150","","","","","","","","","5","P 1","P 1","1","","","","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","1","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I<sub>2</sub>-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","0.71073","MoKα","","0.0597","0.0526","","","0.1352","0.1408","","","","","","1.112","","","","has coordinates","286179","2023-09-05","20:21:06",""
"7159496","23.6452","0.0006","12.0393","0.0003","24.3383","0.0006","90","","93.136","0.002","90","","6918","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl6 N O9 -","- C31 H25 Cl6 N O9 -","- C248 H200 Cl48 N8 O72 -","8","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I<sub>2</sub>-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","1.54178","CuKα","","0.1224","0.0892","","","0.2709","0.3066","","","","","","1.08","","","","has coordinates","286179","2023-09-05","20:21:06",""
"7159497","11.7949","0.0005","10.0157","0.0004","20.5833","0.0011","90","","90.996","0.002","90","","2431.22","0.19","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H88 F12 N16 O4 -","- C120 H84 F12 N16 O4 -","- C120 H84 F12 N16 O4 -","1","0.25","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","0.71073","MoKα","","0.1268","0.0616","","","0.1212","0.1525","","","","","","1.017","","","","has coordinates","286186","2023-09-05","20:22:00",""
"7159498","9.946","0.005","32.16","0.02","11.104","0.006","90","","110.73","0.016","90","","3322","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C160 H148 Cl4 N8 O8 -","- C160 H148 Cl4 N8 O8 -","- C160 H148 Cl4 N8 O8 -","1","0.25","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","0.71073","MoKα","","0.2231","0.0863","","","0.1941","0.2777","","","","","","1.015","","","","has coordinates","286186","2023-09-05","20:22:00",""
"7159499","10.8858","0.0002","12.1164","0.0002","12.8017","0.0003","90.79","0.001","90.401","0.001","108.749","0.001","1598.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N3 O2 -","- C41 H37 N3 O2 -","- C82 H74 N6 O4 -","2","1","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","1.54178","CuKα","","0.0469","0.0414","","","0.112","0.1157","","","","","","1.056","","","","has coordinates","286186","2023-09-05","20:22:00",""
"7159500","8.4142","0.0002","25.3815","0.0004","8.4387","0.0002","90","","119.088","0.003","90","","1574.91","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F3 O3 Se -","- C16 H15 F3 O3 Se -","- C64 H60 F12 O12 Se4 -","4","1","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.0778","0.0767","","","0.1803","0.1807","","","","","","1.257","","","","has coordinates","286188","2023-09-05","20:22:12",""
"7159501","7.1991","0.0001","14.1649","0.0002","12.8571","0.0002","90","","90.327","0.001","90","","1311.08","0.03","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O4 Se2 -","- C12 H8 N2 O4 Se2 -","- C48 H32 N8 O16 Se8 -","4","0.5","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0817","0.0824","","","","","","1.04","","","","has coordinates","286188","2023-09-05","20:22:13",""
"7159502","14.6406","0.0009","4.3593","0.0003","23.6861","0.0019","90","","104.016","0.008","90","","1466.71","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 Se -","- C16 H15 N O3 Se -","- C64 H60 N4 O12 Se4 -","4","1","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.0925","0.0709","","","0.1714","0.1883","","","","","","1.076","","","","has coordinates","286188","2023-09-05","20:22:13",""
"7159503","9.2466","0.0007","11.7371","0.0008","33.379","0.003","90","","90","","90","","3622.6","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","1","","Borade, Somnath Arjun; Naharwal, Sushma; Bhambri, Himanshi; Mandal, Sanjay K.; Bajaj, Kiran; Chitkara, Deepak; Sakhuja, Rajeev","Synthesis of modified bile acids <i>via</i> palladium-catalyzed C(sp<sup>3</sup>)-H (hetero)arylation.","Organic & biomolecular chemistry","2023","21","33","6719","6729","10.1039/d3ob00916e","","","0.71073","MoKα","","0.0701","0.0446","","","0.0924","0.1021","","","","","","1.024","","","","has coordinates","286184","2023-09-05","20:21:46",""
"7159504","10.4551","0.0008","10.5908","0.0007","14.0367","0.0009","97.348","0.005","110.905","0.007","92.79","0.006","1432.54","0.19","120.01","0.1","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N4 O2 -","- C32 H44 N4 O2 -","- C64 H88 N8 O4 -","2","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.0851","0.0523","","","0.1109","0.1265","","","","","","1.046","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159505","16.5102","0.0009","12.6105","0.0006","20.3179","0.0011","90","","102.428","0.0019","90","","4131.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N6 O4 -","- C48 H50 N6 O4 -","- C192 H200 N24 O16 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71073","MoKα","","0.0983","0.0503","","","0.1125","0.1311","","","","","","1.031","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159506","18.0787","0.0009","18.1527","0.0005","22.8772","0.0012","90","","108.69","0.005","90","","7111.9","0.6","120.01","0.1","120.01","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C74 H118 Cl2 N10 O5 -","- C74 H118 Cl2 N10 O5 -","- C296 H472 Cl8 N40 O20 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.1019","0.0954","","","0.2272","0.2306","","","","","","1.144","","","","has coordinates,has disorder","286178","2023-09-05","20:20:57",""
"7159507","8.9833","0.0006","8.8691","0.0005","22.8632","0.0013","90","","95.4001","0.0018","90","","1813.51","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71073","MoKα","","0.0662","0.049","","","0.1255","0.1365","","","","","","1.048","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159508","34.488","0.0003","34.488","0.0003","10.2956","0.0001","90","","90","","90","","12245.8","0.19","120.01","0.1","120.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H46 N4 O2.25 -","- C33 H46 N4 O2.25 -","- C528 H736 N64 O36 -","16","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.0623","0.0559","","","0.1681","0.177","","","","","","1.032","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159509","10.3501","0.0003","14.2207","0.0003","33.7063","0.0011","90","","98.456","0.003","90","","4907.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H59 N9 O4 -","- C54 H59 N9 O4 -","- C216 H236 N36 O16 -","4","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71075","MoKα","","0.1161","0.0829","","","0.2049","0.2188","","","","","","1.147","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159510","11.2988","0.0004","29.2753","0.0007","8.8713","0.0003","90","","108.177","0.004","90","","2787.98","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Fe N2 O8 -","- C27 H37 Fe N2 O8 -","- C108 H148 Fe4 N8 O32 -","4","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","0.71073","MoKα","","0.0639","0.0399","","","0.0871","0.095","","","","","","1.047","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159511","33.115","0.007","8.069","0.0016","23.502","0.005","90","","128.93","0.03","90","","4885","3","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Fe N2 O6 -","- C26 H31 Fe N2 O6 -","- C208 H248 Fe8 N16 O48 -","8","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","","0.71073","Synchrotron","","0.0516","0.0466","","","0.1262","0.1313","","","","","","1.07","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159512","7.3197","0.0001","7.1491","0.0001","10.908","0.0002","90","","96.041","0.002","90","","567.638","0.015","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","1.54184","CuKα","","0.0366","0.0355","","","0.0937","0.0951","","","","","","1.064","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159513","9.35425","0.00016","11.58392","0.00018","21.9396","0.0003","90","","93.5438","0.0015","90","","2372.8","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C100 H136 O16 Si4 -","4","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","0.71073","MoKα","","0.1132","0.0555","","","0.1349","0.1572","","","","","","1.024","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159514","7.424","0.0003","8.9236","0.0004","14.0704","0.0006","104.564","0.004","99.048","0.003","94.974","0.004","883.16","0.07","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","ethyl (E)-3-(2-(dimethylamino)-2-oxoethyl)-5,5-dimethyl-4-((methylthio)methyl)hex-2-enoate","","- C16 H29 N O3 S -","- C16 H29 N O3 S -","- C32 H58 N2 O6 S2 -","2","1","","García-Castro, Miguel; Moya-Utrera, Federico; Sarabia, Francisco","Transition metal-free [2,3]-sigmatropic rearrangement in the reaction of sulfur ylides with allenoates.","Organic & biomolecular chemistry","2023","21","30","6096","6102","10.1039/d3ob00657c","","x-ray","1.54184","CuKα","","0.0766","0.0653","","","0.1702","0.1783","","","","","","1.08","","","","has coordinates","285434","2023-08-03","00:47:53",""
"7159515","11.3533","0.0002","5.068","0.0001","13.1835","0.0002","90","","101.957","0.002","90","","742.1","0.02","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C36 H26 N2 O6 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0369","0.0329","","","0.0854","0.0893","","","","","","1.052","","","","has coordinates","286195","2023-09-05","20:23:41",""
"7159516","12.1758","0.0003","5.3402","0.0001","21.8778","0.0006","90","","101.147","0.003","90","","1395.68","0.06","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H20 Cl4 N2 O2 -","- C30 H20 Cl4 N2 O2 -","- C60 H40 Cl8 N4 O4 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1139","0.1205","","","","","","1.045","","","","has coordinates","286195","2023-09-05","20:23:41",""
"7159517","10.3685","0.0001","10.752","0.0001","15.8732","0.0001","90","","99.443","0.001","90","","1745.6","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","2","","Wang, Xilong; Luo, Yu; Zhao, Jiaji; Luo, Shuang","CPA-catalyzed asymmetric domino thia-Michael/aldol reactions for simultaneous chiral center and axial chirality formation.","Organic & biomolecular chemistry","2023","21","33","6697","6701","10.1039/d3ob01087b","","x-ray","1.54184","CuKα","","0.0385","0.0373","","","0.0998","0.1008","","","","","","1.126","","","","has coordinates","286185","2023-09-05","20:21:52",""
"7159518","5.4603","0.0002","20.5881","0.0009","12.9406","0.0006","90","","93.864","0.002","90","","1451.44","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","2","","Zhao, Jianbo; Wu, Min; Luo, Jiamin; Shi, Lei; Li, Hao","N-Heterocyclic carbene-catalyzed enantioselective annulation of 2-amino-1<i>H</i>-indoles and bromoenals for the synthesis of chiral 2-aryl-2,3-dihydropyrimido[1,2-<i>a</i>]indol-4 (1<i>H</i>)-ones.","Organic & biomolecular chemistry","2023","21","33","6675","6680","10.1039/d3ob01006f","","","1.54178","CuKα","","0.0812","0.0644","","","0.1718","0.1932","","","","","","1.053","","","","has coordinates","286187","2023-09-05","20:22:06",""
"7159519","14.1324","0.0005","8.3919","0.0003","11.1269","0.0004","90","","103.587","0.001","90","","1282.69","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)pyridine","","- C15 H12 Cl N3 -","- C15 H12 Cl N3 -","- C60 H48 Cl4 N12 -","4","1","","García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T","A regioselective synthesis of 3,4-diaryl-1<i>H</i>-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2023","21","30","6205","6217","10.1039/d3ob00753g","","","0.71073","MoKα","","0.0323","0.0304","","","0.0845","0.0861","","","","","","1.07","","","","has coordinates","285447","2023-08-04","20:15:35",""
"7159520","11.754","0.0004","13.704","0.0004","18.2969","0.0005","90","","90","","90","","2947.21","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 F3 N2 O2 -","- C6 H5 F3 N2 O2 -","- C96 H80 F48 N32 O32 -","16","4","","Coufal, Radek; Tošner, Zdeněk; Drahoňovský, Dušan; Vohlídal, Jiří","Hemiacetal-based dynamic systems: a new mechanistic insight.","Organic & biomolecular chemistry","2023","21","34","6956","6968","10.1039/d3ob00668a","","","0.71073","MoKα","","0.0357","0.0304","","","0.0701","0.0728","","","","","","1.023","","","","has coordinates","286196","2023-09-05","20:23:49",""
"7159521","8.4072","0.0012","9.8706","0.0014","13.707","0.002","106.49","0.005","93.08","0.005","94.165","0.005","1084.5","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H37 N5 O2 -","- C21 H37 N5 O2 -","- C42 H74 N10 O4 -","2","1","","Wagh, Mahendra A.; Shinde, Dinesh R.; Gamidi, Rama Krishna; Sanjayan, Gangadhar J.","2-Amino-5-methylene-pyrimidine-4,6-dione-based Janus G-C nucleobase as a versatile building block for self-assembly.","Organic & biomolecular chemistry","2023","21","34","6914","6918","10.1039/d3ob01174g","","","0.71073","MoKα","","0.1215","0.0892","","","0.2274","0.255","","","","","","1.069","","","","has coordinates,has disorder","286801","2023-10-06","00:47:44",""
"7159522","6.22994","0.00011","10.4767","0.00016","24.3448","0.0004","90","","90","","90","","1588.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Wei, Jiangchun; Li, Zhiyue; Shan, Min; Wu, Fengzhi; Li, Limin; Ma, Yucui; Wu, Junhong; Li, Xinping; Liu, Yaqian; Hu, Zhengxi; Zhang, Yonghui; Wu, Zhengzhi","Discovery of two <i>ent</i>-atisane diterpenoid lactones with AChE inhibitory activity from the roots of <i>Euphorbia fischeriana</i>.","Organic & biomolecular chemistry","2023","21","34","6949","6955","10.1039/d3ob01007d","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0739","0.0744","","","","","","1.089","","","","has coordinates","286193","2023-09-05","20:23:27",""
"7159523","8.3871","0.0011","16.0084","0.0017","19.711","0.0019","90","","106.856","0.003","90","","2532.8","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl I N2 O4 S -","- C25 H22 Cl I N2 O4 S -","- C100 H88 Cl4 I4 N8 O16 S4 -","4","1","","Jiang, Dong-Fang; Qi, Zhenjie; Li, Dengfeng; Wen, Si-Miaomiao; Liu, Zhao; Hao, Wen-Juan; Jiang, Bo","PhI(OAc)<sub>2</sub>-mediated aminoacyloxylation of β,γ-unsaturated hydrazones using Togni reagent II as an acyloxyl precursor.","Organic & biomolecular chemistry","2023","21","33","6757","6761","10.1039/d3ob01125a","","","1.54178","CuKα","","0.1158","0.0628","","","0.0996","0.1209","","","","","","1.018","","","","has coordinates","286790","2023-10-06","00:45:13",""
"7159524","21.044","0.0012","5.1578","0.0003","19.5025","0.0011","90","","119.164","0.002","90","","1848.46","0.19","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","IISRX02RT","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0452","0.0417","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","286796","2023-10-06","00:47:09",""
"7159525","5.4848","0.0003","11.8755","0.0007","32.4602","0.0019","90","","90","","90","","2114.3","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","II_SR_XRD_03_RT_2","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0793","0.0726","","","0.2032","0.2141","","","","","","1.091","","","","has coordinates","286796","2023-10-06","00:47:09",""
"7159526","10.3827","0.0003","15.5971","0.0004","19.3486","0.0006","68.486","0.003","74.716","0.003","88.134","0.002","2804.72","0.16","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C60.5 H50.5 Cl4.5 N9 O6 -","- C60.5 H50.5 Cl4.5 N9 O6 -","- C121 H101 Cl9 N18 O12 -","2","2","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54178","CuKα","","0.0661","0.0627","","","0.1733","0.1767","","","","","","1.016","","","","has coordinates,has disorder","286809","2023-10-06","00:48:53",""
"7159527","4.7704","0.0002","9.7654","0.0004","26.4117","0.0012","90","","90","","90","","1230.39","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54184","CuKα","","0.0403","0.0388","","","0.0969","0.0982","","","","","","1.061","","","","has coordinates","286809","2023-10-06","00:48:53",""
"7159528","9.668","0.0001","16.949","0.0002","30.1249","0.0004","90","","90","","90","","4936.35","0.1","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H29 N O6 -","- C28 H29 N O6 -","- C224 H232 N8 O48 -","8","1","","Li, Wenhui; Lin, Jianying; Huang, Shuangping; Liu, Qiang; Wei, Wenlong; Li, Xing","Cycloaddition of <i>N</i>-arylnitrones with donor-acceptor oxiranes <i>via</i> C-C bond cleavage to construct 1,5,2-dioxazinanes.","Organic & biomolecular chemistry","2023","21","33","6778","6782","10.1039/d3ob00375b","","x-ray","1.54184","CuKα","","0.0542","0.0484","","","0.1281","0.1331","","","","","","1.055","","","","has coordinates","286183","2023-09-05","20:21:39",""
"7159529","11.7405","0.0007","11.7405","0.0007","16.9107","0.0015","90","","90","","90","","2331","0.3","298","2","298","","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.0895","0.058","","","0.1527","0.1722","","","","","","1.017","","","","has coordinates","286798","2023-10-06","00:47:26",""
"7159530","9.8337","0.001","10.0674","0.001","11.425","0.0011","70.975","0.003","81.134","0.003","85.203","0.003","1055.84","0.18","272","","272","","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","1","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.1034","0.0663","","","0.1356","0.1498","","","","","","1.037","","","","has coordinates,has disorder","286798","2023-10-06","00:47:27",""
"7159531","9.941","0.003","15.496","0.004","10.942","0.003","90","","95.198","0.003","90","","1678.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Wang, Jiao-Mei; Zhao, Yu; Li, Wen-Ping; Kong, Xiang-Jun; Yao, Chang-Sheng; Zhang, Kai","Synthesis of tetracyclic dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine-fused β-lactams <i>via</i> visible-light-induced Staudinger annulation.","Organic & biomolecular chemistry","2023","21","35","7106","7114","10.1039/d3ob01078c","","","0.71073","MoKα","","0.0704","0.05","","","0.1257","0.1404","","","","","","1.033","","","","has coordinates","286797","2023-10-06","00:47:20",""
"7159532","13.9007","0.0014","8.9383","0.0008","16.3695","0.0016","90","","100.127","0.003","90","","2002.2","0.3","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26.57 H22.71 O2 -","- C26.569 H22.707 O2 -","- C106.276 H90.828 O8 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1456","0.0771","","","0.2323","0.279","","","","","","1.071","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159533","9.722","0.005","12.02","0.006","16.073","0.006","90","","90","","90","","1878.3","1.5","273","2","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1723","0.0596","","","0.1217","0.1623","","","","","","0.96","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159534","14.118","0.003","10.404","0.003","18.151","0.004","90","","101.378","0.009","90","","2613.7","1.1","299","2","299","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.069","0.0454","","","0.1049","0.1173","","","","","","1.029","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159535","9.7342","0.0007","12.3271","0.0009","21.0097","0.0015","98.273","0.002","95.45","0.002","104.946","0.002","2387.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","2","","Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian","Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.","Organic & biomolecular chemistry","2023","21","36","7327","7338","10.1039/d3ob01068f","","","0.71073","MoKα","","0.1215","0.0641","","","0.1422","0.1715","","","","","","1.009","","","","has coordinates,has disorder","286792","2023-10-06","00:46:14",""
"7159536","14.441","0.004","4.9171","0.0015","25.385","0.007","90","","103.485","0.009","90","","1752.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C92 H80 O8 S4 -","4","1","","Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian","Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.","Organic & biomolecular chemistry","2023","21","36","7327","7338","10.1039/d3ob01068f","","","0.71073","MoKα","","0.1519","0.0772","","","0.1856","0.2386","","","","","","1.002","","","","has coordinates","286792","2023-10-06","00:46:14",""
"7159537","10.448","0.009","11.226","0.009","14.378","0.012","111.204","0.017","98.515","0.018","95.224","0.019","1536","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H46 O2 -","- C35 H46 O2 -","- C70 H92 O4 -","2","1","","Wang, Kunpeng; Li, Jingping; Zhang, Haoxiang; Chen, Yan; Li, Mengfan; Xu, Junju; Liao, Benren; Yi, Weiyin","DMSO-promoted direct δ-selective arylation of <i>p</i>-quinone methenylpiperidine bearinides to generate fuchsones under metal-free conditions by employing <i>p</i>-QMs themselves or substituted phenols as aryl sources.","Organic & biomolecular chemistry","2023","21","35","7151","7157","10.1039/d3ob01018j","","","0.71073","MoKα","","0.2475","0.0965","","","0.2324","0.2933","","","","","","1.035","","","","has coordinates,has disorder","286799","2023-10-06","00:47:32",""
"7159538","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Lobanova, Natal'ya A.; Ushakov, Igor A.; Bagryanskaya, Irina Yu; Trofimov, Boris A.","Rapid, room-temperature self-organization of polyarylated 1<i>H</i>-pyrroles from acetylenes and nitriles in the KOBu<sup><i>t</i></sup>/DMSO system.","Organic & biomolecular chemistry","2023","21","35","7209","7218","10.1039/d3ob01311a","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286800","2023-10-06","00:47:37",""
"7159539","8.2694","0.00012","11.01204","0.00019","12.41759","0.00017","66.2311","0.0015","74.671","0.0013","76.7962","0.0014","988.49","0.03","99.95","0.16","99.95","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0373","0.0354","","","0.0922","0.0935","","","","","","1.035","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159540","11.6926","0.0001","11.7439","0.0001","13.5914","0.0001","90","","97.317","0.001","90","","1851.13","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0406","0.039","","","0.1034","0.105","","","","","","1.031","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159541","19.5566","0.0002","9.6517","0.0001","21.0321","0.0002","90","","95.94","0.001","90","","3948.59","0.07","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 N5 O5 -","- C19 H23 N5 O5 -","- C152 H184 N40 O40 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0567","0.0562","","","0.1258","0.126","","","","","","1.285","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01",""
"7159542","10.0344","0.0001","10.7052","0.0001","11.2666","0.0001","70.496","0.001","89.354","0.001","79.094","0.001","1118.45","0.02","99.97","0.1","99.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N3 O5 S -","- C24 H29 N3 O5 S -","- C48 H58 N6 O10 S2 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0335","0.0333","","","0.0898","0.09","","","","","","1.051","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01",""
"7159543","9.1768","0.0003","9.47","0.0003","21.5491","0.0008","90","","90","","90","","1872.71","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","0.71073","MoKα","","0.0367","0.0332","","","0.086","0.0889","","","","","","1.062","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159544","9.8084","0.0001","14.3535","0.0001","12.2463","0.0001","90","","108.403","0.001","90","","1635.92","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0377","0.0369","","","0.0938","0.0944","","","","","","1.061","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159545","19.321","0.0002","7.16745","0.00008","20.949","0.0003","90","","110.033","0.0014","90","","2725.53","0.06","100","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C120 H128 N16 O24 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","1.54184","CuKα","","0.0481","0.0413","","","0.1061","0.1108","","","","","","1.054","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159546","13.407","0.002","7.2877","0.0013","9.884","0.0017","90","","90","","90","","965.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 F O2 S -","- C9 H11 F O2 S -","- C36 H44 F4 O8 S4 -","4","0.5","","Ma, Yuyang; Pan, Qijun; Ou, Caiyun; Cai, Yinxia; Ma, Xiaoyu; Liu, Chao","Aryl sulfonyl fluoride synthesis <i>via</i> organophotocatalytic fluorosulfonylation of diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","37","7597","7601","10.1039/d3ob01200j","","","0.71073","MoKα","","0.0471","0.0402","","","0.1178","0.1253","","","","","","1.114","","","","has coordinates,has disorder","286784","2023-10-06","00:44:20",""
"7159547","11.3559","0.0004","8.1137","0.0002","16.0334","0.0004","90","","101.324","0.003","90","","1448.53","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Peng, Rui-Jun; Chen, Yuan; Zhang, Xue-Jing; Yan, Ming","Regioselective <i>ortho</i> C-H insertion of <i>N</i>-nitrosoanilines with naphthoquinone carbenes.","Organic & biomolecular chemistry","2023","21","37","7525","7529","10.1039/d3ob01104f","","x-ray","1.54184","CuKα","","0.0483","0.0429","","","0.1177","0.1226","","","","","","1.079","","","","has coordinates","286786","2023-10-06","00:44:32",""
"7159548","8.1543","0.0002","10.425","0.0002","12.7925","0.0003","66.467","0.001","77.14","0.001","80.707","0.001","968.81","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Br4 N2 O6 S2 -","- C34 H30 Br4 N2 O6 S2 -","- C34 H30 Br4 N2 O6 S2 -","1","0.5","","Ren, Hai; Wang, Rui-An; Shi, Jun; Song, Jun-Rong; Wu, Wei; Chi, Qin; Zhang, Ni","Electrochemical bromocyclization enables 3,5-diversification of heterocyclic indolines.","Organic & biomolecular chemistry","2023","21","36","7290","7294","10.1039/d3ob00985h","","","1.54178","CuKα","","0.0485","0.041","","","0.1077","0.113","","","","","","1.056","","","","has coordinates","286794","2023-10-06","00:46:49",""
"7159549","11.5249","0.0009","11.4884","0.001","22.947","0.003","90","","98.346","0.008","90","","3006.1","0.5","114.85","0.1","114.85","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.071","0.0551","","","0.1118","0.1253","","","","","","1.023","","","","has coordinates","286788","2023-10-06","00:44:46",""
"7159550","8.3944","0.0005","10.9479","0.0008","15.5175","0.0009","76.896","0.006","86.581","0.005","70.851","0.006","1311.92","0.16","118.25","0.1","118.25","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O6 -","- C29 H26 N4 O6 -","- C58 H52 N8 O12 -","2","1","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.1261","0.0764","","","0.1665","0.2052","","","","","","1.021","","","","has coordinates","286788","2023-10-06","00:44:46",""
"7159551","8.9695","0.0004","10.9993","0.0005","11.5562","0.0005","62.1699","0.001","79.6611","0.001","79.0306","0.001","984.41","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O8 -","- C44 H46 N2 O8 -","- C44 H46 N2 O8 -","1","0.5","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","","0.71073","MoKα","","0.0653","0.0474","","","0.1074","0.1208","","","","","","1.052","","","","has coordinates,has disorder","286807","2023-10-06","00:48:37",""
"7159552","11.2566","0.0002","5.4186","0.0001","18.4668","0.0003","90","","92.997","0.001","90","","1124.84","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","0.5","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","x-ray","1.54184","CuKα","","0.0466","0.0441","","","0.1203","0.1223","","","","","","1.1","","","","has coordinates","286807","2023-10-06","00:48:37",""
"7159553","11.6766","0.0003","15.178","0.0004","12.1389","0.0003","90","","104.95","0.002","90","","2078.53","0.09","99.9","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","","1.54184","CuKα","","0.0707","0.0655","","","0.174","0.1776","","","","","","1.044","","","","has coordinates,has disorder","286807","2023-10-06","00:48:37",""
"7159554","7.3422","0.0016","14.469","0.003","13.051","0.003","90","","102.207","0.007","90","","1355.1","0.5","273","","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 S6 -","- C32 H24 S6 -","- C64 H48 S12 -","2","0.5","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.1023","0.0551","","","0.1449","0.1724","","","","","","1.025","","","","has coordinates","286808","2023-10-06","00:48:45",""
"7159555","5.446","0.003","12.775","0.006","22.985","0.01","76.667","0.015","88.76","0.015","81.168","0.015","1537.4","1.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S6 -","- C36 H30 S6 -","- C72 H60 S12 -","2","1","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.2341","0.08","","","0.1615","0.2278","","","","","","0.885","","","","has coordinates","286808","2023-10-06","00:48:46",""
"7159556","23.035","0.004","4.0257","0.0006","23.664","0.004","90","","114.896","0.004","90","","1990.5","0.6","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 S4 -","- C24 H20 S4 -","- C96 H80 S16 -","4","0.5","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.0682","0.0401","","","0.088","0.0989","","","","","","1.022","","","","has coordinates","286808","2023-10-06","00:48:46",""
"7159557","15.595","0.006","17.734","0.007","17.811","0.007","90","","108.212","0.009","90","","4679","3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H20 S4 -","- C84 H20 S4 -","- C336 H80 S16 -","4","1","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.2907","0.0938","","","0.182","0.2646","","","","","","0.971","","","","has coordinates","286808","2023-10-06","00:48:46",""
"7159558","27.6191","0.0012","9.9208","0.0005","20.1969","0.0008","90","","120.649","0.002","90","","4761","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C200 H232 N8 O24 -","8","1","","Winge, Tobias; Schepmann, Dirk; Schmidt, Judith; Daniliuc, Constantin; Würthwein, Ernst-Ulrich; Wünsch, Bernhard","Diastereoselective synthesis and structure-affinity relationships of <i>σ</i><sub>1</sub> receptor ligands with spirocyclic scaffold.","Organic & biomolecular chemistry","2023","21","38","7730","7752","10.1039/d3ob01169k","","x-ray","1.54178","CuKα","","0.075","0.05","","","0.113","0.1257","","","","","","1.033","","","","has coordinates","286804","2023-10-06","00:48:13",""
"7159559","9.8436","0.0004","18.806","0.0007","18.806","0.0007","90","","90","","90","","3481.3","0.2","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ukaji 6","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of <i>C</i>,<i>N</i>-cyclic-<i>N</i>'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0369","0.0347","","","0.0853","0.0871","","","","","","1.038","","","","has coordinates","287415","2023-11-06","08:21:55",""
"7159560","4.9174","0.0003","16.0704","0.0009","11.619","0.0007","90","","90.199","0.003","90","","918.18","0.09","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ukaji 4a","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C40 H40 N8 O6 -","2","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of <i>C</i>,<i>N</i>-cyclic-<i>N</i>'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0573","0.0562","","","0.1587","0.1597","","","","","","1.075","","","","has coordinates,has disorder","287415","2023-11-06","08:21:58",""
"7159561","27.15","0.05","9.961","0.016","8.81","0.015","90","","90.85","0.04","90","","2382","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Fan, Yongbo; Xu, Shengting; Cai, Xinxin; Hou, Zhijing; Chen, Tianxiang; Fu, Guozhang; Zhu, Zhongzhi; Chen, Xiuwen","Bifunctionalization of styrene through ring-opening-recombination strategy of phenylpropathiazole salt.","Organic & biomolecular chemistry","2023","21","37","7593","7596","10.1039/d3ob01271a","","","0.71073","MoKα","","0.1734","0.0789","","","0.1554","0.1893","","","","","","1.052","","","","has coordinates","286787","2023-10-06","00:44:39",""
"7159562","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Xie, Xin; Huang, He; Fan, Yu; Luo, Yuan; Pang, Qiwen; Li, Xiang; Huang, Wei","Assembly of spirocyclic pyrazolone-pyrrolo[4,3,2-<i>de</i>]quinoline skeleton <i>via</i> cascade [1,5] hydride transfer/cyclization by C(sp<sup>3</sup>)-H functionalization.","Organic & biomolecular chemistry","2023","21","36","7300","7304","10.1039/d3ob01063e","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286791","2023-10-06","00:46:06",""
"7159563","24.2499","0.0008","8.8129","0.0003","20.6678","0.0006","90","","108.763","0.001","90","","4182.2","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C208 H192 O24 -","8","2","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of <i>ortho</i>-carbonylarylacetylenols for the synthesis of cyclopenta[<i>a</i>]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","0.71073","MoKα","K-L~3~","0.0931","0.0577","","","0.1306","0.1503","","","","","","1.054","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59",""
"7159564","8.9346","0.0005","10.7463","0.0006","11.7878","0.0006","67.915","0.002","80.436","0.002","65.89","0.001","957.15","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 Cl O2 -","- C26 H21 Cl O2 -","- C52 H42 Cl2 O4 -","2","1","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of <i>ortho</i>-carbonylarylacetylenols for the synthesis of cyclopenta[<i>a</i>]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","1.54178","CuKα","K-L~3~","0.0434","0.0429","","","0.12","0.1204","","","","","","1.089","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59",""
"7159565","8.672","0.002","10.126","0.003","12.865","0.004","80.213","0.01","76.589","0.009","67.977","0.009","1014.4","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","1","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of <i>ortho</i>-carbonylarylacetylenols for the synthesis of cyclopenta[<i>a</i>]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","0.71073","MoKα","K-L~3~","0.0917","0.0732","","","0.1588","0.1683","","","","","","1.099","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59",""
"7159566","16.4838","0.0004","11.3226","0.0003","8.5334","0.0002","90","","98.046","0.001","90","","1576.99","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl O2 -","- C19 H15 Cl O2 -","- C76 H60 Cl4 O8 -","4","1","","Sreenivasulu, Gottam; Sridhar, Balasubramanian; Karunakar, Galla V.","Dual gold-catalyzed regioselective synthesis of benzofulvenes <i>via</i> 5-<i>endo dig</i> cyclization.","Organic & biomolecular chemistry","2023","21","38","7799","7807","10.1039/d3ob01079a","","","0.71073","MoKα","","0.0953","0.046","","","0.1168","0.1462","","","","","","1.018","","","","has coordinates","286806","2023-10-06","00:48:29",""
"7159567","20.6627","0.0008","5.9304","0.0002","23.2569","0.0009","90","","114.236","0.001","90","","2598.68","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Hao, Liqiang; Wang, Zhichao; Wang, Yangyang; Yang, Zhaoziyuan; Liu, Xian; Xu, Xiaobo; Ji, Yafei","Synthesis of pyrazoles from sulfonyl hydrazone and benzyl acrylate under transition-metal-free conditions.","Organic & biomolecular chemistry","2023","21","37","7611","7615","10.1039/d3ob01172k","","","1.54178","CuKα","","0.0463","0.037","","","0.0944","0.0968","","","","","","1.098","","","","has coordinates,has disorder","286785","2023-10-06","00:44:26",""
"7159568","10.264","0.003","8.475","0.002","22.934","0.006","90","","94.71","0.03","90","","1988.2","0.9","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 S2 -","- C22 H20 O3 S2 -","- C88 H80 O12 S8 -","4","1","","Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang","Trace water in a BF<sub>3</sub>·OEt<sub>2</sub> system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2023","21","38","7776","7781","10.1039/d3ob01249b","","x-ray","0.71073","MoKα","","0.1266","0.0718","","","0.136","0.1606","","","","","","1.062","","","","has coordinates","286805","2023-10-06","00:48:19",""
"7159569","8.4367","0.0009","10.2011","0.0007","24.4853","0.0015","101.895","0.006","92.033","0.007","91.343","0.007","2059.7","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F O3 S2 -","- C22 H19 F O3 S2 -","- C88 H76 F4 O12 S8 -","4","2","","Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang","Trace water in a BF<sub>3</sub>·OEt<sub>2</sub> system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2023","21","38","7776","7781","10.1039/d3ob01249b","","x-ray","0.71073","MoKα","","0.0999","0.0614","","","0.114","0.133","","","","","","1.057","","","","has coordinates","286805","2023-10-06","00:48:19",""
"7159570","7.7599","0.0008","11.1126","0.0009","24.7491","0.0014","82.51","0.006","83.524","0.007","69.585","0.009","1977.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 I2 N4 Se2 -","- C44 H46 I2 N4 Se2 -","- C88 H92 I4 N8 Se4 -","2","1","","Mondal, Iswar Chandra; Rawat, Priya; Galkin, Maksym; Deka, Snata; Karmakar, Anirban; Mondal, Prosenjit; Ghosh, Subrata","Julolidine-based small molecular probes for fluorescence imaging of RNA in live cells.","Organic & biomolecular chemistry","2023","21","38","7831","7840","10.1039/d3ob01314f","","","1.54184","CuKα","","0.0594","0.0504","","","0.1304","0.142","","","","","","0.972","","","","has coordinates","286803","2023-10-06","00:48:01",""
"7159571","7.6612","0.0003","8.6533","0.0003","8.7731","0.0003","107.81","0.0012","94.3444","0.0013","95.6658","0.0013","547.57","0.03","180","","180","","","","","","","","","5","P -1","-P 1","2","","1-(perfluoroethyl)-1H-indole-2-carboxylic acid","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C22 H12 F10 N2 O4 -","2","1","","Bakhanovich, Olga; Klepetářová, Blanka; Beier, Petr","Rhodium(II)-catalyzed transannulation approach to <i>N</i>-fluoroalkylated indoles.","Organic & biomolecular chemistry","2023","21","39","7924","7927","10.1039/d3ob01415k","","x-ray","1.54178","CuKα","","0.0438","0.0438","","0.0555","0.0555","0.0555","","","","","","1.0102","","","","has coordinates","287414","2023-11-06","08:21:35",""
"7159572","8.8519","0.0009","9.9144","0.0011","12.8442","0.0014","108.28","0.001","93.063","0.001","108.366","0.001","1001.21","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0474","0.0415","","","0.1137","0.1201","","","","","","1.057","","","","has coordinates","287418","2023-11-06","08:22:51",""
"7159573","11.023","0.004","14.004","0.006","13.233","0.005","90","","114.61","","90","","1857.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0762","0.0441","","","0.0802","0.0854","","","","","","0.968","","","","has coordinates","287418","2023-11-06","08:22:53",""
"7159574","9.81","0.007","10.948","0.008","11.015","0.008","61.711","0.008","82.606","0.009","76.072","0.009","1010.9","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C48 H44 N8 O2 -","2","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0578","0.0482","","","0.132","0.142","","","","","","1.04","","","","has coordinates","287418","2023-11-06","08:22:58",""
"7159575","8.09","0.004","11.34","0.006","15.677","0.008","73.356","0.017","87.625","0.016","79.487","0.017","1354.7","1.2","188","","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 N4 O5 S -","- C31 H20 N4 O5 S -","- C62 H40 N8 O10 S2 -","2","1","","Banik, Dipanjan; Karak, Anirban; Halder, Satyajit; Banerjee, Shilpita; Mandal, Moumi; Maiti, Anwesha; Jana, Kuladip; Mahapatra, Ajit Kumar","A turn-on fluorescent probe for selective detection of H<sub>2</sub>S in environmental samples and bio-imaging in human breast cancer cells.","Organic & biomolecular chemistry","2023","21","39","8020","8030","10.1039/d3ob01319g","","","0.71073","MoKα","","0.0929","0.0711","","","0.2105","0.242","","","","","","1.008","","","","has coordinates","287417","2023-11-06","08:22:35",""
"7159576","6.1315","0.0004","10.338","0.0007","23.2076","0.0016","90","","90","","90","","1471.07","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","1","","Teo, Hong Kang; Sae-Lao, Patcharaporn; Bates, Roderick W.","Confirmation of the structure of (±)-preisomide by total synthesis.","Organic & biomolecular chemistry","2023","21","39","7954","7959","10.1039/d3ob01250f","","","1.54178","CuKα","","0.032","0.0315","","","0.0889","0.0892","","","","","","1.534","","","","has coordinates","287416","2023-11-06","08:22:16",""
"7159577","10.1865","0.0003","8.189","0.00017","19.2034","0.0004","90","","96.644","0.002","90","","1591.14","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 S2 -","- C17 H26 S2 -","- C68 H104 S8 -","4","1","","Degroote, Frederick; Denoo, Bram; Ryckaert, Bram; Callebaut, Brenda; Van Hecke, Kristof; Hullaert, Jan; Winne, Johan M.","Dithioallyl cation (3 + 2) cycloadditions under aprotic reaction conditions: rapid access to spiro-fused cyclopentane scaffolds.","Organic & biomolecular chemistry","2023","21","40","8117","8124","10.1039/d3ob01273e","","x-ray","1.54184","CuKα","","0.0317","0.0295","","","0.079","0.081","","","","","","1.05","","","","has coordinates","287419","2023-11-06","08:23:29",""
"7159578","9.22","0.003","27.478","0.009","8.339","0.003","90","","118.518","0.011","90","","1856.3","1.1","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H16 Br N O6 -","- C17 H16 Br N O6 -","- C68 H64 Br4 N4 O24 -","4","1","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.0622","0.0398","","","0.0831","0.0926","","","","","","1.033","","","","has coordinates","287407","2023-11-06","08:19:46",""
"7159579","9.065","0.002","14.72","0.003","31.665","0.009","102.672","0.011","97.28","0.012","94.451","0.007","4064.8","1.7","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O8 -","- C19 H21 N O8 -","- C152 H168 N8 O64 -","8","4","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.1931","0.111","","","0.2854","0.3516","","","","","","1.049","","","","has coordinates,has disorder","287407","2023-11-06","08:19:46",""
"7159580","10.1369","0.0007","11.3965","0.0008","15.5049","0.0011","90","","98.344","0.007","90","","1772.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui","Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.","Organic & biomolecular chemistry","2023","21","41","8273","8278","10.1039/d3ob01354e","","x-ray","0.71073","MoKα","","0.0711","0.0512","","","0.1366","0.1496","","","","","","1.072","","","","has coordinates","287403","2023-11-06","08:18:11",""
"7159581","11.0203","0.0006","12.3994","0.0006","13.7932","0.0008","90","","110.799","0.006","90","","1761.95","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui","Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.","Organic & biomolecular chemistry","2023","21","41","8273","8278","10.1039/d3ob01354e","","x-ray","0.71073","MoKα","","0.0767","0.0564","","","0.1754","0.192","","","","","","1.055","","","","has coordinates","287403","2023-11-06","08:18:18",""
"7159582","13.9327","0.0003","11.0108","0.0003","19.2787","0.0004","90","","103.663","0.002","90","","2873.86","0.12","300.89","0.1","300.89","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N4 -","- C36 H36 N4 -","- C144 H144 N16 -","4","1","","Zhang, Yi-Fan; Chen, Han-Nan; Xiao, Yi; Cui, Zhencun; Wang, Wei David; Xu, Guo-Qiang","Organic photoredox catalyzed C(sp<sup>3</sup>)-H functionalization of saturated aza-heterocycles <i>via</i> a cross-dehydrogenative coupling reaction.","Organic & biomolecular chemistry","2023","21","41","8284","8288","10.1039/d3ob01438j","","x-ray","1.54184","CuKα","","0.0566","0.0406","","","0.1128","0.1229","","","","","","1.055","","","","has coordinates","287405","2023-11-06","08:19:17",""
"7159583","5.8727","0.0002","9.1764","0.0003","15.6457","0.0005","76.228","0.001","82.963","0.001","83.75","0.001","809.96","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Br O4 -","- C18 H15 Br O4 -","- C36 H30 Br2 O8 -","2","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0304","0.0292","","","0.0685","0.0693","","","","","","1.063","","","","has coordinates","287404","2023-11-06","08:18:45",""
"7159584","8.7254","0.0005","11.1393","0.0006","12.4388","0.0007","85.519","0.002","73.196","0.002","87.607","0.002","1153.59","0.11","294","2","294","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br N O5 -","- C26 H20 Br N O5 -","- C52 H40 Br2 N2 O10 -","2","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0431","0.038","","","0.0916","0.0955","","","","","","1.058","","","","has coordinates","287404","2023-11-06","08:18:52",""
"7159585","15.6014","0.0004","16.7367","0.0004","17.4153","0.0004","90","","90","","90","","4547.41","0.19","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0575","0.0463","","","0.1213","0.1305","","","","","","1.059","","","","has coordinates","287404","2023-11-06","08:18:55",""
"7159586","7.7332","0.0003","8.4891","0.0004","24.0949","0.0009","90","","95.619","0.002","90","","1574.18","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","relB82 - 17ECA001","","","- C32 H47 N O5 Si -","- C32 H47 N O5 Si -","- C64 H94 N2 O10 Si2 -","2","1","","Reza, David; Balo, Rosalino; Otero, José M; Fletcher, Ai M.; García-Fandino, Rebeca; Sánchez-Pedregal, Víctor M; Davies, Stephen G.; Estévez, Ramón J; Estévez, Juan C","β-Peptides incorporating polyhydroxylated cyclohexane β-amino acid: synthesis and conformational study.","Organic & biomolecular chemistry","2023","21","42","8535","8547","10.1039/d3ob00906h","","","0.71073","MoKα","","0.051","0.0424","","","0.0817","0.0849","","","","","","1.052","","","","has coordinates","287411","2023-11-06","08:21:09",""
"7159587","8.0778","0.0005","20.7672","0.0014","11.4161","0.0008","90","","98.705","0.005","90","","1893","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Kahar, Nilesh M.; Jadhav, Pankaj P.; Dawande, Sudam G.","Rhodium(II)-catalyzed synthesis of 2-aminoquinoline derivatives from 2-quinolones and <i>N</i>-sulfonyl-1,2,3-triazoles.","Organic & biomolecular chemistry","2023","21","41","8267","8272","10.1039/d3ob00971h","","x-ray","0.71073","MoKα","","0.0839","0.0523","","","0.1103","0.1216","","","","","","1.05","","","","has coordinates","287406","2023-11-06","08:19:29",""
"7159588","10.1642","0.0002","11.1077","0.0002","12.6071","0.0002","67.633","0.002","85.524","0.001","70.287","0.002","1237.05","0.05","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl N2 O4 S -","- C27 H25 Cl N2 O4 S -","- C54 H50 Cl2 N4 O8 S2 -","2","1","","Rao, Han-Wen; Zhao, Tian-Lan; Wang, Long; Deng, Hong-Dan; Zhang, Yan-Ping; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed decarboxylative α-allylation of thiazolidinones and azlactones with sulfonamido-substituted acyclic allylic carbonates.","Organic & biomolecular chemistry","2023","21","42","8593","8602","10.1039/d3ob01404e","","x-ray","1.54184","CuKα","","0.0373","0.0365","","","0.0976","0.0982","","","","","","1.05","","","","has coordinates","287412","2023-11-06","08:21:18",""
"7159589","6.0452","0.0003","10.044","0.0005","9.6566","0.0004","90","","90.901","0.002","90","","586.26","0.05","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0386","0.0369","","","0.0915","0.0936","","","","","","1.057","","","","has coordinates","288873","2024-01-06","09:28:59",""
"7159590","7.2587","0.0002","11.3133","0.0003","15.3314","0.0004","90","","90","","90","","1259.01","0.06","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C56 H56 Cl4 N4 O12 -","4","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0307","0.0298","","","0.0761","0.0769","","","","","","1.086","","","","has coordinates","288873","2024-01-06","09:29:11",""
"7159591","13.6163","0.0017","9.1345","0.0007","17.6","0.005","90","","108.01","0.02","90","","2081.8","0.7","291.5","0.4","291.5","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O2 S -","- C23 H20 F3 N O2 S -","- C92 H80 F12 N4 O8 S4 -","4","1","","Wu, Hao-Zeng; Teng, Zhong-Shan; Ke, Yu-Xin; Zou, Yu; Gao, Ping; Li, Yue; Zhou, Cheng-He; Zang, Zhong-Lin","Electrochemical trifluoroalkylation/annulation for the synthesis of CF<sub>3</sub>-functionalized tetrahydroquinolines and dihydroquinolinones.","Organic & biomolecular chemistry","2023","21","42","8579","8583","10.1039/d3ob00987d","","x-ray","1.54184","CuKα","","0.1919","0.1724","","","0.4238","0.4494","","","","","","1.635","","","","has coordinates","287409","2023-11-06","08:20:42",""
"7159592","9.7989","0.0014","15.076","0.002","15.426","0.002","89.51","0.005","83.259","0.004","86.852","0.004","2259.7","0.5","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 F12 O2 S4 -","- C46 H36 F12 O2 S4 -","- C92 H72 F24 O4 S8 -","2","1","","Koga, Akihiro; Matsuda, Maki; Tanaka, Rin; Endo, Minami; Yamada, Yasunori; Hanamoto, Takeshi","Highly regio- and stereocontrolled preparation of α-(trifluoromethyl)-β-(phenylthio) enamines by the hydroamination of <i>in situ</i>-synthesized 1-(trifluoromethyl)-2-(phenylthio)ethyne.","Organic & biomolecular chemistry","2023","21","42","8528","8534","10.1039/d3ob01473h","","","0.71075","MoKα","","0.0564","0.048","","","0.1298","0.137","","","","","","1.072","","","","has coordinates","287408","2023-11-06","08:20:21",""
"7159593","16.4271","0.0003","9.6289","0.0002","12.6774","0.0002","90","","96.421","0.002","90","","1992.67","0.06","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N3 O2 -","- C22 H33 N3 O2 -","- C88 H132 N12 O8 -","4","1","","Doi, Tomoya; Umedera, Kohei; Miura, Kazuki; Morita, Taiki; Nakamura, Hiroyuki","Synthesis of the diazatricycloundecane scaffold <i>via</i> gold(I)-catalysed Conia-ene-type 5-<i>exo-dig</i> cyclization and stepwise substituent assembly for the construction of an sp<sup>3</sup>-rich compound library.","Organic & biomolecular chemistry","2023","21","43","8716","8726","10.1039/d3ob01534c","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1175","0.1213","","","","","","1.069","","","","has coordinates","288871","2024-01-06","09:28:12",""
"7159594","10.5598","0.0005","10.2814","0.0004","15.2307","0.0006","90","","108.978","0.001","90","","1563.71","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0443","0.037","","","0.1003","0.1084","","","","","","1.087","","","","has coordinates","288870","2024-01-06","09:26:46",""
"7159595","8.0568","0.0009","10.5478","0.0011","23.068","0.003","90","","90","","90","","1960.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17.6 H12 Br0.8 N1.6 O4 -","- C17.6 H12 Br0.8 N1.6 O4 -","- C88 H60 Br4 N8 O20 -","5","1.25","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0824","0.0604","","","0.1451","0.1592","","","","","","1.044","","","","has coordinates","288870","2024-01-06","09:26:58",""
"7159596","7.11","0.002","7.857","0.003","11.773","0.004","82.026","0.013","79.905","0.013","85.894","0.013","640.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.1764","0.0652","","","0.1617","0.2081","","","","","","1.026","","","","has coordinates","288870","2024-01-06","09:27:10",""
"7159597","5.315","0.002","14.209","0.003","22.732","0.005","90.03","0.03","91.78","0.03","90","0.03","1715.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H56 Br4 N4 O12 -","- C84 H56 Br4 N4 O12 -","- C84 H56 Br4 N4 O12 -","1","0.25","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0579","0.0386","","","0.0752","0.0816","","","","","","1.022","","","","has coordinates","288870","2024-01-06","09:27:25",""
"7159598","6.384","0.004","11.473","0.005","11.661","0.006","75.635","0.012","88.166","0.016","74.104","0.013","795.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C42 H30 N2 O6 -","2","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0681","0.0509","","","0.1452","0.1628","","","","","","1.076","","","","has coordinates","288870","2024-01-06","09:27:39",""
"7159599","10.047","0.0008","4.9832","0.0004","11.8477","0.001","90","","104.242","0.002","90","","574.94","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C24 H24 N8 O4 -","2","1","","Arandhara, Pallav Jyoti; Behera, Bipin Kumar; Biswas, Subhamoy; Saikia, Anil K.","Synthesis of 1,2,3-triazole-fused N-heterocycles from <i>N</i>-alkynyl hydroxyisoindolinones and sodium azide <i>via</i> the Huisgen reaction.","Organic & biomolecular chemistry","2023","21","43","8772","8781","10.1039/d3ob01498c","","","0.71073","MoKα","","0.0405","0.0357","","","0.102","0.1103","","","","","","0.715","","","","has coordinates","288872","2024-01-06","09:28:43",""
"7159600","7.8488","0.0002","9.8954","0.0003","12.1031","0.0004","68.423","0.003","74.665","0.003","77.346","0.003","835.2","0.05","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C42 H32 N8 O2 -","2","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0395","0.0368","","","0.0961","0.098","","","","","","1.067","","","","has coordinates","288867","2024-01-06","09:24:49",""
"7159601","9.1169","0.0001","12.313","0.0001","14.8526","0.0001","90","","94.19","0.001","90","","1662.84","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C84 H64 N16 O4 -","4","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0358","0.0345","","","0.0881","0.0891","","","","","","1.061","","","","has coordinates","288867","2024-01-06","09:25:00",""
"7159602","10.93403","0.0001","21.4604","0.0002","7.91748","0.00008","90","","105.128","0.0009","90","","1793.45","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N4 -","- C22 H17 Cl N4 -","- C88 H68 Cl4 N16 -","4","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0486","0.047","","","0.1328","0.1348","","","","","","1.084","","","","has coordinates","288867","2024-01-06","09:25:04",""
"7159603","6.45921","0.00012","15.75","0.0003","21.1734","0.0004","90","","90","","90","","2154.02","0.07","113","1","113","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N6 O2 -","- C26 H26 N6 O2 -","- C104 H104 N24 O8 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0914","0.0926","","","","","","1.078","","","","has coordinates","288868","2024-01-06","09:25:39",""
"7159604","12.4988","0.0003","7.09306","0.00015","13.9973","0.0003","90","","102.543","0.002","90","","1211.31","0.05","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl N3 O1.5 -","- C12 H15 Cl N3 O1.5 -","- C48 H60 Cl4 N12 O6 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0734","0.0739","","","","","","1.073","","","","has coordinates","288868","2024-01-06","09:25:47",""
"7159605","16.2851","0.0013","5.2346","0.0004","18.9492","0.0016","90","","112.304","0.01","90","","1494.5","0.2","120","1","120","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0636","0.0514","","","0.1298","0.139","","","","","","1.043","","","","has coordinates","288868","2024-01-06","09:25:50",""
"7159606","10.8649","0.0007","8.9005","0.0005","11.386","0.0007","90","","91.427","0.004","90","","1100.72","0.12","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S2 -","- C10 H11 N O2 S2 -","- C40 H44 N4 O8 S8 -","4","1","","Tiwari, Shubham; Chandrashekharappa, Sandeep; Gururaja, Guddeangadi N.","Nucleophilic sulfur controlled efficient ketothioamide synthesis from tribromomethyl carbinols.","Organic & biomolecular chemistry","2023","21","42","8563","8572","10.1039/d3ob01416a","","","0.71073","MoKα","","0.0616","0.0419","","","0.1012","0.1162","","","","","","1.062","","","","has coordinates","287413","2023-11-06","08:21:28",""
"7159607","11.7255","0.0002","19.0167","0.0004","8.3652","0.00018","90","","105.134","0.002","90","","1800.58","0.06","295.77","0.1","295.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","","Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun","Synthesis of 3(2<i>H</i>)-furanone derivatives: <i>p</i>-TsOH/halotrimethylsilane promoted cycloketonization of <i>γ</i>-hydroxyl ynones.","Organic & biomolecular chemistry","2023","21","43","8744","8748","10.1039/d3ob01500a","","x-ray","1.54184","CuKα","","0.0529","0.0488","","","0.13","0.1331","","","","","","1.066","","","","has coordinates","288869","2024-01-06","09:26:15",""
"7159608","11.4368","0.0003","6.67839","0.00014","22.2255","0.0006","90","","91.647","0.002","90","","1696.87","0.07","303.93","0.1","303.93","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun","Synthesis of 3(2<i>H</i>)-furanone derivatives: <i>p</i>-TsOH/halotrimethylsilane promoted cycloketonization of <i>γ</i>-hydroxyl ynones.","Organic & biomolecular chemistry","2023","21","43","8744","8748","10.1039/d3ob01500a","","x-ray","1.54184","CuKα","","0.0497","0.0422","","","0.1139","0.1196","","","","","","1.067","","","","has coordinates","288869","2024-01-06","09:26:24",""
"7159609","7.415","0.004","10.967","0.005","15.805","0.007","90","","99.819","0.017","90","","1266.4","1.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","0.71073","","","0.0958","0.0514","","","0.1024","0.1174","","","","","","0.997","","","","has coordinates","288889","2024-01-06","09:39:53",""
"7159610","9.2344","0.0005","16.0149","0.0009","17.8661","0.0009","90","","90","","90","","2642.2","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O6 -","- C30 H50 O6 -","- C120 H200 O24 -","4","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0582","0.0456","","","0.1101","0.1162","","","","","","1.062","","","","has coordinates","288889","2024-01-06","09:40:02",""
"7159611","12.7887","0.001","13.3649","0.001","53.155","0.004","90","","90","","90","","9085.2","1.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C360 H576 O60 -","12","3","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0765","0.0657","","","0.1791","0.1865","","","","","","1.038","","","","has coordinates","288889","2024-01-06","09:40:11",""
"7159612","5.5295","0.0013","21.27","0.005","12.923","0.003","90","","98.235","0.008","90","","1504.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F6 N2 O5 S2 -","- C10 H8 F6 N2 O5 S2 -","- C40 H32 F24 N8 O20 S8 -","4","1","","Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.","AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.","Organic & biomolecular chemistry","2023","21","44","8875","8882","10.1039/d3ob01351k","","","0.71073","MoKα","","0.1072","0.0727","","","0.1881","0.205","","","","","","1.047","","","","has coordinates","288866","2024-01-06","09:24:11",""
"7159613","11.206","0.003","9.424","0.003","18.834","0.006","90","","106.89","0.009","90","","1903.2","1","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","1","","Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.","AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.","Organic & biomolecular chemistry","2023","21","44","8875","8882","10.1039/d3ob01351k","","","0.71073","MoKα","","0.0644","0.0407","","","0.0864","0.0931","","","","","","0.935","","","","has coordinates","288866","2024-01-06","09:24:19",""
"7159614","8.0818","0.0007","16.4868","0.0015","32.475","0.003","90","","90","","90","","4327.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C208 H240 N16 O16 -","8","1","","Bhattacharjee, Prantika; Sarma, Bipul; Bora, Utpal","Molecular-iodine catalyzed selective construction of cyclopenta[<i>b</i>]indoles from indoles and acetone: a green gateway to indole-fused cycles.","Organic & biomolecular chemistry","2023","21","46","9275","9285","10.1039/d3ob01561k","","","0.71073","MoKα","","0.0523","0.0429","","","0.0897","0.0941","","","","","","1.063","","","","has coordinates","288875","2024-01-06","09:30:06",""
"7159615","8.7371","0.0004","13.1143","0.0005","8.7598","0.0004","90","","107.946","0.003","90","","954.87","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C46 H54 F4 N2 O8 -","2","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0802","0.0565","","","0.117","0.1279","","","","","","1.027","","","","has coordinates,has disorder","288901","2024-01-06","09:46:31",""
"7159616","40.487","0.003","7.3959","0.0004","7.5817","0.0005","90","","95.636","0.007","90","","2259.3","0.3","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0956","0.0729","","","0.1559","0.1674","","","","","","1.073","","","","has coordinates,has disorder","288901","2024-01-06","09:46:44",""
"7159617","7.7726","0.0004","11.5067","0.0006","22.6755","0.001","90","","90","","90","","2028.03","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0851","0.0673","","","0.1487","0.1573","","","","","","1.074","","","","has coordinates,has disorder","288901","2024-01-06","09:46:48",""
"7159618","7.7954","0.0002","12.3806","0.0002","23.4227","0.0005","90","","90","","90","","2260.57","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0346","0.0333","","","0.0884","0.0894","","","","","","1.061","","","","has coordinates","288901","2024-01-06","09:47:02",""
"7159619","9.3792","0.0002","12.5351","0.0002","20.43","0.0003","90","","90","","90","","2401.94","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 F2 N O5 -","- C27 H39 F2 N O5 -","- C108 H156 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0436","0.0391","","","0.0976","0.1007","","","","","","1.064","","","","has coordinates,has disorder","288901","2024-01-06","09:47:11",""
"7159620","9.1217","0.0003","11.2737","0.0003","19.5547","0.0005","90","","90","","90","","2010.91","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N O4 -","- C23 H24 F3 N O4 -","- C92 H96 F12 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.04","0.0321","","","0.0712","0.0742","","","","","","1.047","","","","has coordinates","288901","2024-01-06","09:47:20",""
"7159621","9.5587","0.0009","10.1828","0.0008","24.801","0.002","90","","90","","90","","2414","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 F2 N O6 -","- C26 H39 F2 N O6 -","- C104 H156 F8 N4 O24 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.1132","0.0982","","","0.2223","0.2272","","","","","","1.142","","","","has coordinates,has disorder","288901","2024-01-06","09:47:33",""
"7159622","12.2544","0.0003","24.9923","0.0007","7.2291","0.0002","90","","90","","90","","2214.02","0.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H29 F2 N O4 -","- C23 H29 F2 N O4 -","- C92 H116 F8 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.039","0.0373","","","0.0953","0.0967","","","","","","1.028","","","","has coordinates,has disorder","288901","2024-01-06","09:47:42",""
"7159623","9.4825","0.0003","12.4436","0.0004","19.8848","0.0005","90","","90","","90","","2346.34","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 F2 N O5 -","- C26 H37 F2 N O5 -","- C104 H148 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0484","0.0382","","","0.0827","0.0888","","","","","","1.02","","","","has coordinates","288901","2024-01-06","09:47:53",""
"7159624","7.888","0.005","12.342","0.008","23.321","0.015","90","","90","","90","","2270","3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 F2 N O5 -","- C25 H35 F2 N O5 -","- C100 H140 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0511","0.0412","","","0.0964","0.1019","","","","","","1.017","","","","has coordinates","288901","2024-01-06","09:47:57",""
"7159625","32.264","0.003","6.0091","0.0005","19.0987","0.0017","90","","110.389","0.001","90","","3470.8","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","1","","Wang, Zhaoxue; Tian, Ge; Shi, Yuying; Liu, Wanxing; Xu, Xiangdong; Li, Xiaojing; Wu, Lingang; Xie, Lei","Lewis base-catalyzed cascade [4 + 2]-annulation reaction of <i>N</i>-alkoxy acrylamides and acyl isothiocyanates: facile access to 2-imino-1,3-thiazinone derivatives.","Organic & biomolecular chemistry","2023","21","46","9200","9209","10.1039/d3ob01440a","","","0.71073","MoKα","","0.0407","0.0337","","","0.0831","0.0876","","","","","","1.032","","","","has coordinates","288874","2024-01-06","09:29:55",""
"7159626","14.7489","0.0008","15.2963","0.0009","16.4862","0.0009","85.29","0.002","82.032","0.002","87.045","0.002","3668","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H82 Cl8 N6 O6 -","- C76 H82 Cl8 N6 O6 -","- C152 H164 Cl16 N12 O12 -","2","1","","Puigcerver, Julio; Alajarin, Mateo; Martinez-Cuezva, Alberto; Berna, Jose","Modulating the shuttling motion of [2]rotaxanes built of <i>p</i>-xylylenediamine units through permethylation at the benzylic positions of the ring.","Organic & biomolecular chemistry","2023","21","45","9070","9075","10.1039/d3ob01611k","","","1.54178","CuKα","","0.0544","0.0471","","","0.1156","0.1211","","","","","","1.046","","","","has coordinates,has disorder","288899","2024-01-06","09:45:36",""
"7159627","6.14568","0.0001","12.1476","0.0002","16.5252","0.0003","90","","90.6799","0.0016","90","","1233.61","0.04","100","2","99.97","0.18","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","2","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","0.71073","MoKα","","0.0422","0.0381","","","0.1032","0.1062","","","","","","1.082","","","","has coordinates,has disorder","288900","2024-01-06","09:45:54",""
"7159628","12.3458","0.00014","27.6089","0.0003","18.0509","0.0002","90","","105.937","0.0012","90","","5916.23","0.12","100","2","100.03","0.12","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C276 H324 N12 O24 S12 -","12","3","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0784","0.0789","","","","","","1.04","","","","has coordinates","288900","2024-01-06","09:45:57",""
"7159629","11.028","0.005","24.273","0.011","8.467","0.004","90","","123.455","0.013","90","","1891","1.5","297","2","297.26","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Roy, Pritam; Anjum, S. Rehana; Sanwal, Shyam D.; Ramachary, Dhevalapally B.","Direct organocatalytic transfer hydrogenation and C-H oxidation: high-yielding synthesis of 3-hydroxy-3-alkyloxindoles.","Organic & biomolecular chemistry","2023","21","41","8335","8343","10.1039/d3ob01264f","","x-ray","0.71073","MoKα","","0.2097","0.0778","","","0.1194","0.1492","","","","","","1.004","","","","has coordinates","287279","2023-11-05","12:47:20",""
"7159630","9.8186","0.0003","10.1013","0.0003","12.0509","0.0003","104.546","0.001","100.921","0.001","104.439","0.001","1079.09","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 N2 O P S -","- C25 H21 N2 O P S -","- C50 H42 N4 O2 P2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0317","0.0298","","","0.0771","0.0786","","","","","","1.021","","","","has coordinates","287280","2023-11-05","12:49:03",""
"7159631","9.243","0.0011","10.507","0.0012","19.92","0.002","90","","102.649","0.002","90","","1887.6","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N2 O P Pd S -","- C19 H16 Cl N2 O P Pd S -","- C76 H64 Cl4 N8 O4 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0384","0.0294","","","0.0608","0.0649","","","","","","1.051","","","","has coordinates","287280","2023-11-05","12:49:07",""
"7159632","9.9279","0.0007","12.9563","0.0009","13.4185","0.001","103.396","0.004","105.449","0.004","112.525","0.004","1424.7","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Cl4 N3 O P Pd S -","- C27 H20 Cl4 N3 O P Pd S -","- C54 H40 Cl8 N6 O2 P2 Pd2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0807","0.0634","","","0.1827","0.1976","","","","","","1.071","","","","has coordinates","287280","2023-11-05","12:49:16",""
"7159633","9.5575","0.0004","11.4798","0.0005","13.1669","0.0005","88.162","0.001","70.75","0.001","88.35","0.001","1362.92","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H21 Cl4 N2 O P Pd S -","- C26 H21 Cl4 N2 O P Pd S -","- C52 H42 Cl8 N4 O2 P2 Pd2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.023","0.0203","","","0.0485","0.0499","","","","","","1.02","","","","has coordinates,has disorder","287280","2023-11-05","12:49:19",""
"7159634","9.4217","0.0003","15.3527","0.0005","19.3509","0.0005","90","","95.303","0.001","90","","2787.1","0.15","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl4 F N2 O P Pd S -","- C26 H20 Cl4 F N2 O P Pd S -","- C104 H80 Cl16 F4 N8 O4 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0274","0.0246","","","0.0575","0.0588","","","","","","1.066","","","","has coordinates","287280","2023-11-05","12:49:19",""
"7159635","11.9627","0.0003","19.9021","0.0006","15.1273","0.0004","90","","136.653","0.001","90","","2472.15","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N2 O2 P S -","- C26 H23 N2 O2 P S -","- C104 H92 N8 O8 P4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0432","0.0368","","","0.1001","0.1041","","","","","","1.043","","","","has coordinates","287280","2023-11-05","12:49:19",""
"7159636","14.0537","0.0011","11.5635","0.001","19.5357","0.0017","90","","110.681","0.004","90","","2970.2","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl N2 O3 P Pd S -","- C30 H32 Cl N2 O3 P Pd S -","- C120 H128 Cl4 N8 O12 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.1077","0.1059","","","0.2604","0.2612","","","","","","1.371","","","","has coordinates,has disorder","287280","2023-11-05","12:49:19",""
"7159637","7.6935","0.0002","9.733","0.0002","33.1956","0.0006","90","","90","","90","","2485.71","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","1","","Liu, Li-Xia; Huang, Wen-Jun; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed stereoselective construction of chiral allenes bearing nonadjacent axial and two central chirality.","Organic & biomolecular chemistry","2023","21","42","8516","8520","10.1039/d3ob01315d","","","1.54178","CuKα","","0.0729","0.0613","","","0.1705","0.1899","","","","","","1.027","","","","has coordinates","287281","2023-11-05","12:51:13",""
"7159638","12.9083","0.0011","8.1492","0.0007","20.8706","0.0018","90","","90","","90","","2195.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","1","","Sun, Li; Li, Jiyu; Wu, Yafei; Li, Ying; Chen, Junqi; Xia, Xiaoye; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed [4 + 2] cycloaddition of 2-methylidenetrimethylene carbonate or methylene cyclic carbamate with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2023","21","40","8107","8111","10.1039/d3ob01361h","","","0.71073","MoKα","","0.088","0.0592","","","0.1499","0.1648","","","","","","1.048","","","","has coordinates","287282","2023-11-05","12:52:45",""
"7159639","10.3512","0.0009","11.2333","0.001","22.0866","0.0018","90","","90.88","0.002","90","","2567.9","0.4","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Xue, Feixue; Yang, Chang-Jiang; Tang, Tong; He, Zhengjie","Sequential annulation and isomerisation reaction of 3-acylmethylidene oxindoles with Huisgen zwitterions and synthesis of 5-(3-oxindolyl)oxazoles.","Organic & biomolecular chemistry","2023","21","40","8176","8181","10.1039/d3ob01199b","","","0.71073","MoKα","","0.0349","0.0299","","","0.0789","0.0811","","","","","","1.067","","","","has coordinates","287283","2023-11-05","12:53:08",""
"7159640","11.4154","0.0014","8.0858","0.001","11.9564","0.0014","90","","99.308","0.002","90","","1089.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N3 O4 -","- C24 H29 N3 O4 -","- C48 H58 N6 O8 -","2","1","","Zhan, Guanqun; Zhang, Fuxin; Yang, Kailing; Yang, Tao; Zhou, Ruixi; Chen, Wenwen; Zhang, Jingwei; Zhang, Xinxin; Guo, Zengjun","Alscholarines A and B, two rearranged monoterpene indole alkaloids from <i>Alstonia scholaris</i>.","Organic & biomolecular chemistry","2023","21","40","8190","8196","10.1039/d3ob01424j","","x-ray","1.34138","Synchrotron","GaKα","0.0401","0.04","","","0.106","0.1061","","","","","","1.05","","","","has coordinates","287284","2023-11-05","12:53:34",""
"7159641","10.3124","0.0004","6.3748","0.0003","12.1798","0.0006","90","","100.745","0.005","90","","786.65","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C30 H38 N2 O8 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0419","0.0334","","","0.0731","0.0777","","","","","","1.037","","","","has coordinates","288879","2024-01-06","09:32:15",""
"7159642","6.2757","0.0004","10.0567","0.0008","18.9671","0.0016","90","","90","","90","","1197.07","0.16","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O2 S -","- C9 H19 N O2 S -","- C36 H76 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1131","0.0485","","","0.1051","0.1298","","","","","","1.002","","","","has coordinates,has disorder","288879","2024-01-06","09:32:27",""
"7159643","10.0224","0.0006","6.6552","0.0003","14.9401","0.0009","90","","107.562","0.006","90","","950.07","0.1","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H13 N O2 S -","- C8 H13 N O2 S -","- C32 H52 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.051","0.0416","","","0.1072","0.1154","","","","","","1.043","","","","has coordinates","288879","2024-01-06","09:32:32",""
"7159644","9.9519","0.0005","5.9259","0.0003","12.0663","0.0006","90","","90.859","0.004","90","","711.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0889","0.0933","","","","","","1.052","","","","has coordinates","288879","2024-01-06","09:32:46",""
"7159645","19.872","0.003","6.6196","0.0007","16.26","0.002","90","","108.918","0.016","90","","2023.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O2 S -","- C9 H15 N O2 S -","- C72 H120 N8 O16 S8 -","8","2","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1241","0.0752","","","0.1625","0.2078","","","","","","1.026","","","","has coordinates","288879","2024-01-06","09:32:58",""
"7159646","10.004","0.0003","6.04477","0.00015","14.4466","0.0004","90","","105.076","0.003","90","","843.54","0.04","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 S -","- C14 H23 N O5 S -","- C28 H46 N2 O10 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0421","0.035","","","0.0908","0.0963","","","","","","1.02","","","","has coordinates,has disorder","288879","2024-01-06","09:33:08",""
"7159647","6.5356","0.0002","9.826","0.0003","20.5497","0.0006","90","","90","","90","","1319.68","0.07","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C40 H68 N4 O16 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0663","0.0482","","","0.1226","0.1328","","","","","","1.019","","","","has coordinates","288879","2024-01-06","09:33:12",""
"7159648","5.9251","0.0004","11.4025","0.0008","18.0255","0.0014","90","","90","","90","","1217.82","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N O2 S -","- C10 H21 N O2 S -","- C40 H84 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1338","0.054","","","0.1202","0.1385","","","","","","0.832","","","","has coordinates","288879","2024-01-06","09:33:20",""
"7159649","5.6555","0.0003","8.2434","0.0003","14.8956","0.0007","90","","100.631","0.005","90","","682.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C28 H34 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0565","0.039","","","0.0798","0.0888","","","","","","1.056","","","","has coordinates","288879","2024-01-06","09:33:29",""
"7159650","14.7795","0.0002","8.01466","0.00011","15.01","0.0003","90","","107.478","0.0018","90","","1695.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C60 H102 N6 O12 S6 -","6","3","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0273","0.025","","","0.0628","0.0641","","","","","","1.06","","","","has coordinates","288879","2024-01-06","09:33:33",""
"7159651","10.988","0.002","11.648","0.002","12.588","0.003","114.144","0.006","108.931","0.007","92.315","0.007","1362.4","0.5","250","2","250","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N O5 S -","- C33 H23 N O5 S -","- C66 H46 N2 O10 S2 -","2","1","","Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna","Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene <i>N</i>-arylpyrrolidine-diones.","Organic & biomolecular chemistry","2023","21","46","9192","9199","10.1039/d3ob01629c","","","0.71073","MoKα","","0.0669","0.0597","","","0.1687","0.177","","","","","","1.074","","","","has coordinates","288877","2024-01-06","09:31:13",""
"7159652","12.8","0.14","12.93","0.15","18.3","0.2","101.19","0.14","94.84","0.15","107.4","0.2","2802","5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H50 Br2 N6 O8 -","- C32 H24 Br N3 O4 -","- C64 H48 Br2 N6 O8 -","2","1","","Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna","Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene <i>N</i>-arylpyrrolidine-diones.","Organic & biomolecular chemistry","2023","21","46","9192","9199","10.1039/d3ob01629c","","","0.71073","MoKα","","0.2491","0.0795","","","0.1751","0.2825","","","","","","1.0067","","","","has coordinates","288877","2024-01-06","09:31:23",""
"7159653","46.814","0.006","5.8604","0.0008","12.4797","0.0016","90","","105.085","0.007","90","","3305.8","0.8","273.15","","273.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C68 H80 N4 O32 -","- C68 H80 N4 O32 -","- C136 H160 N8 O64 -","2","0.5","","Shankar, Bhawani; Singh, Tejveer; Kumar, Banty; Arora, Aditi; Kumar, Sumit; Singh, Brajendra K.","Solvent-free synthesis and <i>in-silico</i> molecular docking study of (<i>E</i>)-3-(β-<i>C</i>-glycosylmethylidene)-<i>N</i>-aryl/alkyl succinimides.","Organic & biomolecular chemistry","2023","21","47","9398","9409","10.1039/d3ob01252b","","","0.71073","MoKα","","0.0545","0.0407","","","0.0897","0.099","","","","","","1.057","","","","has coordinates","288884","2024-01-06","09:35:39",""
"7159654","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","288888","2024-01-06","09:38:58",""
"7159655","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","1","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","288888","2024-01-06","09:39:12",""
"7159656","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","1","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","288888","2024-01-06","09:39:27",""
"7159657","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","288888","2024-01-06","09:39:33",""
"7159658","21.16","0.008","5.022","0.002","21.185","0.008","90","","119.93","0.02","90","","1951","1.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C72 H78 Cl6 N12 O18 -","6","3","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2453","0.148","","","0.2933","0.3466","","","","","","1.039","","","","has coordinates","288878","2024-01-06","09:31:42",""
"7159659","11.837","0.0018","22.263","0.004","14.667","0.002","90","","91.31","0.004","90","","3864.1","1.1","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 Br N4 Ni O4 -","- C37 H33 Br N4 Ni O4 -","- C148 H132 Br4 N16 Ni4 O16 -","4","2","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2411","0.0703","","","0.1422","0.1916","","","","","","0.854","","","","has coordinates","288878","2024-01-06","09:31:51",""
"7159660","11.28","0.003","9.997","0.003","11.637","0.004","90","","91.08","0.02","90","","1312","0.7","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Martelli, Lorena S. R.; da Silva, Otavio A. M.; Zukerman-Schpector, Julio; Corrêa, Arlene G","One-pot synthesis of γ-lactams from ketoaziridines.","Organic & biomolecular chemistry","2023","21","46","9128","9132","10.1039/d3ob01568h","","","0.71073","MoKα","","0.1339","0.0495","","","0.0838","0.1104","","","","","","0.703","","","","has coordinates","288882","2024-01-06","09:34:54",""
"7159661","9.065","0.0002","25.6508","0.0007","12.7514","0.0003","90","","97.158","0.002","90","","2941.9","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 I N2 O2 -","- C33 H27 I N2 O2 -","- C132 H108 I4 N8 O8 -","4","2","","Uchikura, Tatsuhiro; Takahashi, Kazuki; Oishi, Tatsushi; Akiyama, Takahiko","Visible-light-driven enantioselective intermolecular [2 + 2] photocyclization utilizing bathochromic excitation mediated by a chiral phosphoric acid.","Organic & biomolecular chemistry","2023","21","46","9138","9142","10.1039/d3ob01425h","","x-ray","1.54184","CuKα","","0.1336","0.1288","","","0.3507","0.3535","","","","","","1.053","","","","has coordinates","288876","2024-01-06","09:30:22",""
"7159662","11.4857","0.0015","9.7788","0.0014","9.6329","0.0011","90","","101.874","0.012","90","","1058.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br F2 O3 -","- C11 H7 Br F2 O3 -","- C44 H28 Br4 F8 O12 -","4","1","","Wu, Long-Hui; Liu, Xia; Liu, Zhao-Wen; Chen, Zhi-Xi; Fu, Xin-Lei; Yang, Kai","Metal-free synthesis of difluoro/trifluoromethyl carbinol-containing chromones <i>via</i> tandem cyclization of <i>o</i>-hydroxyaryl enaminones.","Organic & biomolecular chemistry","2023","21","46","9236","9241","10.1039/d3ob01582c","","x-ray","1.54184","CuKα","","0.0867","0.0679","","","0.1727","0.2021","","","","","","1.017","","","","has coordinates","288881","2024-01-06","09:34:35",""
"7159670","13.0387","0.0013","18.89","0.002","14.4657","0.0015","90","","106.702","0.003","90","","3412.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C144 H116 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1448","0.0673","","","0.1659","0.2039","","","","","","1.021","","","","has coordinates","288887","2024-01-06","09:37:14",""
"7159671","11.4127","0.0017","11.889","0.002","14.951","0.002","67.152","0.005","72.453","0.004","70.704","0.005","1729.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N3 O5 -","- C36 H28 Cl N3 O5 -","- C72 H56 Cl2 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1614","0.0656","","","0.1348","0.1679","","","","","","1.009","","","","has coordinates","288887","2024-01-06","09:37:24",""
"7159672","19.3769","0.001","9.5886","0.0005","18.282","0.001","90","","113.898","0.0016","90","","3105.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N3 O5 -","- C36 H31 N3 O5 -","- C144 H124 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1141","0.0551","","","0.1126","0.1347","","","","","","1.037","","","","has coordinates,has disorder","288887","2024-01-06","09:37:29",""
"7159673","13.5696","0.0013","9.6679","0.001","24.307","0.003","90","","92.204","0.003","90","","3186.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N3 O5 -","- C38 H33 N3 O5 -","- C152 H132 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1346","0.0683","","","0.1578","0.1872","","","","","","1.025","","","","has coordinates,has disorder","288887","2024-01-06","09:37:42",""
"7159674","8.803","0.002","11.433","0.003","18.19","0.005","106.892","0.008","93.952","0.008","94.154","0.008","1739.4","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N3 O5 -","- C35 H29 N3 O5 -","- C70 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1504","0.0732","","","0.1966","0.238","","","","","","1.018","","","","has coordinates","288887","2024-01-06","09:37:54",""
"7159675","9.0882","0.0005","15.9008","0.0008","10.1768","0.0005","90","","96.1407","0.0017","90","","1462.21","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C72 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.0651","0.04","","","0.0789","0.0879","","","","","","1.025","","","","has coordinates","288887","2024-01-06","09:38:08",""
"7159676","23.664","0.003","10.3466","0.0011","22.561","0.003","90","","116.638","0.003","90","","4937.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 F N2 O6 -","- C29 H21 F N2 O6 -","- C232 H168 F8 N16 O48 -","8","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.2219","0.0687","","","0.0984","0.134","","","","","","1.006","","","","has coordinates","288887","2024-01-06","09:38:23",""
"7159677","8.46","0.007","11.802","0.009","17.491","0.014","79.66","0.01","83.815","0.011","89.445","0.011","1708","2","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","2","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds <i>via</i> a regioselective cascade 1,4-conjugate addition/5-<i>exo-dig</i> annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.1211","0.0545","","","0.118","0.1415","","","","","","0.995","","","","has coordinates","288880","2024-01-06","09:33:56",""
"7159678","6.9547","0.0006","19.975","0.002","12.2707","0.0014","90","","90.477","0.004","90","","1704.6","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds <i>via</i> a regioselective cascade 1,4-conjugate addition/5-<i>exo-dig</i> annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.1343","0.0549","","","0.1119","0.143","","","","","","1.022","","","","has coordinates","288880","2024-01-06","09:34:07",""
"7159679","23.118","0.012","23.118","0.012","14.243","0.009","90","","90","","90","","7612","7","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C336 H272 N16 O48 -","16","1","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds <i>via</i> a regioselective cascade 1,4-conjugate addition/5-<i>exo-dig</i> annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.2022","0.0862","","","0.1958","0.2671","","","","","","1.014","","","","has coordinates,has disorder","288880","2024-01-06","09:34:17",""
"7159680","6.9302","0.0009","10.5748","0.0014","19.067","0.003","90","","90","","90","","1397.3","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.0649","0.0434","","","0.0987","0.1102","","","","","","1.024","","","","has coordinates","288891","2024-01-06","09:41:20",""
"7159681","7.426","0.0014","10.475","0.002","18.684","0.004","90","","90","","90","","1453.4","0.5","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C68 H60 F8 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.147","0.0542","","","0.1126","0.1554","","","","","","1.0461","","","","has coordinates","288891","2024-01-06","09:41:34",""
"7159682","7.4846","0.0002","6.6085","0.0002","27.89","0.0008","90","","96.294","0.002","90","","1371.18","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mukhopadhyay, Subhamoy; Khaitan, Bhavya; Gandhi, Shikha","Synthesis of tricyclic oxazinoindolones <i>via</i> Pd-catalyzed intramolecular addition of carboxylic acids to alkynes.","Organic & biomolecular chemistry","2023","21","47","9326","9329","10.1039/d3ob01672b","","","1.54184","CuKα","","0.0698","0.0648","","","0.1493","0.1518","","","","","","1.1492","","","","has coordinates","288885","2024-01-06","09:36:02",""
"7159683","12.2396","0.0003","7.38829","0.00013","27.218","0.0005","90","","92.5426","0.0019","90","","2458.89","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 O5 S -","- C29 H24 O5 S -","- C116 H96 O20 S4 -","4","1","","Huang, Lei; Wang, Yan; Liu, Xin; Tian, Shi-Kai","Convenient synthesis of thiolated 2,7-disubstituted tropones <i>via</i> double C-N bond cleavage of tropinone derivatives.","Organic & biomolecular chemistry","2023","21","47","9321","9325","10.1039/d3ob01835k","","x-ray","1.54184","CuKα","","0.0554","0.0436","","","0.1144","0.125","","","","","","1.043","","","","has coordinates","288886","2024-01-06","09:36:19",""
"7159684","15.2016","0.0002","16.526","0.0002","11.22516","0.00019","90","","103.23","0.0016","90","","2745.15","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F3 N O4 S -","- C25 H26 F3 N O4 S -","- C100 H104 F12 N4 O16 S4 -","4","1","","Huang, Lei; Wang, Yan; Liu, Xin; Tian, Shi-Kai","Convenient synthesis of thiolated 2,7-disubstituted tropones <i>via</i> double C-N bond cleavage of tropinone derivatives.","Organic & biomolecular chemistry","2023","21","47","9321","9325","10.1039/d3ob01835k","","x-ray","1.54184","CuKα","","0.0568","0.0503","","","0.1484","0.1555","","","","","","1.081","","","","has coordinates","288886","2024-01-06","09:36:25",""
"7159685","17.9648","0.001","14.7598","0.0007","13.8606","0.0008","90","","100.983","0.004","90","","3607.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H4 Br N2 S2 -","- C69 H4 Br N S2 -","- C276 H16 Br4 N4 S8 -","4","1","","Ma, Wen-Bin; Wang, Long-Ge; Chen, Shou-Rui; Zhang, Xiang; Xuan, Jun; Li, Fei","Synthesis of spiro[indolenine]-methanofullerenes <i>via</i> Deoxofluor promoted deoxygenative cyclopropanation of 1,2-(3-indole)-fullerenols.","Organic & biomolecular chemistry","2023","21","47","9459","9462","10.1039/d3ob01697h","","","1.54186","CuKα","","0.1087","0.0752","","","0.197","0.2269","","","","","","1.044","","","","has coordinates","288883","2024-01-06","09:35:19",""
"7159686","11.9232","0.0003","10.4301","0.0004","22.0572","0.0008","90","","100.919","0.001","90","","2693.38","0.16","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 N2 O3 -","- C33 H32 N2 O3 -","- C132 H128 N8 O12 -","4","1","","Luo, Wenjun; Zheng, Xinghua; Zhang, Fanglian; Luo, Qiuya; Deng, Wen-Ting; Long, Lipeng; Yu, Daohong; Wang, Zhong-Xia; Chen, Zhengwang","Synthesis of functionalized tetrahydrodibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-1(2<i>H</i>)-ones through base-promoted annulation of quinoline-derived dipolarophiles and cyclic enaminones.","Organic & biomolecular chemistry","2023","21","48","9524","9529","10.1039/d3ob01547e","","","0.71073","MoKα","","0.1233","0.0875","","","0.1551","0.1717","","","","","","1.173","","","","has coordinates,has disorder","288893","2024-01-06","09:42:25",""
"7159687","11.682","0.0002","16.385","0.0003","15.2184","0.0003","90","","103.063","0.002","90","","2837.57","0.09","99.99","0.14","99.99","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","H2NAib4-L-AlaNHtBu","","- C23 H46 N6 O6 -","- C23 H46 N6 O6 -","- C92 H184 N24 O24 -","4","2","","Tilly, David P.; McColl, Catherine; Hu, Mingda; Vitórica-Yrezábal, Iñigo J; Webb, Simon J.","Enantioselective conjugate addition to nitroolefins catalysed by helical peptides with a single remote stereogenic centre.","Organic & biomolecular chemistry","2023","21","48","9562","9571","10.1039/d3ob01594g","","x-ray","1.54184","CuKα","","0.0485","0.0384","","","0.0912","0.0972","","","","","","1.06","","","","has coordinates","288896","2024-01-06","09:43:41",""
"7159688","11.6688","0.0004","7.6572","0.0002","13.4891","0.0004","90","","101.345","0.002","90","","1181.71","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C54 H56 N4 O12 -","2","1","","Denhez, Clément; Lameiras, Pedro; Berber, Hatice","Atropisomerism about aryl-C(sp<sup>3</sup>) bonds: chemically driven rotational pathway in cannabidiol derivatives.","Organic & biomolecular chemistry","2023","21","48","9572","9582","10.1039/d3ob01617j","","","1.54178","CuKα","","0.0403","0.0347","","","0.0783","0.0822","","","","","","1.021","","","","has coordinates","288895","2024-01-06","09:43:22",""
"7159689","8.3294","0.0019","9.907","0.002","16.337","0.004","75.76","0.003","78.824","0.003","69.309","0.003","1213.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Mali, Ghanshyam; Kumar Yadav, Vinay; Priya, Himani; Shukla, Manjari; Pandey, Peeyush; Kumar, Akhilesh; Paranjothy, Manikandan; Bhattacharyya, Sudipta; Erande, Rohan D.","The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-<i>a</i>]indoles <i>via</i> a BF<sub>3</sub>·OEt<sub>2</sub>-assisted cascade approach.","Organic & biomolecular chemistry","2023","21","48","9659","9668","10.1039/d3ob01457f","","","0.71073","MoKα","","0.0743","0.0486","","","0.1193","0.1345","","","","","","1.032","","","","has coordinates","288897","2024-01-06","09:44:07",""
"7159690","8.3075","0.0003","10.5823","0.0003","19.6489","0.0007","98.16","0.001","91.301","0.001","111.168","0.001","1589.39","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O4 -","- C36 H46 N2 O4 -","- C72 H92 N4 O8 -","2","1","","Mali, Ghanshyam; Kumar Yadav, Vinay; Priya, Himani; Shukla, Manjari; Pandey, Peeyush; Kumar, Akhilesh; Paranjothy, Manikandan; Bhattacharyya, Sudipta; Erande, Rohan D.","The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-<i>a</i>]indoles <i>via</i> a BF<sub>3</sub>·OEt<sub>2</sub>-assisted cascade approach.","Organic & biomolecular chemistry","2023","21","48","9659","9668","10.1039/d3ob01457f","","","0.71073","MoKα","","0.0745","0.0507","","","0.1179","0.1312","","","","","","1.032","","","","has coordinates","288897","2024-01-06","09:44:20",""
"7159691","25.055","0.006","3.8926","0.0009","13.226","0.003","90","","90","","90","","1289.9","0.5","297","2","297","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H9 Cl O3 -","- C17 H9 Cl O3 -","- C68 H36 Cl4 O12 -","4","1","","Faraz, Simra; Ali, Ahmad; Taleb Khan, Abu","FeCl<sub>3</sub>-catalyzed regioselective ring-opening of aryl oxirane with 4-hydroxycoumarin for the synthesis of furo[3,2-<i>c</i>]coumarins.","Organic & biomolecular chemistry","2023","22","1","95","105","10.1039/d3ob01721d","","","0.71073","MoKα","","0.0842","0.0487","","","0.0744","0.0832","","","","","","1.142","","","","has coordinates","289608","2024-02-04","12:26:35",""
"7159692","13.9745","0.0006","20.9846","0.0008","7.8209","0.0004","90","","119.645","0.001","90","","1993.27","0.15","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H21 F N2 O2 -","- C25 H21 F N2 O2 -","- C100 H84 F4 N8 O8 -","4","1","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.0462","0.035","","","0.0788","0.0877","","","","","","1.068","","","","has coordinates","288890","2024-01-06","09:40:43",""
"7159693","9.0733","0.0017","11.2285","0.0018","21.135","0.004","85.568","0.007","87.255","0.008","81.71","0.007","2122.9","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","2","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.1088","0.0752","","","0.2278","0.2705","","","","","","1.093","","","","has coordinates","288890","2024-01-06","09:40:55",""
"7159695","26.509","0.006","8.6693","0.0018","19.55","0.004","90","","102.969","0.005","90","","4378.3","1.6","293","2","293","2","","","","","","","SYNTHESIS","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F6 N5 S -","- C23 H15 F6 N5 S -","- C184 H120 F48 N40 S8 -","8","1","","Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis","A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.","Organic & biomolecular chemistry","2023","22","1","114","119","10.1039/d3ob01826a","","x-ray","0.71073","MoKα","","0.1474","0.1085","","","0.1654","0.1844","","","","","","1.201","","","","has coordinates","289605","2024-02-04","12:26:08",""
"7159696","9.2259","0.0011","17.758","0.002","25.991","0.003","90","","95.635","0.004","90","","4237.6","0.9","293","2","293","2","","","","","","","SYNTHESIS","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Cl F6 N6 S -","- C39 H45 Cl F6 N6 S -","- C156 H180 Cl4 F24 N24 S4 -","4","1","","Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis","A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.","Organic & biomolecular chemistry","2023","22","1","114","119","10.1039/d3ob01826a","","x-ray","0.71073","MoKα","","0.1433","0.0879","","","0.2113","0.2645","","","","","","1.076","","","","has coordinates","289605","2024-02-04","12:26:08",""
"7159697","4.6598","0.0003","12.6674","0.0015","13.5783","0.0016","115.794","0.011","93.082","0.007","94.546","0.007","715.88","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","","Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin","Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.","Organic & biomolecular chemistry","2023","22","1","120","125","10.1039/d3ob01717f","","x-ray","0.71073","MoKα","","0.1115","0.0834","","","0.218","0.2424","","","","","","1.033","","","","has coordinates","289609","2024-02-04","12:26:48",""
"7159698","6.6228","0.0005","8.4131","0.0006","18.9386","0.0013","90","","93.381","0.006","90","","1053.39","0.13","136.2","0.3","136.2","0.3","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin","Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.","Organic & biomolecular chemistry","2023","22","1","120","125","10.1039/d3ob01717f","","x-ray","0.71073","MoKα","","0.1231","0.1122","","","0.219","0.2236","","","","","","1.023","","","","has coordinates","289609","2024-02-04","12:26:48",""
"7159699","4.1549","0.0005","25.864","0.002","8.0655","0.0009","90","","101.904","0.011","90","","848.1","0.16","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Br N3 -","- C9 H6 Br N3 -","- C36 H24 Br4 N12 -","4","1","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.1433","0.1178","","","0.2942","0.3278","","","","","","1.311","","","","has coordinates","288894","2024-01-06","09:42:44",""
"7159700","9.0182","0.0005","13.7411","0.0004","9.4416","0.0005","90","","118.495","0.007","90","","1028.27","0.11","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","1","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.0456","0.0398","","","0.1119","0.1159","","","","","","1.054","","","","has coordinates","288894","2024-01-06","09:42:52",""
"7159701","9.3536","0.0003","10.4366","0.0003","13.3657","0.0004","78.907","0.002","79.54","0.003","76.41","0.003","1231.75","0.07","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","2","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.0699","0.0595","","","0.1376","0.1434","","","","","","1.109","","","","has coordinates","288894","2024-01-06","09:43:02",""
"7159702","7.1304","0.0002","10.9898","0.0003","20.539","0.0005","90","","90","","90","","1609.47","0.07","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo","Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.","Organic & biomolecular chemistry","2023","22","1","175","183","10.1039/d3ob01708g","","x-ray","0.71073","MoKα","","0.0431","0.0368","","","0.0948","0.0981","","","","","","1.045","","","","has coordinates","289606","2024-02-04","12:26:14",""
"7159703","7.4594","0.0005","11.1518","0.0007","14.7331","0.0009","94.669","0.004","101.035","0.004","99.434","0.004","1178.58","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 I N -","- C27 H22 Cl2 I N -","- C54 H44 Cl4 I2 N2 -","2","1","","Yunyaeva, Olga; Hean, Duane; Wolf, Michael O.","Restricted rotation and tunable fluorescence in atropisomeric naphthyl pyridine chromophores.","Organic & biomolecular chemistry","2023","21","48","9623","9629","10.1039/d3ob01819a","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.089","0.0925","","","","","","1.06","","","","has coordinates,has disorder","288892","2024-01-06","09:41:53",""
"7159705","5.1374","0.0002","19.8255","0.0007","12.6832","0.0004","90","","92.011","0.001","90","","1291.01","0.08","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 -","- C40 H26 -","- C80 H52 -","2","0.5","","Polkaehn, Jonas; Ehlers, Peter; Villinger, Alexander; Langer, Peter","Pyrene-bridged acenaphthenes: synthesis and properties of a diacenaphtho[1,2-<i>e</i>:1',2'-<i>l</i>]pyrene and its symmetrical nitrogen analogue.","Organic & biomolecular chemistry","2023","21","48","9669","9676","10.1039/d3ob01744c","","","0.71073","MoKα","","0.0654","0.0493","","","0.1215","0.137","","","","","","1.042","","","","has coordinates,has disorder","288898","2024-01-06","09:44:43",""
"7159706","17.3542","0.0007","22.6322","0.0008","8.8875","0.0004","90","","90","","90","","3490.7","0.2","299","2","299","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C1.063 H1.875 N0.125 O0.125 -","- C1.0625 H1.875 N0.125 O0.125 -","- C136 H240 N16 O16 -","128","8","","Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Dutta, Souvik; Kurur, Narayanan D.; Goel, Gaurav; Haridas, V.","Bispidine as a promising scaffold for designing molecular machines.","Organic & biomolecular chemistry","2023","21","45","9054","9060","10.1039/d3ob01406a","","","0.71073","MoKα","","0.0401","0.034","","","0.0852","0.0905","","","","","","1.0518","","","","has coordinates","288047","2023-12-05","19:29:19",""
"7159708","10.587","0.002","15.112","0.003","16.143","0.003","107.182","0.012","102.52","0.013","106.296","0.011","2238.3","0.8","140","","140","","","","","","","","","5","P -1","-P 1","2","","Compound 1a","","- C37 H25 F12 N7 O5 -","- C37 H25 F12 N7 O5 -","- C74 H50 F24 N14 O10 -","2","1","","Pradhan, Nyaya Prakash; Namdev, Kavthekar Rupesh; Srivastava, Aasheesh","Molecular clips with spatially proximal urea residues for efficient transmembrane co-transport of H<sup>+</sup>/Cl<sup>-</sup> ions.","Organic & biomolecular chemistry","2023","22","1","74","79","10.1039/d3ob01431b","","","0.71073","MoKα","","0.1494","0.0719","","","0.1872","0.2267","","","","","","1.014","","","","has coordinates,has disorder","289607","2024-02-04","12:26:23",""
"7159750","7.7704","0.0004","11.2784","0.0005","11.4173","0.0008","90","","107.296","0.007","90","","955.34","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H25 N -","- C25 H25 N -","- C50 H50 N2 -","2","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0849","0.0684","","","0.1702","0.1947","","","","","","1.042","","","","has coordinates","288699","2024-01-05","12:56:42",""
"7159751","7.7133","0.0002","11.0969","0.0003","17.3223","0.0006","90","","92.53","0.001","90","","1481.23","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0959","0.064","","","0.1569","0.1975","","","","","","1.061","","","","has coordinates","288699","2024-01-05","12:56:53",""
"7159752","7.8405","0.0004","10.9929","0.0006","17.4746","0.0009","90","","90","","90","","1506.13","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0757","0.0674","","","0.1791","0.1917","","","","","","1.044","","","","has coordinates","288699","2024-01-05","12:57:03",""
"7159753","10.9527","0.0002","12.7611","0.0003","17.1116","0.0004","90","","90","","90","","2391.66","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N O4 S -","- C32 H23 N O4 S -","- C128 H92 N4 O16 S4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0567","0.0552","","","0.1351","0.1364","","","","","","1.058","","","","has coordinates","288699","2024-01-05","12:57:15",""
"7245708","11.9497","0.0005","11.9497","0.0005","11.9497","0.0005","90","","90","","90","","1706.36","0.12","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu2.22 Ga11 Sn35 -","- Eu2.216 Ga10.996 Sn35.004 -","- Eu2.216 Ga10.996 Sn35.004 -","1","0.0208333","","Gunatilleke, Wilarachchige D. C. B.; Wong-Ng, Winnie; Zavalij, Peter Y.; Zhang, Mingjian; Chen, Yu-Sheng; Nolas, George S.","Revealing uncommon transport in the previously unascertained very low cation clathrate-I Eu2Ga11Sn35","CrystEngComm","2023","25","1","48","52","10.1039/D2CE01026G","","","0.41328","SynchrotronX-ray","","0.0095","0.0095","","","0.0215","0.0216","","","","","","1.224","","","","has coordinates","281407","2023-03-04","18:08:30",""
"7245784","10.7786","0.0006","12.6891","0.0007","14.2722","0.0008","77.497","0.001","86.221","0.001","67.301","0.001","1757.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5 -","- C3.875 H3 Ag0.625 N0.125 O1.625 P0.5 -","- C62 H48 Ag10 N2 O26 P8 -","16","8","","Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei","Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition","CrystEngComm","2023","25","1","108","113","10.1039/D2CE01240E","","","0.71073","MoKα","","0.0307","0.0268","","","0.0702","0.0748","","","","","","0.955","","","","has coordinates","281403","2023-03-04","18:07:22",""
"7245794","6.0752","0.0003","9.8777","0.0005","22.1887","0.0013","90","","91.536","0.005","90","","1331.04","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","","Zhu, Can-Ming; Liang, Rong-Bin; Xiao, Yonghong; Zhou, Wei; Tong, Qing-Xiao; Zhong, Jian-Ji","Metal-free and site-selective α-C–H functionalization of tetrahydrofuran enabled by the photocatalytic generation of bromine radicals","Green Chemistry","2023","25","3","960","965","10.1039/D2GC03347J","","x-ray","1.54184","CuKα","","0.0621","0.0538","","","0.138","0.1429","","","","","","1.069","","","","has coordinates","281484","2023-03-04","18:25:46",""
"7245826","36.495","0.0004","16.3703","0.0002","60.2225","0.0006","90","","127.005","0.001","90","","28732.2","0.7","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C820 H1116 Br64 Dy32 N96 Ni64 O314 -","8","1","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0916","0.078","","","0.1933","0.2022","","","","","","1.104","","","","has coordinates,has disorder","281402","2023-03-04","18:07:13",""
"7245842","10.1024","0.0002","10.91929","0.00018","13.0659","0.0003","90","","106.645","0.002","90","","1380.92","0.05","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0352","0.0335","","","0.0841","0.0856","","","","","","1.028","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245843","10.1101","0.0002","10.85749","0.00019","13.0218","0.0003","90","","107.285","0.002","90","","1364.85","0.05","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0134","0.0131","","","0.0334","0.0335","","","","","","1.045","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245844","9.98147","0.00015","10.86524","0.00017","12.8851","0.0002","90","","106.697","0.0017","90","","1338.48","0.04","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0225","0.0219","","","0.0571","0.0573","","","","","","1.058","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245845","10.0967","0.0001","10.85","0.0001","13.0172","0.0002","90","","107.314","0.001","90","","1361.41","0.03","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0141","0.0136","","","0.0325","0.0327","","","","","","1.064","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245846","10.1059","0.0001","10.9312","0.0001","13.0682","0.0001","90","","106.621","0.001","90","","1383.32","0.02","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0461","0.0461","","","","","","1.073","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245847","9.9679","0.0002","10.8655","0.0002","12.8831","0.0004","90","","106.713","0.003","90","","1336.38","0.06","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0272","0.0256","","","0.0647","0.0659","","","","","","1.054","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245849","9.2418","0.0013","11.9961","0.0014","14.365","0.0019","87.506","0.01","79.734","0.011","75.312","0.01","1515.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0834","0.0487","","","0.0895","0.1041","","","","","","1.088","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245850","9.1331","0.0005","12.2577","0.0006","14.8298","0.0007","87.379","0.004","80.456","0.004","74.276","0.004","1575.96","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0785","0.0457","","","0.0938","0.1087","","","","","","1.027","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245851","16.379","0.005","16.507","0.003","16.949","0.004","72.005","0.017","70.41","0.02","66.18","0.02","3868.6","1.8","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 I3 O4 -","- C39 H47 I3 O4 -","- C156 H188 I12 O16 -","4","2","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0718","0.0444","","","0.0915","0.1033","","","","","","1.028","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245852","9.543","0.003","13.487","0.004","14.872","0.003","112.213","0.019","93.826","0.019","90.32","0.02","1767.1","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H43 Br3 O4 -","- C37 H43 Br3 O4 -","- C74 H86 Br6 O8 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0703","0.0475","","","0.1009","0.1158","","","","","","1.069","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245853","26.4658","0.0018","10.9463","0.0005","27.261","0.002","90","","100.532","0.006","90","","7764.5","0.9","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C264 H216 Br72 O24 -","8","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.1149","","","","","","1.044","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245854","14.5959","0.0015","13.3943","0.0012","19.924","0.003","90","","100.189","0.009","90","","3833.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Br6 O4 -","- C37 H40 Br6 O4 -","- C148 H160 Br24 O16 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0489","0.0359","","","0.0827","0.091","","","","","","1.057","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245855","17.7349","0.0011","23.194","0.003","8.796","0.004","90","","97.162","0.014","90","","3589.9","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C132 H108 Br36 O12 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0531","0.0309","","","0.056","0.0621","","","","","","1.009","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245870","30.0732","0.001","30.0732","0.001","29.0267","0.0011","90","","90","","120","","22734.6","1.4","298","1","298","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H342 N18 O104 Ti30 -","- C216 H342 N18 O104 Ti30 -","- C648 H1026 N54 O312 Ti90 -","3","0.166667","","Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming","A close-packed Ti6 and Ti12 nanocluster superstructure","CrystEngComm","2023","25","1","53","57","10.1039/D2CE01198K","","x-ray","1.54184","CuKα","","0.1774","0.1178","","","0.3109","0.3636","","","","","","1.133","","","","has coordinates,has disorder","281406","2023-03-04","18:08:21",""
"7245871","13.132","0.0004","6.6872","0.0002","13.2034","0.0004","90","","101.394","0.003","90","","1136.62","0.06","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N3 O7 -","- C9 H11 N3 O7 -","- C36 H44 N12 O28 -","4","0.5","","Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions","CrystEngComm","2023","25","2","245","266","10.1039/D2CE01387H","","","0.71073","MoKα","","0.0635","0.0506","","","0.1455","0.162","","","","","","1.057","","","","has coordinates","281441","2023-03-04","18:17:01",""
"7245875","11.6559","0.0005","11.4576","0.0004","30.1022","0.0011","90","","94.1818","0.0012","90","","4009.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C140 H180 Cl8 N12 O28 S12 Zn6 -","2","0.5","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.08","0.0712","","","0.1851","0.1907","","","","","","1.164","","","","has coordinates","281440","2023-03-04","18:16:55",""
"7245876","16.4499","0.0007","25.8927","0.0011","9.3733","0.0004","90","","90.8495","0.0012","90","","3992","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N3 O9 S3 Zn -","- C39 H45 N3 O9 S3 Zn -","- C156 H180 N12 O36 S12 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.1085","0.0964","","","0.2575","0.2677","","","","","","1.053","","","","has coordinates,has disorder","281440","2023-03-04","18:16:55",""
"7245877","9.6199","0.0007","9.1882","0.0005","17.4611","0.0011","90","","104.355","0.008","90","","1495.19","0.17","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C52 H40 Cu2 I8 N4 O12 -","2","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0522","0.0397","","","0.0825","0.0893","","","","","","1.048","","","","has coordinates,has disorder","281404","2023-03-04","18:07:42",""
"7245878","24.6536","0.0008","13.7854","0.0005","8.686","0.0003","90","","91.111","0.003","90","","2951.47","0.18","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C104 H80 Cu4 I16 N8 O24 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.075","0.0687","","","0.1492","0.1513","","","","","","1.203","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245879","32.1635","0.001","7.9649","0.0002","29.8771","0.001","90","","123.487","0.005","90","","6383.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.33 H40 Cl2.67 Cu2 I2.67 N4 O4 -","- C37.3333 H40 Cl2.66667 Cu2 I2.66667 N4 O4 -","- C224 H240 Cl16 Cu12 I16 N24 O24 -","6","0.75","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0765","0.0788","","","","","","1.046","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245880","9.0941","0.0004","11.1084","0.0004","11.1815","0.0004","102.305","0.003","103.773","0.003","94.247","0.003","1062.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Cl Cu I2 N2 O3 -","- C19 H17 Cl Cu I2 N2 O3 -","- C38 H34 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0512","0.0395","","","0.0779","0.082","","","","","","1.026","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245881","7.8509","0.0003","8.4157","0.0005","10.9695","0.0006","79.902","0.005","77.108","0.004","87.265","0.004","695.52","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0568","0.0602","","","","","","1.027","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245882","11.0664","0.0006","11.0664","0.0006","23.521","0.002","90","","90","","90","","2880.5","0.3","140","2","140","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C75.2 H42.4 Cu4 I16 N9.6 O24 -","2","0.125","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0742","0.0539","","","0.147","0.1569","","","","","","1.089","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245883","17.3463","0.0003","17.3463","0.0003","19.8722","0.0005","90","","90","","90","","5979.4","0.2","140","2","140","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1165","0.1188","","","","","","1.16","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245884","17.7967","0.0006","17.7967","0.0006","19.2988","0.0009","90","","90","","90","","6112.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0403","0.0326","","","0.0834","0.0882","","","","","","1.023","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245885","8.5657","0.0002","11.8674","0.0002","13.5591","0.0003","89.25","0.001","85.618","0.001","89.773","0.001","1374.16","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0285","0.0229","","","0.0521","0.0537","","","","","","1.062","","","","has coordinates,has disorder","281404","2023-03-04","18:07:43",""
"7245886","9.9896","0.0005","7.298","0.0003","20.0687","0.001","90","","90.958","0.002","90","","1462.89","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I2 N O3 -","- C13 H9 Cu I2 N O3 -","- C52 H36 Cu4 I8 N4 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0616","0.0519","","","0.1202","0.1241","","","","","","1.172","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245887","16.9289","0.0004","16.9289","0.0004","19.3081","0.0006","90","","90","","90","","5533.5","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cu4 I8 N4 O12 -","- C48 H28 Cu4 I8 N4 O12 -","- C192 H112 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0294","0.0256","","","0.0581","0.06","","","","","","1.077","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245888","5.2711","0.0007","14.3697","0.0017","23.766","0.003","90","","90","","90","","1800.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cu I2 N2 O3 -","- C15 H12 Cu I2 N2 O3 -","- C60 H48 Cu4 I8 N8 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0595","0.0413","","","0.0816","0.0878","","","","","","0.952","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245889","9.3176","0.0003","11.6974","0.0004","11.8686","0.0004","73.151","0.003","71.895","0.003","89.946","0.003","1171.09","0.07","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl Cu I2 N2 O3 -","- C21 H21 Cl Cu I2 N2 O3 -","- C42 H42 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0672","0.0723","","","","","","1.009","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245890","17.7012","0.0004","17.7012","0.0004","20.5023","0.0008","90","","90","","90","","6424","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H44 Cu4 I8 N4 O12 -","- C56 H44 Cu4 I8 N4 O12 -","- C224 H176 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0477","0.0345","","","0.0813","0.089","","","","","","1.178","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245900","27.5957","0.0004","8.2299","0.0001","17.9221","0.0003","90","","96.375","0.001","90","","4045.12","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Br4 N2 Zn -","- C14 H20 Br4 N2 Zn -","- C112 H160 Br32 N16 Zn8 -","8","1","","Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang","Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission","CrystEngComm","2023","25","3","444","449","10.1039/D2CE01342H","","","1.54178","CuKα","","0.0456","0.0432","","","0.1052","0.1074","","","","","","1.154","","","","has coordinates","281466","2023-03-04","18:23:09",""
"7245901","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245902","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","","5","P -1","-P 1","2","","Silver Scandium Bis(chromate) Dihydrate","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","","","","0.0348","","","","","","","","","","","","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245903","5.3058","0.0005","10.0452","0.0009","28.782","0.002","90","","91.144","0.007","90","","1533.7","0.2","297.15","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C56 H48 Br4 Cl4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.1371","0.0964","","","0.2016","0.2253","","","","","","1.078","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245904","5.6908","0.0002","10.0921","0.0004","27.4423","0.0009","90","","84.574","0.003","90","","1569.01","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.056","0.0377","","","0.0781","0.0856","","","","","","1.058","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245905","11.1782","0.0009","10.3856","0.0006","15.2063","0.0016","90","","107.016","0.009","90","","1688.1","0.3","294.8","0.3","294.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0773","0.0467","","","0.0887","0.1028","","","","","","1.043","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245906","14.0434","0.0008","12.0064","0.0008","21.0629","0.0013","90","","90","","90","","3551.4","0.4","250.05","0.1","250.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C128 H128 Br16 N16 O32 -","8","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0891","0.0483","","","0.0512","0.0596","","","","","","1.019","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245912","19.883","0.004","7.0318","0.0014","25.673","0.005","90","","90","","90","","3589.4","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C128 H96 N64 O16 S16 -","16","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.3369","0.0633","","","0.0536","0.0942","","","","","","0.704","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245913","9.8771","0.0005","5.1276","0.0002","17.5128","0.0011","90","","101.776","0.005","90","","868.28","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","x-ray","1.54184","CuKα","","0.0585","0.053","","","0.1424","0.1691","","","","","","1.104","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245914","19.421","0.004","11.05","0.002","8.1836","0.0016","90","","101.58","0.03","90","","1720.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C64 H48 N32 O8 S8 -","8","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.2322","0.1225","","","0.1831","0.2179","","","","","","1.047","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245916","16.112","0.006","7.649","0.003","29.1","0.013","90","","101.562","0.005","90","","3514","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N3 O5 Zn -","- C13 H9 N2 O4 Zn -","- C104 H72 N16 O32 Zn8 -","8","1","","Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl","Pillared MOFs: structure and ring opening polymerization of cyclic esters","CrystEngComm","2023","25","2","267","283","10.1039/D2CE01317G","","","0.71073","MoKα","","0.0499","0.042","","","0.1039","0.1077","","","","","","1.094","","","","has coordinates,has disorder","281437","2023-03-04","18:16:06",""
"7245917","12.1692","0.0005","12.1692","0.0005","18.022","0.0011","90","","90","","120","","2311.31","0.19","170","2","170","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Gd7 N3 O32 -","- C15 H38 Cl4 Gd7 N3 O32 -","- C30 H76 Cl8 Gd14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","","0.71073","MoKα","","0.0415","0.0327","","","0.0746","0.0798","","","","","","1.073","","","","has coordinates,has disorder","281442","2023-03-04","18:17:10",""
"7245918","12.0761","0.0003","12.0761","0.0003","17.8609","0.0005","90","","90","","120","","2255.73","0.1","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Dy7 N3 O32 -","- C15 H38 Cl4.003 Dy7 N3 O32 -","- C30 H76 Cl8.006 Dy14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","x-ray","0.71073","MoKα","","0.0427","0.0373","","","0.0889","0.092","","","","","","1.134","","","","has coordinates,has disorder","281442","2023-03-04","18:17:11",""
"7245922","10.7519","0.0002","15.0363","0.0002","17.358","0.0003","71.4304","0.0013","81.7596","0.0016","84.38","0.0014","2628.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H134 Dy8 N20 O46 -","- C78 H130 Dy8 N18 O48 -","- C78 H130 Dy8 N18 O48 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","","1.54184","CuKα","","0.0927","0.0857","","","0.224","0.2326","","","","","","1.029","","","","has coordinates","281443","2023-03-04","18:17:21",""
"7245923","14.1647","0.0004","14.3993","0.0003","16.7338","0.0004","82.531","0.002","75.268","0.002","82.046","0.002","3253.05","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H158.39 Dy8 N18 O52 -","- C96 H170 Dy8 N16 O52 -","- C96 H170 Dy8 N16 O52 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","x-ray","1.54184","CuKα","","0.1075","0.1024","","","0.2773","0.2811","","","","","","1.098","","","","has coordinates","281443","2023-03-04","18:17:22",""
"7245927","12.2932","0.0006","13.6174","0.0006","16.6873","0.0008","110.386","0.002","93.646","0.002","100.428","0.002","2550.8","0.2","193","2","192.98","","","","","","","","","5","P -1","-P 1","2","","","","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1306","0.0908","","","0.2768","0.3032","","","","","","1.051","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245928","11.5153","0.0004","13.8164","0.0005","15.7733","0.0006","93.479","0.002","101.463","0.002","106.683","0.002","2337.35","0.15","173","2","172.97","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0958","0.0776","","","0.218","0.2308","","","","","","1.042","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245929","18.0904","0.001","19.5106","0.0011","23.1862","0.0013","90","","100.466","0.003","90","","8047.5","0.8","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu Dy F30 N6 O18 -","- C65 H53 Cu Dy F30 N6 O18 -","- C260 H212 Cu4 Dy4 F120 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1255","0.0815","","","0.2432","0.273","","","","","","1.043","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245930","18.073","0.0014","19.5641","0.0015","23.334","0.002","90","","100.406","0.002","90","","8114.8","1.1","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu F30 N6 O18 Tb -","- C65 H53 Cu F30 N6 O18 Tb -","- C260 H212 Cu4 F120 N24 O72 Tb4 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1524","0.07","","","0.1622","0.2042","","","","","","1.018","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245931","18.0555","0.0015","19.5223","0.0016","23.2514","0.0017","90","","100.561","0.004","90","","8056.9","1.1","173","2","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 Cu F30 Gd N6 O18 -","- C65 H52 Cu F30 Gd N6 O18 -","- C260 H208 Cu4 F120 Gd4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1321","0.0785","","","0.2196","0.2555","","","","","","1.06","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245932","18.0246","0.0007","19.5088","0.0008","23.2859","0.001","90","","99.972","0.002","90","","8064.5","0.6","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 Cu F30 Ho N6 O18 -","- C65 H50 Cu F30 Ho N6 O18 -","- C260 H200 Cu4 F120 Ho4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0911","0.063","","","0.1861","0.2007","","","","","","1.049","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245933","15.9403","0.001","15.9403","0.001","31.662","0.002","90","","90","","90","","8045.1","0.9","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C4 H6.22 B0.22 F0.89 N0.89 Rh0.22 -","- C4 H6.22222 B0.222222 F0.888889 N0.888889 Rh0.222222 -","- C288 H448 B16 F64 N64 Rh16 -","72","2.25","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.0427","0.0387","","","0.1083","0.1118","","","","","","1.121","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7245934","13.617","0.001","17.292","0.0012","13.8897","0.001","90","","116.871","0.002","90","","2917.4","0.4","181","2","181","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H17 B0.5 Cl F2 N2 Rh0.5 -","- C13.5 H17 B0.5 Cl F2 N2 Rh0.5 -","- C108 H136 B4 Cl8 F16 N16 Rh4 -","8","2","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.0428","0.037","","","0.0895","0.0941","","","","","","1.035","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7245935","15.1914","0.0009","15.8408","0.0009","55.703","0.003","90","","93.157","0.002","90","","13384.2","1.3","175","2","175","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C127 H147 B2 Cl9 F8 N8 Rh2 -","- C127 H147 B2 Cl9 F8 N8 Rh2 -","- C508 H588 B8 Cl36 F32 N32 Rh8 -","4","1","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.1326","0.1248","","","0.3036","0.3069","","","","","","1.087","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7245936","9.4105","0.0014","9.5147","0.0014","9.8831","0.0015","106.078","0.002","94.529","0.002","92.03","0.002","846.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","1","0.5","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","","0.71073","MoKα","","0.027","0.0254","","","0.065","0.0658","","","","","","1.042","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245937","16.6143","0.0005","10.5019","0.0003","8.8282","0.0003","90","","103.725","0.004","90","","1496.38","0.08","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 F2 N4 O5 S2 -","- C8 H18 F2 N4 O5 S2 -","- C32 H72 F8 N16 O20 S8 -","4","1","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","x-ray","0.71073","MoKα","","0.0354","0.0306","","","0.0802","0.0841","","","","","","1.068","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245938","6.6346","0.0004","13.3837","0.0008","15.6515","0.0009","88.032","0.002","86.315","0.002","79.276","0.003","1362.33","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N4 S5 -","- C10 H4 N4 S5 -","- C40 H16 N16 S20 -","4","2","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0827","0.0579","","","0.144","0.1524","","","","","","1.096","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245939","7.5481","0.0002","7.7702","0.0002","12.5117","0.0003","74.645","0.001","85.362","0.002","69.681","0.001","663.54","0.03","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","1","0.5","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0248","0.0195","","","0.0402","0.0417","","","","","","1.102","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245940","9.8502","0.0005","10.6342","0.0005","14.8943","0.0007","90","","103.318","0.002","90","","1518.2","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H4 F4 N2 S5 -","- C12 H4 F4 N2 S5 -","- C48 H16 F16 N8 S20 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0543","0.0352","","","0.0637","0.0696","","","","","","1.038","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245941","11.0656","0.0004","8.8374","0.0003","12.0606","0.0004","90","","104.261","0.002","90","","1143.07","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 N4 S3 -","- C11 H6 N4 S3 -","- C44 H24 N16 S12 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0689","0.0495","","","0.1171","0.1254","","","","","","1.083","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245942","7.3298","0.0002","7.8942","0.0003","26.3901","0.0009","95.969","0.001","92.984","0.001","90.116","0.001","1516.63","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N12 S6 Se3 -","- C21 H6 N12 S6 Se3 -","- C42 H12 N24 S12 Se6 -","2","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0644","0.0371","","","0.0545","0.0595","","","","","","1.044","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245945","8.2636","0.0017","13.032","0.003","14.403","0.003","83.04","0.03","83.82","0.03","89.68","0.03","1530.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 Cl2 Co N8 O4 -","- C36 H20 Cl2 Co N8 O4 -","- C72 H40 Cl4 Co2 N16 O8 -","2","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","0.71073","MoKα","","0.1697","0.1306","","","0.3517","0.3813","","","","","","1.094","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245946","8.7689","0.0003","14.4511","0.0003","15.1302","0.0005","85.962","0.002","88.842","0.002","82.075","0.002","1894.17","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","1","0.5","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.0681","0.0648","","","0.2003","0.2055","","","","","","1.093","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245947","19.52525","0.00015","19.52525","0.00015","28.034","0.0002","90","","90","","120","","9255.69","0.12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H12 Cl Co N5 O6 -","- C18 H12 Cl Co N5 O6 -","- C324 H216 Cl18 Co18 N90 O108 -","18","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.044","0.0427","","","0.1427","0.1447","","","","","","1.105","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245949","29.9967","0.0004","17.1308","0.0002","14.7811","0.0002","90","","90","","90","","7595.53","0.17","100","0.14","100","0.14","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","","1.54184","CuKα","","0.0571","0.0518","","","0.1471","0.1504","","","","","","1.088","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245950","14.7259","0.0002","17.3191","0.0002","30.0077","0.0004","90","","90","","90","","7653.14","0.17","99.98","0.12","99.98","0.12","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","x-ray","1.54178","CuKα","","0.0443","0.0426","","","0.1232","0.1251","","","","","","1.049","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245951","9.089","0.003","11.287","0.003","13.926","0.004","90","","90","","90","","1428.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N5 S -","- C10 H23 N5 S -","- C40 H92 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0531","0.0441","","","0.1011","0.1061","","","","","","1.082","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245952","9.1606","0.0016","17.221","0.003","21.778","0.004","90","","90","","90","","3435.6","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N5 S -","- C15 H25 N5 S -","- C120 H200 N40 S8 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0644","0.0584","","","0.1515","0.1574","","","","","","1.053","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245953","10.9568","0.0006","13.7361","0.0007","16.5427","0.0008","90","","90","","90","","2489.7","0.2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N3 S2 -","- C9 H19 N3 S2 -","- C72 H152 N24 S16 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0341","0.03","","","0.0637","0.0652","","","","","","1.153","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245954","17.8848","0.0014","6.9574","0.0004","23.625","0.0017","90","","90","","90","","2939.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23.23 N3 S2 -","- C11 H23.2315 N3 S2 -","- C88 H185.852 N24 S16 -","8","2","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.078","0.0589","","","0.1132","0.1276","","","","","","1.097","","","","has coordinates,has disorder","281436","2023-03-04","18:15:58",""
"7245955","9.0734","0.0009","13.2194","0.0013","13.1558","0.0014","90","","107.249","0.004","90","","1507","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N5 S -","- C13 H21 N5 S -","- C52 H84 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0823","0.0748","","","0.1862","0.1937","","","","","","1.035","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245956","9.7566","0.001","23.006","0.002","13.329","0.0013","90","","109.053","0.002","90","","2827.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 N O -","- C38 H29 N O -","- C152 H116 N4 O4 -","4","1","","Zhuang, Hongfeng; Hou, Qin; Han, Feng; Lv, Haotian; Miao, Chengxia","Heteropolyacid catalyzed O-alkylation of oximes with alcohols via a carbocation in dimethyl carbonate and mechanism insight","Green Chemistry","2023","25","1","310","317","10.1039/D2GC03214G","","","0.71073","MoKα","","0.0939","0.0487","","","0.1079","0.1339","","","","","","1.0678","","","","has coordinates","281471","2023-03-04","18:24:00",""
"7245959","15.5585","0.0002","16.1849","0.0003","7.6725","0.0001","90","","100.337","0.002","90","","1900.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cu N8 O -","- C21 H13 Cu N8 O -","- C84 H52 Cu4 N32 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","1.54184","CuKα","","0.0373","0.0333","","","0.0954","0.0971","","","","","","1.035","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245960","10.6532","0.0005","16.4768","0.0008","13.9291","0.0007","90","","102.397","0.002","90","","2388","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu N9 O -","- C24 H20 Cu N9 O -","- C96 H80 Cu4 N36 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","0.71073","MoKα","","0.1251","0.0627","","","0.1575","0.1822","","","","","","1.07","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245961","23.862","0.003","23.862","0.003","7.2102","0.0014","90","","90","","90","","4105.5","1.1","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C2.25 H1.5 Cl0.06 Cu0.25 N O1.25 -","- C2.25 H1.5 Cl0.0625 Cu0.25 N O1.25 -","- C72 H48 Cl2 Cu8 N32 O40 -","32","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.0718","0.0663","","","0.1906","0.1986","","","","","","1.175","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245962","13.7089","0.0004","26.6171","0.0006","15.8127","0.0004","90","","90","","90","","5769.9","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H17 Cu2 N6.5 O6.5 -","- C20 H17 Cu2 N6.5 O6.5 -","- C160 H136 Cu16 N52 O52 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.062","0.055","","","0.155","0.1602","","","","","","1.069","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245963","26.3697","0.0017","13.479","0.0012","15.7382","0.0006","90","","90","","90","","5593.9","0.7","273","2","273.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H16 Cu2 N6.5 O7.5 -","- C20 H16 Cu2 N6.5 O7.5 -","- C160 H128 Cu16 N52 O60 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.1414","0.1254","","","0.3314","0.3426","","","","","","1.148","","","","has coordinates,has disorder","281457","2023-03-04","18:21:01",""
"7245964","8.9457","0.0006","9.3395","0.0006","8.9601","0.0006","90","","92.48","0.002","90","","747.9","0.09","100","2","100.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0593","0.0554","","","0.1487","0.1524","","","","","","1.049","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245965","6.9655","0.0003","9.4546","0.0005","14.4579","0.0007","90","","90.205","0.002","90","","952.13","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0494","0.0417","","","0.0954","0.099","","","","","","1.075","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245966","9.828","0.001","14.0136","0.0014","15.9826","0.0016","101.543","0.003","96.517","0.003","94.398","0.002","2131.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N4 O5 -","- C8 H12 N4 O5 -","- C64 H96 N32 O40 -","8","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0547","0.0535","","","0.1558","0.1572","","","","","","1.069","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245967","6.7614","0.0003","17.1948","0.0007","9.2263","0.0004","90","","102.643","0.002","90","","1046.65","0.08","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.043","0.0369","","","0.0964","0.1001","","","","","","1.048","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245968","8.1649","0.0007","40.876","0.003","10.4997","0.0008","90","","92.5","0.002","90","","3500.9","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C128 H176 N48 O32 -","16","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0652","0.0416","","","0.0896","0.0994","","","","","","1.02","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245969","9.9111","0.0009","10.2045","0.0009","15.5393","0.0014","81.938","0.004","74.159","0.004","62.779","0.003","1344.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C40 H72 N16 O24 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0367","0.0362","","","0.0996","0.1001","","","","","","1.076","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245970","4.6981","0.0002","14.0421","0.0006","14.3987","0.0008","90","","99.168","0.002","90","","937.76","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0436","0.0363","","","0.0889","0.093","","","","","","1.0525","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245971","9.3661","0.0003","36.0462","0.0012","7.5101","0.0003","90","","109.84","0.001","90","","2385.01","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C72 H112 N32 O40 -","8","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0621","0.0597","","","0.1507","0.1523","","","","","","1.0445","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245972","15.916","0.002","13.6511","0.0017","12.5195","0.0015","90","","107.201","0.004","90","","2598.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N7 O3 S2 Zn -","- C25 H24 N7 O3 S2 Zn -","- C100 H96 N28 O12 S8 Zn4 -","4","0.5","","Debsharma, Kingshuk; Dey, Sunanda; Das, Dhananjoy; Halder, Satyajit; Ortega-Castro, Joaquin; Sarkar, Sarita; Dutta, Basudeb; Maity, Suvendu; Jana, Kuladip; Frontera, Antonio; Ray, Partha Pratim; Sinha, Chittaranjan","Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity","CrystEngComm","2023","25","1","162","172","10.1039/D2CE01128J","","","0.71073","MoKα","","0.066","0.0489","","","0.1249","0.1385","","","","","","1.066","","","","has coordinates,has disorder","281408","2023-03-04","18:08:39",""
"7245973","11.7823","0.0009","17.2564","0.0012","8.5563","0.0005","90","","90","","90","","1739.7","0.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H13 N O2 S -","- C22 H13 N O2 S -","- C88 H52 N4 O8 S4 -","4","1","","Chen, Shiliu; Yan, Qinqin; Fan, Jie; Guo, Changyou; Li, Lijun; Liu, Zhong-Quan; Li, Zejiang","Photo-induced spirocyclization of biaryl ynones with ammonium thiocyanate: access to thiocyanate-featured spiro[5,5]trienones","Green Chemistry","2023","25","1","153","160","10.1039/D2GC03710F","","","0.71073","MoKα","","0.0415","0.0339","","","0.0732","0.0788","","","","","","1.049","","","","has coordinates","281472","2023-03-04","18:24:06",""
"7245974","9.705","0.001","16.0805","0.0014","13.7744","0.0013","90","","93.165","0.009","90","","2146.4","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F3 N3 -","- C26 H22 F3 N3 -","- C104 H88 F12 N12 -","4","1","","Sharma, Himanshi; Kumar, Manoj; Sethi, Aaftaab; Poonam,; Rathi, Brijesh","Metal-free construction of aminated isoquinoline frameworks from 2-(2-oxo-2-arylethyl) benzonitrile in an aqueous medium","Green Chemistry","2023","25","1","167","171","10.1039/D2GC04044A","","x-ray","0.71073","MoKα","","0.198","0.0777","","","0.1986","0.2893","","","","","","0.992","","","","has coordinates,has disorder","281470","2023-03-04","18:23:53",""
"7245980","6.4885","0.0006","14.7897","0.0014","13.388","0.0012","90","","97.518","0.003","90","","1273.7","0.2","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.54178","CuKα","","0.0655","0.0524","","","0.1632","0.1773","","","","","","1.3","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245981","6.445","","14.509","","13.037","","90","","97.96","","90","","1207.35","","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.45567","neutrons","","0.0422","0.0422","","","0.1011","0.1011","","","","","","1.293","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245982","6.4131","0.0001","14.5111","0.0002","13.5715","0.0002","90","","90.415","0.001","90","","1262.95","0.03","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Cl4 Fe N O1.5 -","- C7 H13 Cl4 Fe N O1.5 -","- C28 H52 Cl16 Fe4 N4 O6 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","0.71073","MoKα","","0.0238","0.0213","","","0.0467","0.0481","","","","","","1.051","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245990","15.6207","0.0007","11.8216","0.0005","17.4359","0.0008","90","","102.544","0.002","90","","3142.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N4 O7 Zn -","- C38 H26 N4 O7 Zn -","- C152 H104 N16 O28 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.11","0.0531","","","0.0856","0.109","","","","","","1.054","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245991","24.4085","0.0008","7.3774","0.0002","16.2629","0.0005","90","","91.409","0.001","90","","2927.6","0.15","170","","170","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O6 Zn -","- C34 H26 N4 O6 Zn -","- C136 H104 N16 O24 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0681","0.0484","","","0.0977","0.1062","","","","","","1.138","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245992","15.2073","0.0006","15.9899","0.0006","17.3921","0.0007","115.193","0.001","101.925","0.001","92.73","0.001","3700.1","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N8 O14 Zn2 -","- C92 H60 N8 O14 Zn2 -","- C184 H120 N16 O28 Zn4 -","2","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0977","0.0551","","","0.098","0.1188","","","","","","1.055","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245994","7.685","0.002","9.764","0.003","52.921","0.016","90","","90","","90","","3971","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 N6 O4 -","- C41 H56 N6 O4 -","- C164 H224 N24 O16 -","4","1","","Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha","Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid","CrystEngComm","2023","25","4","601","613","10.1039/D2CE01216B","","","0.71073","MoKα","","0.107","0.0599","","","0.1209","0.1385","","","","","","1.041","","","","has coordinates","281434","2023-03-04","18:15:21",""
"7245995","7.8327","0.0011","8.7671","0.0013","10.3665","0.0015","109.953","0.006","105.723","0.006","95.799","0.007","629.2","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl2 Cu N O4 -","- C11 H7 Cl2 Cu N O4 -","- C22 H14 Cl4 Cu2 N2 O8 -","2","1","","Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs","CrystEngComm","2023","25","5","813","821","10.1039/D2CE01331B","","","0.71073","MoKα","","0.0863","0.0841","","","0.2641","0.2653","","","","","","1.021","","","","has coordinates","281423","2023-03-04","18:12:37",""
"7245996","3.9181","0.0006","24.592","0.003","13.0589","0.0012","90","","96.386","0.011","90","","1250.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0706","0.0497","","","0.1209","0.1407","","","","","","1.058","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245997","8.0931","0.0003","14.2729","0.0005","11.3085","0.0006","90","","94.304","0.004","90","","1302.58","0.1","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0555","0.05","","","0.1432","0.1494","","","","","","1.057","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245998","7.4169","0.0002","14.166","0.003","11.8164","0.0003","90","","101.101","0.0011","90","","1218.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","0.71073","MoKα","","0.0444","0.0383","","","0.0978","0.102","","","","","","1.052","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7245999","7.4767","0.0012","10.7575","0.0017","17.909","0.003","75.646","0.014","83.673","0.013","79.935","0.014","1370.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N4 O6 -","- C32 H28 N4 O6 -","- C64 H56 N8 O12 -","2","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.1069","0.0567","","","0.1323","0.174","","","","","","1.005","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246000","6.8139","0.0001","24.3841","0.0005","7.4421","0.0001","90","","93.896","0.002","90","","1233.65","0.04","300.42","0.1","300.42","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0438","0.0397","","","0.1167","0.1203","","","","","","1.096","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246001","19.3362","0.0012","10.0456","0.0006","14.15","0.0007","90","","107.503","0.006","90","","2621.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","1.54184","CuKα","","0.0557","0.0433","","","0.1168","0.1316","","","","","","1.041","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7246005","40.3","0.006","40.3","0.006","5.176","0.001","90","","90","","120","","7280","2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H98 N12 O13 -","- C120 H98.0002 N12 O13 -","- C360 H294.001 N36 O39 -","3","0.166667","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.65","synchrotron","","0.071","0.0573","","","0.1746","0.1826","","","","","","1.144","","","","has coordinates,has disorder","281464","2023-03-04","18:22:51",""
"7246006","8.349","0.0017","16.722","0.003","11.913","0.002","90","","95.15","0.03","90","","1656.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.63","synchrotron","","0.0578","0.0545","","","0.1563","0.1594","","","","","","1.108","","","","has coordinates","281464","2023-03-04","18:22:51",""
"7246009","8.024","0.005","26.656","0.016","11.743","0.007","90","","107.018","0.009","90","","2402","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O13 Tb2 -","- C24 H14 O13 Tb2 -","- C96 H56 O52 Tb8 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.1026","0.0865","","","0.166","0.174","","","","","","1.135","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246010","9.9148","","9.9148","","7.48","","90","","90","","120","","636.796","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pentalead Tris(phosphate(V)) Iodide","","- I O12 P3 Pb5 -","- I O12 P3 Pb5 -","- I2 O24 P6 Pb10 -","2","0.166667","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","","","","","","","","","","","","","","","","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246011","5.1171","0.0006","7.2429","0.0007","11.4209","0.0011","85.712","0.005","77.27","0.005","80.208","0.005","406.56","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","1","0.5","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.0551","0.0395","","","0.0848","0.0917","","","","","","1.006","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246012","5.0894","0.0003","7.1344","0.0003","11.405","0.0004","86.127","0.003","77.266","0.004","81.424","0.004","399.15","0.03","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cu0.5 N2 O5 -","- C7 H7 Cu0.5 N2 O5 -","- C14 H14 Cu N4 O10 -","2","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0393","0.0359","","","0.0975","0.099","","","","","","1.093","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246013","10.5484","0.0002","22.2344","0.0006","7.2264","0.00018","90","","102.125","0.002","90","","1657.05","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N2 O8 -","- C17 H16 Cu N2 O8 -","- C68 H64 Cu4 N8 O32 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0287","0.026","","","0.0732","0.0745","","","","","","1.067","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246014","6.8727","0.0009","7.4757","0.001","10.7012","0.0013","75.161","0.012","88.164","0.011","77.878","0.012","519.48","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","1","","- C20 H19 I O6 S -","- C20 H19 I O6 S -","- C20 H19 I O6 S -","1","1","","Peng, Chuxiong; Gu, Fengyan; Lin, Xiaofeng; Ding, Ning; Zhan, Qichen; Cao, Peng; Cao, Tao","Highly selective catalyst- and additive-free iodosulfonylation of cyclopropenes in water","Green Chemistry","2023","25","2","671","677","10.1039/D2GC04296G","","x-ray","1.54184","CuKα","","0.1093","0.0875","","","0.212","0.2652","","","","","","1.056","","","","has coordinates","281476","2023-03-04","18:24:43",""
"7246015","23.393","0.005","8.6036","0.0019","13.597","0.003","90","","107.497","0.007","90","","2610","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N10 O6 Zn -","- C22 H28 N10 O6 Zn -","- C88 H112 N40 O24 Zn4 -","4","0.5","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0573","0.0363","","","0.0842","0.088","","","","","","0.972","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246016","9.473","0.004","13.927","0.006","13.293","0.005","90","","105.063","0.005","90","","1693.5","1.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl3 N5 O2 Zn -","- C11 H14 Cl3 N5 O2 Zn -","- C44 H56 Cl12 N20 O8 Zn4 -","4","1","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0608","0.0346","","","0.0715","0.0804","","","","","","0.971","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246017","6.9649","0.0004","13.9228","0.0009","21.536","0.0014","106.716","0.002","91.562","0.002","103.885","0.002","1931.2","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","4-4","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C66 H40 N4 O8 S12 -","2","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1116","0.0777","","","0.2687","0.292","","","","","","1.114","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246018","6.261","0.0003","19.6413","0.0009","32.8415","0.0015","90","","94.938","0.001","90","","4023.7","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C132 H80 N8 O16 S24 -","4","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1548","0.1219","","","0.3874","0.4128","","","","","","1.65","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246019","6.1","0.002","6.259","0.002","15.42","0.002","85.66","0.002","80.031","0.002","74.466","0.002","558.4","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","pregabalin","3-(aminomethyl)-5-methylhexanoic acid","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C16 H38 N2 O6 -","2","1","","Bosits, Miklós H.; Bereczki, Laura; Bombicz, Petra; Szalay, Zsófia; Pataki, Hajnalka; Demeter, Ádám","Design of diastereomeric salt resolution via multicomponent system characterization: a case study with hydrate formation","CrystEngComm","2023","25","4","641","652","10.1039/D2CE01490D","","","0.71073","MoKα","","0.1286","0.0921","","","0.2419","0.2678","","","","","","1.162","","","","has coordinates,has disorder","281428","2023-03-04","18:13:23",""
"7246020","18.40122","0.00019","17.9816","0.0002","22.503","0.0003","90","","103.67","0.0011","90","","7234.95","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C304 H336 N80 O64 -","16","4","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0461","0.0384","","","0.0995","0.1053","","","","","","1.032","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246021","7.85094","0.00007","17.15939","0.00018","14.25371","0.00012","90","","101.586","0.0008","90","","1881.1","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C76 H84 N20 O16 -","4","1","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0362","0.0347","","","0.096","0.0976","","","","","","1.048","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246024","16.053","0.003","7.0422","0.0014","21.68","0.004","90","","107.705","0.003","90","","2334.8","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Ag2 I3 N3 -","- C18 H20 Ag2 I3 N3 -","- C72 H80 Ag8 I12 N12 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0528","0.0382","","","0.0852","0.0917","","","","","","1.065","","","","has coordinates","281433","2023-03-04","18:15:13",""
"7246025","7.1992","0.0004","13.5373","0.0008","22.6977","0.0014","90","","90.181","0.001","90","","2212.1","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Ag2 I3 N2 O -","- C17 H21 Ag2 I3 N2 O -","- C68 H84 Ag8 I12 N8 O4 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0473","0.0426","","","0.1131","0.1156","","","","","","1.18","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246026","8.1248","0.0007","13.8287","0.0012","22.9897","0.0019","100.297","0.002","93.606","0.002","103.612","0.002","2455.1","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Ag5 I7 N4 O4 -","- C36 H46 Ag5 I7 N4 O4 -","- C72 H92 Ag10 I14 N8 O8 -","2","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0561","0.0401","","","0.0902","0.0967","","","","","","1.058","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246027","6.6663","0.0008","12.5943","0.0014","10.8361","0.0011","90","","91.856","0.01","90","","909.29","0.18","242.98","0.1","242.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","1","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.1196","0.1079","","","0.2922","0.3153","","","","","","1.106","","","","has coordinates","281417","2023-03-04","18:10:54",""
"7246028","12.6831","0.0003","10.8758","0.0002","6.7333","0.0002","90","","90","","90","","928.78","0.04","327.97","0.1","327.97","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0685","0.0662","","","0.2212","0.226","","","","","","1.125","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246029","12.6737","0.0004","10.861","0.0004","6.7004","0.0002","90","","90","","90","","922.3","0.05","292.96","0.1","292.96","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0787","0.0735","","","0.2213","0.2287","","","","","","1.111","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246035","14.192","0.004","3.6287","0.0009","15.065","0.003","90","","97.547","0.007","90","","769.1","0.3","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.1281","0.0791","","","0.1532","0.1726","","","","","","1.083","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246036","11.839","0.005","11.905","0.006","12.412","0.005","93.001","0.016","116.196","0.017","113.954","0.014","1376.1","1.1","360","2","360","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4441","0.1244","","","0.1771","0.3065","","","","","","0.937","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246037","11.855","0.004","11.927","0.005","12.429","0.004","93.021","0.016","116.163","0.016","113.993","0.013","1382.2","0.9","355","2","355","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.3987","0.1287","","","0.1479","0.2369","","","","","","0.929","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246038","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0651","0.0423","","","0.1499","0.0887","","","","","","1","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7246039","11.819","0.003","11.875","0.004","12.418","0.004","92.958","0.009","116.097","0.01","114.336","0.01","1367.1","0.8","310","","310","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.2744","0.1036","","","0.1699","0.2485","","","","","","0.955","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246040","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0063","0.0054","","","0.0166","0.0206","","","","","","0.997","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7246041","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0528","0.0294","","","0.0428","0.0331","","","","","","1.006","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7246042","11.849","0.007","11.915","0.007","12.432","0.008","92.987","0.016","116.174","0.014","114.04","0.015","1379.8","1.5","350","2","350","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4006","0.1358","","","0.2096","0.3477","","","","","","1.0497","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246043","7.37","0.02","8.24","0.02","11.73","0.03","79.49","0.09","89.55","0.11","89.28","0.12","700","3","363","2","363","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O10 -","- C14 H12 O10 -","- C28 H24 O20 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4601","0.0882","","","0.1326","0.2508","","","","","","0.892","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246045","10.9825","0.0001","22.9575","0.0002","23.0079","0.0002","90","","98.137","0.001","90","","5742.6","0.09","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Dy5 N3 O24 -","- C46 H59 Dy5 N3 O24 -","- C184 H236 Dy20 N12 O96 -","4","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","1.54184","CuKα","","0.0534","0.0486","","","0.1218","0.1244","","","","","","1.111","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246046","10.925","0.0003","11.2522","0.0004","16.2537","0.0005","96.322","0.003","98.838","0.002","111.745","0.003","1803.23","0.11","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","1","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0425","0.0293","","","0.0597","0.0658","","","","","","1.045","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246047","22.636","0.0003","16.7245","0.0002","23.9473","0.0003","90","","90","","90","","9065.9","0.2","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H84 Dy6 N6 O32 -","- C80 H96 Dy6 N8 O32 -","- C320 H384 Dy24 N32 O128 -","4","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.0887","0.0967","","","","","","1.127","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246048","14.1814","0.0005","15.2007","0.0007","17.7267","0.0006","79.139","0.003","89.186","0.003","64.683","0.004","3382.9","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O14 -","- C62 H64 Dy2 N6 O14 -","- C124 H128 Dy4 N12 O28 -","2","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0738","0.0471","","","0.0862","0.1062","","","","","","1.094","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246049","7.9459","0.0009","13.5525","0.0012","15.5352","0.0009","90","","90","","90","","1672.9","0.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 N O7 S -","- C13 H25 N O7 S -","- C52 H100 N4 O28 S4 -","4","1","","Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.","Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene","Green Chemistry","2023","25","2","606","613","10.1039/D2GC04117K","","","1.54184","CuKα","","0.0329","0.0307","","","0.0803","0.0823","","","","","","1.049","","","","has coordinates","281478","2023-03-04","18:24:56",""
"7246050","6.1009","0.0003","12.5179","0.0006","19.3009","0.0011","90","","90","","90","","1474.02","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 S -","- C13 H19 N O5 S -","- C52 H76 N4 O20 S4 -","4","1","","Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.","Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene","Green Chemistry","2023","25","2","606","613","10.1039/D2GC04117K","","","1.54178","CuKα","","0.0479","0.0431","","","0.1073","0.111","","","","","","1.074","","","","has coordinates,has disorder","281478","2023-03-04","18:24:56",""
"7246051","6.7731","0.0006","10.9956","0.0011","12.2301","0.0006","72.319","0.007","75.206","0.006","77.254","0.008","828.85","0.12","199.99","0.1","199.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Fe O2 -","- C23 H16 Fe O2 -","- C46 H32 Fe2 O4 -","2","1","","Lv, Hong; Wang, Xinchao; Hao, Yanzhao; Ma, Chao; Li, Shangda; Li, Gang; Zhang, Jian","Rhodium(ii)-catalyzed C–H carboxylation of ferrocenes with CO2","Green Chemistry","2023","25","2","554","559","10.1039/D2GC04337H","","x-ray","1.3405","GaKα","","0.0712","0.0563","","","0.139","0.161","","","","","","1.109","","","","has coordinates","281479","2023-03-04","18:25:11",""
"7246052","10.4854","0.0004","11.7036","0.0004","12.3518","0.0004","72.325","0.003","79.087","0.003","75.017","0.003","1384.97","0.09","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 Fe2 O6 -","- C36 H28 Fe2 O6 -","- C72 H56 Fe4 O12 -","2","1","","Lv, Hong; Wang, Xinchao; Hao, Yanzhao; Ma, Chao; Li, Shangda; Li, Gang; Zhang, Jian","Rhodium(ii)-catalyzed C–H carboxylation of ferrocenes with CO2","Green Chemistry","2023","25","2","554","559","10.1039/D2GC04337H","","x-ray","1.3405","GaKα","","0.0404","0.0373","","","0.0993","0.1011","","","","","","1.024","","","","has coordinates","281479","2023-03-04","18:25:11",""
"7246053","19.733","0.002","11.4151","0.001","45.913","0.004","90","","90.061","0.005","90","","10342.1","1.7","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H36 Co2 N4 O9.33 S -","- C30 H36 Co2 N4 O9.3333 S -","- C360 H432 Co24 N48 O112 S12 -","12","3","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0551","0.0418","","","0.1075","0.1152","","","","","","1.093","","","","has coordinates","281444","2023-03-04","18:17:39",""
"7246054","10.9212","0.0017","11.0738","0.0017","18.188","0.003","81.668","0.005","83.745","0.005","64.344","0.004","1959.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Co2 N4 O9 S2 -","- C34 H44 Co2 N4 O9 S2 -","- C68 H88 Co4 N8 O18 S4 -","2","1","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0581","0.0441","","","0.1348","0.157","","","","","","0.835","","","","has coordinates,has disorder","281444","2023-03-04","18:17:39",""
"7246055","11.9543","0.0002","8.3309","0.0001","24.4205","0.0004","90","","102.103","0.002","90","","2377.98","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10.8 H8.8 Cl0.4 N0.4 O0.8 S0.4 Se0.4 -","- C10.8 H8.8 Cl0.4 N0.4 O0.8 S0.4 Se0.4 -","- C108 H88 Cl4 N4 O8 S4 Se4 -","10","2.5","","Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay","100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen","Green Chemistry","2023","25","2","779","788","10.1039/D2GC04101D","","x-ray","1.54184","CuKα","","0.0403","0.0371","","","0.1043","0.1065","","","","","","1.116","","","","has coordinates","281475","2023-03-04","18:24:37",""
"7246056","17.9022","0.0003","6.0537","0.0001","34.1626","0.0006","90","","91.27","0.002","90","","3701.45","0.11","220","","220","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H14 I N S2 -","- C21 H14 I N S2 -","- C168 H112 I8 N8 S16 -","8","1","","Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay","100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen","Green Chemistry","2023","25","2","779","788","10.1039/D2GC04101D","","x-ray","1.54184","CuKα","","0.0451","0.0449","","","0.1001","0.1002","","","","","","1.182","","","","has coordinates,has disorder","281475","2023-03-04","18:24:37",""
"7246057","12.2143","0.0001","14.3299","0.0001","28.9827","0.0001","94.412","0.001","100.883","0.001","110.808","0.001","4599.03","0.07","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C99 H102 Cu3 N7 O8 S7 -","- C99 H102 Cu3 N7 O8 S7 -","- C198 H204 Cu6 N14 O16 S14 -","2","1","","Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars","Light emission mechanism in dimers of carbene-metal-amide complexes.","Physical chemistry chemical physics : PCCP","2023","25","4","3220","3231","10.1039/d2cp05237g","","x-ray","1.54184","CuKα","","0.0339","0.0326","","","0.0905","0.0916","","","","","","1.0354","","","","has coordinates","281602","2023-03-04","18:45:54",""
"7246058","13.1244","0.0003","35.681","0.0005","14.415","0.0003","90","","116.81","0.002","90","","6024.8","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121 H134 Cu4 N8 O8 S8 -","- C121 H134 Cu4 N8 O8 S8 -","- C242 H268 Cu8 N16 O16 S16 -","2","0.5","","Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars","Light emission mechanism in dimers of carbene-metal-amide complexes.","Physical chemistry chemical physics : PCCP","2023","25","4","3220","3231","10.1039/d2cp05237g","","x-ray","1.54184","CuKα","","0.0494","0.045","","","0.1256","0.1294","","","","","","1.032","","","","has coordinates,has disorder","281602","2023-03-04","18:45:55",""
"7246059","12.0496","0.0005","10.0022","0.0003","17.5237","0.0006","90","","100.888","0.002","90","","2073.98","0.13","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Cl2 N10 Ni -","- C36 H28 Cl2 N10 Ni -","- C72 H56 Cl4 N20 Ni2 -","2","0.5","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.065","0.0574","","","0.1625","0.1685","","","","","","1.059","","","","has coordinates","281424","2023-03-04","18:12:48",""
"7246060","8.9394","0.0009","9.4121","0.0009","10.6613","0.001","72.028","0.002","70.686","0.002","77.774","0.002","799.2","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.0919","0.0526","","","0.1261","0.1496","","","","","","1.022","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246061","7.623","0.011","10.098","0.015","11.325","0.017","110.36","0.03","103.14","0.03","95.07","0.03","782","2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Cl N5 -","- C18 H14 Cl N5 -","- C36 H28 Cl2 N10 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.1672","0.0803","","","0.2193","0.305","","","","","","0.942","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246062","24.2098","0.0006","10.0344","0.0002","17.4741","0.0004","90","","101.13","0.001","90","","4165.16","0.16","293","","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H41 Cl Co N10 O8 -","- C36 H41 Cl Co N10 O8 -","- C144 H164 Cl4 Co4 N40 O32 -","4","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.084","0.0674","","","0.2103","0.2266","","","","","","1.098","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246063","18.1682","0.0002","21.115","0.0002","23.715","0.0003","90.108","0.001","109.627","0.001","106.649","0.001","8161.1","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C266 H377 Cu12 Dy14 N30 O119.5 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","1","0.5","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0609","0.0555","","","0.1448","0.15","","","","","","1.018","","","","has coordinates,has disorder","280071","2023-01-01","00:18:39",""
"7246064","3.812","0.003","8.905","0.004","10.498","0.005","90","","95.02","0.04","90","","355","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-nitrobenzo[<i>c</i>][1,2,5]thiadiazole","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C12 H6 N6 O4 S2 -","2","1","","Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto","Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole","CrystEngComm","2023","25","5","859","865","10.1039/D2CE01619B","","x-ray","0.71073","MoKα","","0.0717","0.0478","","","0.1085","0.1229","","","","","","1.044","","","","has coordinates","281421","2023-03-04","18:11:36",""
"7246065","8.4102","0.0002","24.2114","0.0006","15.6405","0.0004","90","","91.32","0.001","90","","3183.92","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 O17.5 Zn3 -","- C32 H24 O17.5 Zn3 -","- C128 H96 O70 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0444","0.0356","","","0.1003","0.1062","","","","","","1.069","","","","has coordinates","280082","2023-01-03","23:34:18",""
"7246066","7.1877","0.0003","10.8583","0.0004","12.6345","0.0005","104.476","0.001","91.4","0.001","94.091","0.001","951.42","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N0 O9.5 Zn2 -","- C16 H12 O9.5 Zn2 -","- C32 H24 O19 Zn4 -","2","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0259","0.0252","","","0.085","0.0855","","","","","","1.022","","","","has coordinates,has disorder","280082","2023-01-03","23:34:18",""
"7246067","24.416","0.002","13.1343","0.0013","18.2143","0.0019","90","","97.684","0.003","90","","5788.6","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 N10 O15.5 Zn3 -","- C57 H56 N10 O15.5 Zn3 -","- C228 H224 N40 O62 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71076","MoKα","","0.0903","0.0665","","","0.1773","0.1925","","","","","","1.053","","","","has coordinates,has disorder","280082","2023-01-03","23:34:19",""
"7246068","6.7166","0.0012","9.3699","0.0017","12.656","0.002","68.667","0.017","79.026","0.015","72.896","0.016","706","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 Cl N3 -","- C17 H16 Cl N3 -","- C34 H32 Cl2 N6 -","2","1","","Liu, Qingqing; Ci, Chenggang; Zhao, He; Xie, Rong; Jiang, HuanFeng; Zhang, Min","Direct access to functional phenazines via oxidative annulation of anilines and o-phenylenediamines with a reusable cobalt catalyst","Green Chemistry","2023","25","2","678","683","10.1039/D2GC03878A","","x-ray","1.54184","CuKα","","0.0893","0.067","","","0.1771","0.1991","","","","","","1.047","","","","has coordinates","281480","2023-03-04","18:25:18",""
"7246069","3.82","0.0004","17.5109","0.0017","8.4469","0.0007","90","","99.527","0.008","90","","557.23","0.09","293","2","293","2","","","","","","","developing cottonseed when aflatoxin invades","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","","Liu, Xueyan; Yu, Chuanyu; Su, Biling; Zha, Daijun","Synthesis and properties of the kojic acid dimer and its potential for the treatment of Alzheimer's disease","RSC Medicinal Chemistry","2023","","","","","10.1039/D2MD00383J","","","1.3405","synchrotron","","0.0426","0.0371","","","0.0989","0.103","","","","","","1.055","","","","has coordinates","280086","2023-01-04","00:56:44",""
"7246070","14.8678","0.0012","7.571","0.0006","12.338","0.0008","90","","93.197","0.002","90","","1386.65","0.18","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-morpholinobenzylideneamino)phenol","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","SAKTHIKUMAR, KARUNGANATHAN; Kabuyaya Isamura, Bienfait; Maçedo Krause, Rui Werner","Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bio-active Mn(II), Co(II) and Ni(II) complexes - A combined experimental and theoretical measurements towards DNA/BSA/SARS-CoV-2 3CLpro","RSC Medicinal Chemistry","2023","","","","","10.1039/D2MD00394E","","","0.71073","MoKα","","0.1002","0.0694","","","0.1293","0.1442","","","","","","1.222","","","","has coordinates","280087","2023-01-04","00:57:05",""
"7246071","8.8211","0.0003","10.3594","0.0003","16.2494","0.0004","77.816","0.002","84.816","0.002","65.413","0.003","1319.84","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Br Cu N2 P -","- C30 H25 Br Cu N2 P -","- C60 H50 Br2 Cu2 N4 P2 -","2","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0528","0.0325","","","0.0758","0.0784","","","","","","1.028","","","","has coordinates","280092","2023-01-04","02:13:11",""
"7246072","33.966","0.002","9.1945","0.0004","20.1441","0.0013","90","","117.499","0.008","90","","5580.2","0.7","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Br Cu N3 O2 P -","- C30 H24 Br Cu N3 O2 P -","- C240 H192 Br8 Cu8 N24 O16 P8 -","8","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0942","0.0436","","","0.1028","0.1117","","","","","","0.914","","","","has coordinates","280092","2023-01-04","02:13:12",""
"7246073","9.875","0.0003","9.9744","0.0003","15.7009","0.0005","84.458","0.003","85.7","0.003","63.811","0.003","1380.34","0.08","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 Br2 Cu2 N4 O2 P2 -","- C62 H54 Br2 Cu2 N4 O2 P2 -","- C62 H54 Br2 Cu2 N4 O2 P2 -","1","0.5","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0957","0.0386","","","0.0686","0.0748","","","","","","0.859","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246074","34.8404","0.0019","9.235","0.0003","20.3611","0.001","90","","118.27","0.007","90","","5769.8","0.6","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Br Cu N2 O P -","- C32 H27 Br Cu N2 O P -","- C256 H216 Br8 Cu8 N16 O8 P8 -","8","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.1583","0.0686","","","0.1866","0.2071","","","","","","1.122","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246075","9.36873","0.00018","12.5828","0.0003","25.2196","0.0006","90","","97.584","0.002","90","","2947","0.12","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br Cu N3 P -","- C32 H30 Br Cu N3 P -","- C128 H120 Br4 Cu4 N12 P4 -","4","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0529","0.032","","","0.0722","0.0753","","","","","","1.035","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246076","34.1246","0.0018","9.336","0.0003","20.2331","0.0009","90","","119.101","0.007","90","","5632.3","0.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Br Cu N2 P -","- C31 H27 Br Cu N2 P -","- C248 H216 Br8 Cu8 N16 P8 -","8","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0874","0.0357","","","0.0679","0.0728","","","","","","0.832","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246077","23.2569","0.001","19.241","0.0008","28.2143","0.0014","90","","101.344","0.002","90","","12378.9","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H141 Co7 Dy N15 O43 -","- C102 H102 Co7 Dy N12 O28 -","- C408 H408 Co28 Dy4 N48 O112 -","4","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.1038","0.0648","","","0.1294","0.142","","","","","","1.083","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246078","11.9878","0.0017","13.463","0.0019","19.444","0.003","103.072","0.002","97.912","0.002","100.201","0.002","2956.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Co2 Dy2 N12 O25.5 -","- C44 H44 Co2 Dy2 N10 O23 -","- C88 H88 Co4 Dy4 N20 O46 -","2","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.0736","0.0457","","","0.0842","0.0895","","","","","","1.146","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246079","6.8","0.1","11.2","0.2","17.7","0.4","78.4","0.5","83.9","0.5","72.9","0.5","1261","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","triphenylene-TCNQ","","- C30 H16 N4 -","- C30 H16 N4 -","- C60 H32 N8 -","2","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.502","0.4104","","","0.6773","0.7287","","","","","","2.925","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246080","9.4","0.2","7.18","0.05","32.2","0.2","90","","98.4","0.5","90","","2150","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCNQF2, Triphenylene","7,7,8,8-tetracyanoquinodimethane, 9,10-Benzophenanthrene Isochrysene Benzo[l]phenanthrene","","- C30 H14 F2 N4 -","- C30 H14 F2 N4 -","- C120 H56 F8 N16 -","4","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.373","0.3066","","","0.6648","0.7159","","","","","","1.156","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246081","17.8","0.4","17.4","0.3","9.2","0.18","90","","130.3","0.5","90","","2173","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triphenylene-TCNQF4","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C120 H48 F16 N16 -","4","0.5","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.4199","0.3533","","","0.5815","0.6369","","","","","","2.461","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246082","20.123","0.005","21.977","0.006","20.646","0.006","90","","95.924","0.01","90","","9082","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 F10 N4 -","- C66 H76 F10 N4 -","- C264 H304 F40 N16 -","4","0.5","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1966","0.1377","","","0.3982","0.4714","","","","","","1.6081","","","","has coordinates","281422","2023-03-04","18:12:31",""
"7246083","22.241","0.008","10.099","0.004","20.932","0.007","90","","93.166","0.006","90","","4694","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Co N6 O4 -","- C24 H23 Co N6 O4 -","- C192 H184 Co8 N48 O32 -","8","1","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1112","0.0921","","","0.2291","0.244","","","","","","1.045","","","","has coordinates,has disorder","281422","2023-03-04","18:12:31",""
"7246084","8.94","0.005","12.233","0.005","14.394","0.005","87.621","0.005","72.178","0.005","77.266","0.005","1461.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N8 O10 Zn2 -","- C23 H20 N8 O10 Zn2 -","- C46 H40 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.071","0.0509","","","0.1156","0.1246","","","","","","1.091","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246085","8.1969","0.0008","9.3522","0.0009","10.159","0.001","104.479","0.003","113.104","0.003","105.177","0.003","634.41","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","1","0.5","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0432","0.04","","","0.1044","0.1063","","","","","","1.126","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246086","10.8004","0.0008","15.8656","0.0013","16.4535","0.0013","90","","91.071","0.003","90","","2818.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0301","0.0227","","","0.0534","0.0587","","","","","","1.105","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246087","8.7683","0.0007","12.2482","0.0009","14.431","0.0009","87.618","0.002","72.671","0.002","77.004","0.003","1441.05","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O10 Zn2 -","- C23 H18 N8 O10 Zn2 -","- C46 H36 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.1033","0.0899","","","0.24","0.2565","","","","","","1.02","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246088","10.8053","0.0012","15.8625","0.0017","16.4783","0.0018","90","","90.987","0.003","90","","2823.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0511","0.0379","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246089","8.4948","0.0008","8.8675","0.0008","9.1411","0.0009","62.811","0.002","72.947","0.002","87.063","0.002","582.78","0.1","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","1","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0149","0.0149","","","0.0406","0.0406","","","","","","1.09","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246090","10.639","0.003","11.7","0.002","13.178","0.003","77.2","0.01","75.01","0.04","66","0.01","1434.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl N5 O10 -","- C28 H32 Cl N5 O10 -","- C56 H64 Cl2 N10 O20 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0744","0.0546","","","0.1532","0.175","","","","","","0.929","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246091","9.761","0.001","10.491","0.001","14.285","0.002","69.04","0.01","80.93","0.01","82.77","0.01","1345.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl N5 O5 -","- C29 H30 Cl N5 O5 -","- C58 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0441","0.038","","","0.1005","0.1053","","","","","","1.022","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246092","11.189","0.001","11.669","0.001","12.054","0.002","102.4","0.05","113.18","0.04","108.06","0.05","1269.3","1.1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl N5 O5 -","- C25 H30 Cl N5 O5 -","- C50 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0836","0.057","","","0.1745","0.2038","","","","","","1.251","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246093","10.615","0.001","11.596","0.001","11.894","0.001","101.11","0.05","111.12","0.05","108.46","0.04","1215.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl N5 O5 -","- C24 H29 Cl N5 O5 -","- C48 H58 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0725","0.0533","","","0.1283","0.142","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246094","24.266","0.004","6.249","0.001","17.38","0.002","90","","110.14","0.04","90","","2474.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N5 O6 -","- C25 H27 Cl N5 O6 -","- C100 H108 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0824","0.0586","","","0.1279","0.1393","","","","","","1.044","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246095","14.917","0.001","10.099","0.001","16.199","0.001","90","","103.04","0.01","90","","2377.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N5 O6 -","- C24 H25 Cl N5 O6 -","- C96 H100 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0661","0.0454","","","0.1316","0.158","","","","","","0.982","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246096","18.068","0.009","9.615","0.005","16.759","0.008","90","","116.929","0.007","90","","2596","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl N7 O4 -","- C27 H28 Cl N7 O4 -","- C108 H112 Cl4 N28 O16 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1523","0.0728","","","0.1911","0.2466","","","","","","1.274","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246097","10.4","0.001","11.282","0.001","11.611","0.001","103.39","0.02","108.85","0.02","106.42","0.02","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cl N5 O5 -","- C24 H28 Cl N5 O5 -","- C48 H56 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0854","0.0686","","","0.1676","0.1808","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246098","12.954","0.005","10.892","0.004","19.82","0.009","90","","98.09","0.01","90","","2768.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl N5 O6 -","- C29 H30 Cl N5 O6 -","- C116 H120 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1324","0.0557","","","0.1357","0.1999","","","","","","0.96","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246099","10.37099","0.00005","5.98542","0.00003","7.72496","0.00004","90","","116.584","0.0005","90","","428.831","0.004","293","","293","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","K5Eu(MoO4)4","K5Eu(MoO4)4","","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I.","K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques","CrystEngComm","2023","25","5","835","847","10.1039/D2CE01107G","powder diffraction","x-ray","0.65297","synchrotron","","0.0983","0.0927","","0.1293","0.1284","","","","5.32","","","","","","","has coordinates","281425","2023-03-04","18:13:00",""
"7246100","8.278","0.003","13.527","0.004","12.503","0.004","90","","90","","90","","1400","0.8","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.0582","0.032","","","0.0541","0.0605","","","","","","1.027","","","","has coordinates","281448","2023-03-04","18:18:20",""
"7246101","6.3129","0.0003","30.172","0.0012","7.2937","0.0004","90","","90","","90","","1389.25","0.11","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.1015","0.0578","","","0.12","0.1354","","","","","","1.108","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246102","4.1264","0.0006","10.7891","0.0016","31.194","0.004","90","","90","","90","","1388.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.265","0.0966","","","0.1438","0.1874","","","","","","1.006","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246103","8.6693","0.0013","7.9704","0.0006","9.8968","0.0007","90","","105.644","0.009","90","","658.51","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.077","0.0413","","","0.0895","0.1108","","","","","","1.069","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246104","8.5435","0.0009","7.5706","0.0004","9.2993","0.0005","90","","111.2","0.006","90","","560.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0587","0.0366","","","0.0792","0.0883","","","","","","1.092","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246105","8.6626","0.001","7.9208","0.0004","9.782","0.0005","90","","106.599","0.007","90","","643.22","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.064","0.0369","","","0.0814","0.1008","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246106","8.496","0.005","7.51","0.002","9.249","0.003","90","","111.96","0.03","90","","547.3","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0595","0.0377","","","0.0849","0.0985","","","","","","1.139","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246107","8.6512","0.0013","7.8496","0.0006","9.6513","0.0008","90","","107.785","0.009","90","","624.08","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0554","0.0375","","","0.0728","0.082","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246108","8.6567","0.0016","7.8828","0.0007","9.7114","0.0009","90","","107.244","0.011","90","","632.91","0.15","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0599","0.0352","","","0.0783","0.0937","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246109","8.6419","0.001","7.8197","0.0004","9.6036","0.0006","90","","108.174","0.007","90","","616.61","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.058","0.0365","","","0.0849","0.0946","","","","","","1.042","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246110","8.672","0.0006","7.9508","0.0003","9.8213","0.0003","90","","106.235","0.004","90","","650.17","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.033","0.0253","","","0.0612","0.0642","","","","","","1.071","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246111","8.616","0.005","7.706","0.002","9.438","0.003","90","","109.78","0.03","90","","589.7","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0502","0.0348","","","0.071","0.076","","","","","","1.038","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246112","8.6285","0.0009","7.7531","0.0004","9.4944","0.0005","90","","109.104","0.005","90","","600.17","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.029","0.0236","","","0.0592","0.0622","","","","","","1.103","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246113","8.5889","0.0009","7.6517","0.0004","9.3709","0.0005","90","","110.256","0.005","90","","577.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0286","0.0236","","","0.0601","0.0624","","","","","","1.093","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246114","8.526","0.002","7.5312","0.0009","9.2654","0.0012","90","","111.625","0.013","90","","553.07","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0516","0.0333","","","0.0708","0.0797","","","","","","1.106","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246115","8.562","0.002","7.6058","0.0009","9.3306","0.0012","90","","110.868","0.013","90","","567.76","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0616","0.0397","","","0.0841","0.092","","","","","","1.045","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246116","8.574","0.0013","7.6158","0.0005","9.3347","0.0007","90","","110.657","0.007","90","","570.35","0.11","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0308","0.0262","","","0.0634","0.0659","","","","","","1.141","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246117","8.6334","0.0014","7.7827","0.0007","9.5468","0.0009","90","","108.729","0.01","90","","607.49","0.13","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.047","0.0298","","","0.0662","0.072","","","","","","1.067","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246118","8.6185","0.0007","7.7238","0.0003","9.4573","0.0004","90","","109.454","0.004","90","","593.61","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.031","0.0242","","","0.0626","0.0658","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246119","9.7476","0.00016","9.04653","0.00015","34.1643","0.0007","90","","90","","90","","3012.67","0.09","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","","1.54184","CuKα","","0.0433","0.041","","","0.1126","0.1155","","","","","","1.046","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246120","8.945","0.0002","9.2434","0.0002","10.47923","0.00019","111.862","0.002","93.627","0.002","103.67","0.002","770.29","0.03","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","","1.54187","CuKα","","0.0529","0.0511","","","0.1552","0.1573","","","","","","1.337","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246121","9.0368","0.0005","15.249","0.0007","24.7924","0.0006","90.484","0.003","93.805","0.003","90.777","0.004","3408.5","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H68 N4 O4 -","- C88 H68 N4 O4 -","- C176 H136 N8 O8 -","2","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","x-ray","1.54184","CuKα","","0.1985","0.1618","","","0.4055","0.4115","","","","","","2.6043","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246122","25.911","0.004","4.6748","0.0007","23.299","0.004","90","","104.436","0.002","90","","2733.1","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C104 H120 N8 O48 -","8","1","","Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László","Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant","Green Chemistry","2023","25","2","746","754","10.1039/D2GC04315G","","","0.71073","MoKα","","0.0746","0.0504","","","0.1097","0.1221","","","","","","1.035","","","","has coordinates","281477","2023-03-04","18:24:49",""
"7246123","6.5868","0.0015","8.2313","0.0018","11.126","0.003","106.015","0.003","97.159","0.003","95.387","0.003","570.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László","Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant","Green Chemistry","2023","25","2","746","754","10.1039/D2GC04315G","","","0.71073","MoKα","","0.0703","0.0449","","","0.1116","0.1289","","","","","","1.035","","","","has coordinates","281477","2023-03-04","18:24:49",""
"7246124","15.759","0.002","44.011","0.006","17.302","0.003","90","","108.84","0.008","90","","11357","3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H92 Cl14 Fe7 N16 O14 -","- C86 H92 Cl14 Fe7 N16 O14 -","- C344 H368 Cl56 Fe28 N64 O56 -","4","1","","Zhang, Guoqi; Zheng, Shengping; Neary, Michelle C.","An ionic Fe-based metal–organic-framework with 4′-pyridyl-2,2′:6′,2′′-terpyridine for catalytic hydroboration of alkynes","RSC Advances","2023","13","4","2225","2232","10.1039/D2RA08040K","","","0.71073","MoKα","","0.1533","0.1335","","","0.306","0.3157","","","","","","1.152","","","","has coordinates","280323","2023-01-13","02:00:42",""
"7246125","11.4061","0.0012","14.7072","0.0015","16.0129","0.0017","101.764","0.002","110.162","0.002","92.028","0.002","2452.3","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31.5 Cl9.5 Fe4 N8 O1.5 -","- C43 H31.5 Cl9.5 Fe4 N8 O1.5 -","- C86 H63 Cl19 Fe8 N16 O3 -","2","1","","Zhang, Guoqi; Zheng, Shengping; Neary, Michelle C.","An ionic Fe-based metal–organic-framework with 4′-pyridyl-2,2′:6′,2′′-terpyridine for catalytic hydroboration of alkynes","RSC Advances","2023","13","4","2225","2232","10.1039/D2RA08040K","","","0.71073","MoKα","","0.1451","0.0706","","","0.1662","0.2045","","","","","","1.026","","","","has coordinates,has disorder","280323","2023-01-13","02:00:43",""
"7246126","18.5249","0.0003","5.7447","0.0001","12.9917","0.0002","90","","108.935","0.002","90","","1307.76","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H N O S -","- C2.73684 H2.94737 N0.421053 O0.631579 S0.210526 -","- C52 H56 N8 O12 S4 -","19","4.75","","Zhao, Mingming; Guo, Yiming; Wang, Qi; Liu, Lanqi; Zhang, Shujie; Guo, Wei; Wu, Lin-Ping; Qiu, Fayang G.","Synthesis of 2-iminothiazolidin-4-ones via copper-catalyzed [2 + 1 + 2] tandem annulation","RSC Advances","2023","13","4","2220","2224","10.1039/D2RA07872D","","x-ray","1.54184","CuKα","","0.0363","0.0351","","","0.1016","0.1029","","","","","","1.111","","","","has coordinates","280324","2023-01-13","02:01:26",""
"7246127","8.1197","0.0006","8.363","0.0006","8.3902","0.0005","94.326","0.005","99.044","0.005","110.439","0.005","521.98","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-(4,6-diamino-1,3,5-triazin-2-yl)pyridin-2(1H)-one methanol solvate","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0555","0.0427","","","0.1127","0.1227","","","","","","1.025","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246128","7.8788","0.0003","8.8064","0.0003","8.8494","0.0003","115.81","0.001","99.266","0.002","97.192","0.002","532.2","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 I N6 O -","- C8 H9 I N6 O -","- C16 H18 I2 N12 O2 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0433","0.0426","","","0.12","0.1217","","","","","","1.143","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246129","8.0907","0.0005","8.6941","0.0005","10.2522","0.0007","72.622","0.003","88.326","0.003","68.746","0.003","638.89","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O3 -","- C11 H16 N6 O3 -","- C22 H32 N12 O6 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0509","0.0437","","","0.1178","0.1256","","","","","","1.051","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246130","9.9536","0.0004","10.7657","0.0004","13.1905","0.0005","80.79","0.002","76.962","0.002","63.772","0.002","1232.3","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N6 O2 -","- C11 H14 N6 O2 -","- C44 H56 N24 O8 -","4","2","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0451","0.0416","","","0.1217","0.1259","","","","","","1.072","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246131","11.8893","0.0001","18.4452","0.0002","12.5023","0.0001","90","","93.4284","0.0004","90","","2736.85","0.04","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 N12 O7 -","- C22 H34 N12 O7 -","- C88 H136 N48 O28 -","4","0.5","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0381","0.0374","","","0.0987","0.0998","","","","","","1.07","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246132","22.3831","0.0005","6.8419","0.0002","20.4027","0.0005","90","","115.981","0.0014","90","","2808.77","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O4 -","- C11 H18 N6 O4 -","- C88 H144 N48 O32 -","8","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0351","0.0337","","","0.0899","0.0916","","","","","","1.035","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246133","8.6213","0.0005","36.7554","0.0016","9.9466","0.0006","90","","113.343","0.007","90","","2893.9","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 O6 -","- C35 H28 N2 O6 -","- C140 H112 N8 O24 -","4","1","","Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine","CrystEngComm","2023","25","6","909","912","10.1039/D2CE01592G","","","0.71073","MoKα","","0.0989","0.0633","","","0.1399","0.1597","","","","","","1.075","","","","has coordinates,has disorder","281447","2023-03-04","18:18:13",""
"7246134","29.7748","0.0002","20.1297","0.0001","20.6698","0.0001","90","","108.433","0.001","90","","11753","0.13","100","0.9","100","0.9","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 La N4 O8 -","- C57 H54 F17 La N4 O8 -","- C456 H432 F136 La8 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0281","0.0277","","","0.0707","0.0709","","","","","","1.025","","","","has coordinates,has disorder","280341","2023-01-14","01:45:27",""
"7246135","29.75","0.0006","20.1395","0.0005","20.6309","0.0004","90","","108.312","0.002","90","","11735","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 La N4 O8 -","- C57 H54 F17 La N4 O8 -","- C456 H432 F136 La8 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0679","0.058","","","0.1506","0.1588","","","","","","1.071","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246136","29.487","0.0004","20.0974","0.0003","20.6981","0.0003","90","","108.271","0.001","90","","11647.5","0.3","100","1","100","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 N4 O8 Sm -","- C57 H54 F17 N4 O8 Sm -","- C456 H432 F136 N32 O64 Sm8 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0601","0.0514","","","0.1376","0.1441","","","","","","1.083","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246137","29.4616","0.0002","20.0633","0.0001","20.6966","0.0001","90","","108.251","0.001","90","","11618.3","0.13","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Eu F17 N4 O8 -","- C57 H54 Eu F17 N4 O8 -","- C456 H432 Eu8 F136 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0453","0.0429","","","0.1135","0.1153","","","","","","1.054","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246138","8.3761","0.0005","8.4007","0.0005","16.0336","0.0009","98.767","0.002","99.704","0.002","91.221","0.002","1097.79","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 F5 O4 -","- C24 H21 F5 O4 -","- C48 H42 F10 O8 -","2","1","","Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar","Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes","Green Chemistry","2023","25","3","1014","1022","10.1039/D2GC04684A","","","0.71073","MoKα","","0.1089","0.0574","","","0.1445","0.1702","","","","","","1.029","","","","has coordinates","281485","2023-03-04","18:26:09",""
"7246139","7.0243","0.0006","20.574","0.0016","11.0931","0.0009","90","","91.591","0.004","90","","1602.5","0.2","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar","Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes","Green Chemistry","2023","25","3","1014","1022","10.1039/D2GC04684A","","","0.71073","MoKα","","0.0487","0.0428","","","0.1194","0.1244","","","","","","1.0649","","","","has coordinates","281485","2023-03-04","18:26:10",""
"7246140","7.908","0.0006","9.8092","0.0005","17.5752","0.0009","86.93","0.004","78.372","0.005","69.784","0.006","1252.89","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O8 -","- C33 H24 O8 -","- C66 H48 O16 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0672","0.0527","","","0.146","0.1547","","","","","","1.059","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246141","27.4335","0.0007","18.9368","0.0006","12.766","0.0005","90","","90","","90","","6632","0.4","100","0.1","100","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H26 Cd2 O11 -","- C33 H26 Cd2 O11 -","- C264 H208 Cd16 O88 -","8","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0889","0.065","","","0.1674","0.1821","","","","","","1.045","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246142","7.794","0.0003","14.7078","0.0006","15.9272","0.0006","67.884","0.004","86.175","0.003","82.86","0.003","1677.93","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 Cd2 O16 -","- C33 H36 Cd2 O16 -","- C66 H72 Cd4 O32 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0588","0.0441","","","0.1019","0.1076","","","","","","1.035","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246143","8.7984","0.0001","16.7929","0.0002","16.479","0.0002","90","","98.082","0.001","90","","2410.6","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br4 -","- C29 H20 Br4 -","- C116 H80 Br16 -","4","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0247","0.0208","","","0.0497","0.0509","","","","","","1.05","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246144","18.6508","0.0003","5.8796","0.0001","14.7464","0.0003","90","","94.7151","0.0007","90","","1611.61","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 1-hydroxy-1,3,3a,3a1,5a,5a1,6,8,8a,10a-decahydro-3a,5a:8a,10adiepoxyisochromeno[ 6,5,4-def]isochromene-4,5-dicarboxylate","","- C18 H18 O9 -","- C18 H18 O9 -","- C72 H72 O36 -","4","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","","0.71073","MoKα","","0.0391","0.028","","","0.0647","0.0707","","","","","","1.038","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246145","10.361","0.0002","13.355","0.0003","13.4649","0.0003","62.271","0.002","70.487","0.002","70.729","0.002","1520.04","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","(5-Benzoyl-4-(methoxycarbonyl)-3a1,6a-dihydro-1H,3H,6H,7H-3a,6:7,9adiepoxybenzo[ de]isochromene-6,7-diyl)bis(methylene) dibenzoate","","- C37 H30 O10 -","- C37 H30 O10 -","- C74 H60 O20 -","2","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","x-ray","1.54184","CuKα","","0.0585","0.0564","","","0.1665","0.1688","","","","","","1.047","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246146","10.5648","0.0003","16.247","0.0005","12.4776","0.0004","90","","110.308","0.001","90","","2008.6","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dimethyl 6-(acetoxymethyl)-7-(hydroxy(methoxy)methyl)-3a1,6a-dihydro- 1H,3H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-4,5-dicarboxylate","","- C21 H24 O11 -","- C21 H24 O11 -","- C84 H96 O44 -","4","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","","0.71073","MoKα","","0.0563","0.0372","","","0.0816","0.0912","","","","","","1.049","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246147","9.1956","0.0001","33.6799","0.0005","10.508","0.0001","90","","97.813","0.001","90","","3224.19","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 6,7-bis((benzoyloxy)methyl)-2-benzyl-2,3,3a1,6a-tetrahydro-1H,6H,7H- 3a,6:7,9a-diepoxybenzo[de]isoquinoline-4,5-dicarboxylate","","- C39 H35 N O10 -","- C39 H35 N O10 -","- C156 H140 N4 O40 -","4","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","x-ray","1.54184","CuKα","","0.0693","0.064","","","0.1588","0.1613","","","","","","1.089","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246148","8.8004","0.0004","18.927","0.0006","11.5824","0.0004","90","","105.01","0.004","90","","1863.4","0.13","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H27 N3 O6 -","- C43 H27 N3 O6 -","- C86 H54 N6 O12 -","2","0.5","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.0688","0.0558","","","0.1585","0.1709","","","","","","1.032","","","","has coordinates,has disorder","281604","2023-03-04","18:46:26",""
"7246149","19.8607","0.0012","18.497","0.0007","12.9906","0.0006","90","","102.711","0.005","90","","4655.3","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H57 Co N3 O6 -","- C56 H57 Co N3 O6 -","- C224 H228 Co4 N12 O24 -","4","0.5","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.1058","0.076","","","0.1875","0.2108","","","","","","1.063","","","","has coordinates","281604","2023-03-04","18:46:27",""
"7246150","13.8716","0.0002","13.8716","0.0002","33.7979","0.0008","90","","90","","120","","5632.14","0.18","120","","120","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C46 H27 Co N3 O6 -","- C46.0002 H27 Co N3 O6 -","- C276.001 H162 Co6 N18 O36 -","6","0.166667","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.0607","0.0557","","","0.1662","0.1712","","","","","","1.069","","","","has coordinates,has disorder","281604","2023-03-04","18:46:27",""
"7246151","10.422","0.003","17.54","0.006","10.109","0.003","90","","90","","90","","1847.9","1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tris(4-azidophenyl)methanol","","- C19 H13 N9 O -","- C19 H13 N9 O -","- C76 H52 N36 O4 -","4","1","","Qiu, Xujun; Brückel, Julian; Zippel, Christoph; Nieger, Martin; Biedermann, Frank; Bräse, Stefan","Tris(4-azidophenyl)methanol – a novel and multifunctional thiol protecting group","RSC Advances","2023","13","4","2483","2486","10.1039/D2RA05997E","","","0.71073","MoKα","","0.0463","0.0378","","","0.0918","0.0984","","","","","","1.029","","","","has coordinates","280414","2023-01-18","04:08:48",""
"7246152","10.95","0.002","7.2595","0.0015","9.637","0.0019","90","","97.03","0.03","90","","760.3","0.3","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 F4 N10 -","- C10 H8 Cl2 F4 N10 -","- C20 H16 Cl4 F8 N20 -","2","0.5","","Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping","Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks","RSC Advances","2023","13","4","2600","2610","10.1039/D2RA06646G","","","0.71073","MoKα","","0.0491","0.0469","","","0.1049","0.1062","","","","","","1.133","","","","has coordinates,has disorder","280415","2023-01-18","04:09:41",""
"7246153","7.6743","0.0013","8.169","0.0014","11.2815","0.0019","92.753","0.004","93.733","0.004","93.499","0.004","703.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Cl2 F2 N8 -","- C9 H10 Cl2 F2 N8 -","- C18 H20 Cl4 F4 N16 -","2","1","","Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping","Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks","RSC Advances","2023","13","4","2600","2610","10.1039/D2RA06646G","","","0.71073","MoKα","","0.0571","0.0419","","","0.1196","0.1343","","","","","","0.972","","","","has coordinates","280415","2023-01-18","04:09:41",""
"7246154","7.8331","0.0001","8.6308","0.0001","11.2924","0.0001","100.654","0.001","94.011","0.001","94.851","0.001","744.725","0.015","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 F4 N8 -","- C10 H8 Cl2 F4 N8 -","- C20 H16 Cl4 F8 N16 -","2","1","","Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping","Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks","RSC Advances","2023","13","4","2600","2610","10.1039/D2RA06646G","","","0.71073","MoKα","","0.0671","0.0508","","","0.1611","0.1784","","","","","","0.996","","","","has coordinates","280415","2023-01-18","04:09:41",""
"7246155","10.493","0.005","15.94","0.005","28.368","0.005","95.591","0.005","94.067","0.005","102.427","0.005","4591","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ca2 N24 O34 S4 -","- C64 H60 Ca2 N24 O34 S4 -","- C128 H120 Ca4 N48 O68 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1151","0.0681","","","0.1798","0.2001","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246156","15.569","0.005","17.153","0.005","19.58","0.005","106.089","0.005","104.52","0.005","103.928","0.005","4585","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ba2 N24 O31 S4 -","- C64 H60 Ba2 N24 O31 S4 -","- C128 H120 Ba4 N48 O62 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.0521","0.0377","","","0.0974","0.1033","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246157","20.282","0.005","15.713","0.005","24.849","0.005","90","0.005","101.101","0.005","90","0.005","7771","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 N24 O22 S2 Sr -","- C52 H51 N24 O22 S2 Sr -","- C208 H204 N96 O88 S8 Sr4 -","4","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1645","0.11","","","0.2208","0.2387","","","","","","1.015","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246158","42.6814","0.0013","11.4302","0.0003","19.993","0.0006","90","","90.434","0.002","90","","9753.4","0.5","210","1","210","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 O9 Os3 P2 Sb -","- C52 H37 O9 Os3 P2 Sb -","- C416 H296 O72 Os24 P16 Sb8 -","8","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0296","0.0215","","","0.0448","0.0479","","","","","","1.029","","","","has coordinates","280427","2023-01-19","02:04:27",""
"7246159","19.6929","0.001","13.9599","0.0007","20.1424","0.001","90","","113.639","0.001","90","","5072.7","0.4","210","1","210","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 Cl2 O7 Os3 P2 Sb -","- C51 H39 Cl2 O7 Os3 P2 Sb -","- C204 H156 Cl8 O28 Os12 P8 Sb4 -","4","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0522","0.029","","","0.0498","0.0559","","","","","","1.025","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246160","11.9842","0.0005","12.2615","0.0004","22.7266","0.0009","101.908","0.002","98.475","0.002","94.176","0.002","3213.6","0.2","193","1","193","1","","","","","","","","6","P -1","-P 1","2","","","","- C69 H52 O8 Os3 P2 Sb2 -","- C69 H52 O8 Os3 P2 Sb2 -","- C138 H104 O16 Os6 P4 Sb4 -","2","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0482","0.0298","","","0.0589","0.0642","","","","","","1.026","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246161","15.1736","0.0004","20.3459","0.0006","21.9689","0.0006","90","","90","","90","","6782.3","0.3","210","1","210","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H52 O7 Os3 P2 Sb2 -","- C68 H52 O7 Os3 P2 Sb2 -","- C272 H208 O28 Os12 P8 Sb8 -","4","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0286","0.0265","","","0.0596","0.0603","","","","","","1.116","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246162","5.2907","0.0009","14.516","0.002","23.891","0.004","90","","90","","90","","1834.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C72 H88 N8 O16 S8 -","8","2","","Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli","Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide","RSC Advances","2023","13","4","2631","2634","10.1039/D2RA07451F","","x-ray","0.71073","MoKα","","0.0576","0.0503","","","0.1052","0.1111","","","","","","1.036","","","","has coordinates","280428","2023-01-19","02:05:26",""
"7246163","6.197","0.0004","9.2995","0.0006","13.4406","0.0008","93.647","0.005","95","0.005","103.04","0.005","748.95","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","2","","Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli","Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide","RSC Advances","2023","13","4","2631","2634","10.1039/D2RA07451F","","x-ray","0.71073","MoKα","","0.0487","0.042","","","0.0999","0.1058","","","","","","1.043","","","","has coordinates","280428","2023-01-19","02:05:30",""
"7246164","7.0706","0.0015","18.748","0.004","12.612","0.003","90","","105.578","0.005","90","","1610.4","0.6","100","2","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 N O -","- C20 H24 N O -","- C80 H96 N4 O4 -","4","2","","Ajaz, Aliya; Shaheen, Muhammad Ashraf; Ahmed, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Karim, Abdul; Ahmad, Nazir; Rehman, Muhammad Fayyaz ur","Synthesis of an amantadine-based novel Schiff base and its transition metal complexes as potential ALP, α-amylase, and α-glucosidase inhibitors","RSC Advances","2023","13","5","2756","2767","10.1039/D2RA07051K","","x-ray","0.71073","MoKα","","0.2849","0.1437","","","0.3506","0.4384","","","","","","1.258","","","","has coordinates","280429","2023-01-19","02:06:14",""
"7246165","23.99","0.008","10.421","0.004","13.701","0.004","90","","95.295","0.005","90","","3411","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 N2 O3 Zn -","- C40 H49 N2 O3 Zn -","- C160 H196 N8 O12 Zn4 -","4","1","","Ajaz, Aliya; Shaheen, Muhammad Ashraf; Ahmed, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Karim, Abdul; Ahmad, Nazir; Rehman, Muhammad Fayyaz ur","Synthesis of an amantadine-based novel Schiff base and its transition metal complexes as potential ALP, α-amylase, and α-glucosidase inhibitors","RSC Advances","2023","13","5","2756","2767","10.1039/D2RA07051K","","x-ray","0.71073","MoKα","","0.1896","0.078","","","0.1917","0.2918","","","","","","1.076","","","","has coordinates","280429","2023-01-19","02:06:15",""
"7246166","18.0732","0.0003","8.28431","0.00018","20.8875","0.0004","90","","90","","90","","3127.36","0.1","169.99","0.1","169.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C152 H152 N8 O24 -","8","1","","Wei, Wan-Jie; Zhan, Lei; Jiang, Cai-Na; Tang, Hai-Tao; Pan, Ying-Ming; Ma, Xian-Li; Mo, Zu-Yu","Electrochemical oxidative cascade cyclization of olefinic amides and alcohols leading to the synthesis of alkoxylated 4H-3,1-benzoxazines and indolines","Green Chemistry","2023","25","3","928","933","10.1039/D2GC04645H","","x-ray","1.54184","CuKα","","0.0425","0.04","","","0.1012","0.1034","","","","","","1.05","","","","has coordinates","281482","2023-03-04","18:25:33",""
"7246167","10.1902","0.0001","13.3195","0.0001","18.9127","0.0002","70.363","0.001","83.801","0.001","69.417","0.001","2263.21","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 B F3 N P -","- C26 H22 B F3 N P -","- C104 H88 B4 F12 N4 P4 -","4","2","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0424","0.0402","","","0.1093","0.1115","","","","","","1.036","","","","has coordinates","283499","2023-05-05","03:32:21",""
"7246168","9.4958","0.0001","21.5696","0.0002","11.1131","0.0001","90","","107.745","0.001","90","","2167.9","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F4 P -","- C25 H22 B F4 P -","- C100 H88 B4 F16 P4 -","4","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0384","0.0355","","","0.0886","0.0903","","","","","","1.051","","","","has coordinates","283499","2023-05-05","03:32:24",""
"7246169","9.5349","0.0002","14.5833","0.0003","16.4465","0.0003","90","","98.44","0.002","90","","2262.12","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B N2 P -","- C27 H24 B N2 P -","- C108 H96 B4 N8 P4 -","4","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0435","0.0382","","","0.0984","0.1021","","","","","","1.043","","","","has coordinates","283499","2023-05-05","03:32:35",""
"7246170","13.3421","0.0001","17.2505","0.0002","20.2011","0.0002","90","","93.974","0.001","90","","4638.26","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 B F2 N2 P -","- C27 H22 B F2 N2 P -","- C216 H176 B8 F16 N16 P8 -","8","2","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0406","0.0351","","","0.0891","0.0931","","","","","","0.742","","","","has coordinates","283499","2023-05-05","03:32:36",""
"7246171","13.4269","0.0001","17.485","0.0001","20.6372","0.0002","90","","90","","90","","4844.98","0.07","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H23 B N3 P -","- C28 H23 B N3 P -","- C224 H184 B8 N24 P8 -","8","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0387","0.0358","","","0.0901","0.0921","","","","","","1.03","","","","has coordinates","283499","2023-05-05","03:32:46",""
"7246172","13.4477","0.0001","17.6586","0.0002","20.6374","0.0002","90","","90","","90","","4900.71","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 B F N3 P -","- C28 H22 B F N3 P -","- C224 H176 B8 F8 N24 P8 -","8","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0373","0.0348","","","0.089","0.0908","","","","","","1.048","","","","has coordinates","283499","2023-05-05","03:32:48",""
"7246173","8.9003","0.0001","11.636","0.0002","13.5576","0.0002","111.524","0.001","90.565","0.001","100.936","0.001","1277.58","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 B N4 P -","- C29 H22 B N4 P -","- C58 H44 B2 N8 P2 -","2","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0377","0.0362","","","0.0929","0.0941","","","","","","1.088","","","","has coordinates","283499","2023-05-05","03:32:57",""
"7246174","9.9936","0.0001","13.0398","0.0001","18.8613","0.0001","70.179","0.001","83.275","0.001","71.674","0.001","2194.86","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 B N P -","- C26 H25 B N P -","- C104 H100 B4 N4 P4 -","4","2","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1076","0.1095","","","","","","1.025","","","","has coordinates","283499","2023-05-05","03:32:57",""
"7246175","9.8978","0.0001","21.7519","0.0002","21.8961","0.0003","92.669","0.001","90.076","0.001","92.765","0.001","4703.52","0.09","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 B F N2 P -","- C27 H23 B F N2 P -","- C216 H184 B8 F8 N16 P8 -","8","4","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0723","0.0664","","","0.1716","0.1749","","","","","","1.096","","","","has coordinates","283499","2023-05-05","03:32:57",""
"7246176","6.8367","0.0003","28.7426","0.0013","9.8648","0.0006","90","","109.255","0.005","90","","1830.04","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N2 O P Se -","- C18 H23 N2 O P Se -","- C72 H92 N8 O4 P4 Se4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","1.54184","CuKα","","0.0564","0.0474","","","0.1164","0.1214","","","","","","1.198","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246177","10.242","0.012","15.493","0.018","11.726","0.013","90","","90","","90","","1861","4","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","0.71073","MoKα","","0.4657","0.1139","","","0.1944","0.3236","","","","","","0.915","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246178","7.6068","0.0002","19.9624","0.0007","14.6284","0.0005","90","","91.245","0.003","90","","2220.8","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Al N2 O P Se -","- C20 H28 Al N2 O P Se -","- C80 H112 Al4 N8 O4 P4 Se4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","1.54184","CuKα","","0.053","0.0373","","","0.093","0.1","","","","","","1.008","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246179","14.1432","0.0005","7.1641","0.0002","27.1954","0.0016","90","","94.638","0.004","90","","2746.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Al2 N2 O P Se -","- C23 H37 Al2 N2 O P Se -","- C92 H148 Al8 N8 O4 P4 Se4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","0.71073","MoKα","","0.0919","0.0484","","","0.0925","0.1094","","","","","","1.028","","","","has coordinates","280455","2023-01-20","02:06:16",""
"7246180","12.3693","0.0007","13.7755","0.0008","13.7884","0.0008","66.873","0.002","73.72","0.002","84.454","0.002","2073.8","0.2","279","2","279","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","1","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0636","0.057","","","0.1542","0.1596","","","","","","1.07","","","","has coordinates,has disorder","283220","2023-05-05","01:31:40",""
"7246181","13.2416","0.0015","13.5875","0.0017","16.296","0.002","87.365","0.005","74.269","0.004","88.263","0.005","2818.7","0.6","147","2","147","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag Mo12 N8 O46 P -","- C26 H26 Ag Mo12 N8 O46 P -","- C52 H52 Ag2 Mo24 N16 O92 P2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0503","0.0357","","","0.0747","0.0822","","","","","","1.051","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246182","13.2571","0.0005","13.5874","0.0004","16.3513","0.0006","87.088","0.001","74.542","0.001","88.095","0.001","2834.55","0.17","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag N8 O46 P W12 -","- C26 H26 Ag N8 O46 P W12 -","- C52 H52 Ag2 N16 O92 P2 W24 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0558","0.0345","","","0.0622","0.0707","","","","","","1.082","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246183","13.1265","0.0005","13.5756","0.0005","16.1574","0.0007","87.674","0.002","74.37","0.002","87.989","0.002","2769.62","0.19","147","2","147","","","","","","","","","7","P -1","-P 1","2","","triclinic","","- C26 H27 Ag Mo12 N8 O46 Si -","- C26 H26 Ag Mo12 N8 O46 Si -","- C52 H52 Ag2 Mo24 N16 O92 Si2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","x-ray","0.71076","MoKα","","0.0621","0.0435","","","0.1091","0.1235","","","","","","1.059","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246184","17.2241","0.0011","13.6928","0.0007","17.4462","0.0011","90","","97.709","0.002","90","","4077.4","0.4","295","2","295.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H47 N16 Ni2 O52 P W12 -","- C52 H46 N16 Ni2 O52 P W12 -","- C104 H92 N32 Ni4 O104 P2 W24 -","2","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0979","0.0956","","","0.2655","0.2672","","","","","","1.188","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246185","7.7837","0.0001","31.1021","0.0004","8.6447","0.0001","90","","90","","90","","2092.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","","Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang","Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane","Green Chemistry","2023","25","3","1120","1127","10.1039/D2GC04689J","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1222","0.1231","","","","","","1.061","","","","has coordinates","281483","2023-03-04","18:25:39",""
"7246186","11.2","0.0002","7.8745","0.0001","11.8582","0.0002","90","","103.292","0.001","90","","1017.81","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang","Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane","Green Chemistry","2023","25","3","1120","1127","10.1039/D2GC04689J","","x-ray","1.54184","CuKα","","0.0317","0.0312","","","0.08","0.0804","","","","","","1.083","","","","has coordinates,has disorder","281483","2023-03-04","18:25:40",""
"7246187","16.674","0.002","8.0975","0.0007","16.837","0.002","90","","119.02","0.016","90","","1987.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O2 Pd -","- C42 H48 N4 O2 Pd -","- C84 H96 N8 O4 Pd2 -","2","0.5","","Pakpour, Fatemeh; Safaei, Elham; Azami, S. Mohammad; Wojtczak, Andrzej; Kaldunska, Karolina","The role of a redox-active non-innocent ligand in additive-free C–C Glaser–Hay and Suzuki coupling reactions by an o-aminophenol palladium(ii) complex","RSC Advances","2023","13","5","3278","3289","10.1039/D2RA07252A","","","0.71073","MoKα","","0.1242","0.0813","","","0.223","0.2611","","","","","","1.159","","","","has coordinates","280485","2023-01-21","02:06:00",""
"7246188","12.012","0.002","12.909","0.003","14.885","0.003","90","","97.85","0.03","90","","2286.5","0.8","100","2","100","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","[Val,Chg]ASC","c(Val-Oxz-dval-Thz-Chg-Oxz-dval-Thz)2.DMA","","- C41 H61 N9 O7 S2 -","- C41 H61 N9 O7 S2 -","- C82 H122 N18 O14 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Yamada, Takeshi; Doi, Mitsunobu","Experimental evidence for CH⋯π interaction-mediated stabilization of the square form in phenylglycine-incorporated ascidiacyclamide","RSC Advances","2023","13","4","2458","2466","10.1039/D2RA07063D","","","1.54184","CuKα","","0.0657","0.0644","","","0.1733","0.1754","","","","","","0.744","","","","has coordinates","280486","2023-01-21","02:06:34",""
"7246189","18.269","0.006","12.967","0.004","11.641","0.004","90","","123.754","0.004","90","","2292.8","1.3","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Val-Oxz-D-Val-Thz-Phg-Oxz-D-Val-Thz).dimethylacetamide","","- C42 H56 N9 O7 S2 -","- C42 H56 N9 O7 S2 -","- C84 H112 N18 O14 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Yamada, Takeshi; Doi, Mitsunobu","Experimental evidence for CH⋯π interaction-mediated stabilization of the square form in phenylglycine-incorporated ascidiacyclamide","RSC Advances","2023","13","4","2458","2466","10.1039/D2RA07063D","","","0.71073","MoKα","","0.1249","0.1071","","","0.2655","0.278","","","","","","1.141","","","","has coordinates,has disorder","280486","2023-01-21","02:06:35",""
"7246190","7.9637","0.0002","9.4953","0.0002","17.6571","0.0004","104.23","0.0006","95.441","0.0007","97.9255","0.0007","1270.29","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N8 O7 -","- C23 H28 N8 O7 -","- C46 H56 N16 O14 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.0526","0.045","","","0.1181","0.1261","","","","","","1.028","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246191","8.5911","0.0002","8.6242","0.0002","13.5809","0.0003","105.737","0.0006","90.1053","0.0006","93.157","0.0006","966.89","0.04","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F N6 O5 -","- C18 H21 F N6 O5 -","- C36 H42 F2 N12 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.042","0.0364","","","0.0938","0.0995","","","","","","1.068","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246192","9.0355","0.0006","10.9956","0.0007","11.9267","0.0007","108.007","0.0018","111.568","0.0018","99.678","0.002","993.38","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C40 H48 N8 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.081","0.0492","","","0.1254","0.1476","","","","","","1.042","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246193","11.2418","0.0011","16.0951","0.0015","24.413","0.003","90","","99.814","0.003","90","","4352.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N12 O12 -","- C38 H52 N12 O12 -","- C152 H208 N48 O48 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.095","0.0612","","","0.1595","0.1932","","","","","","1.023","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246194","9.2745","0.0002","9.8947","0.0002","13.565","0.0002","83.663","0.001","81.113","0.002","72.576","0.002","1170.74","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 O2 S -","- C27 H18 O2 S -","- C54 H36 O4 S2 -","2","1","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1227","0.1249","","","","","","1.093","","","","has coordinates,has disorder","281451","2023-03-04","18:19:11",""
"7246195","8.9516","0.0004","10.6649","0.0005","12.0474","0.0004","81.82","0.003","77.034","0.003","67.133","0.004","1030.78","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O S0.5 -","- C14 H10 O S0.5 -","- C56 H40 O4 S2 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0578","0.0543","","","0.1593","0.1648","","","","","","1.08","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246196","12.0602","0.0004","8.4487","0.0003","23.7592","0.0008","90","","92.455","0.003","90","","2418.67","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0725","0.0687","","","0.1984","0.2006","","","","","","1.078","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246197","15.2306","0.0002","33.5647","0.0005","9.1666","0.0001","90","","93.316","0.001","90","","4678.22","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C248 H192 O32 -","8","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.071","0.0581","","","0.1544","0.1617","","","","","","1.037","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246198","14.866","0.005","16.411","0.005","17.012","0.005","90","0.005","90","0.005","90","0.005","4150","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 Ni O2 S2 Zn -","- C19 H16 N4 Ni O2 S2 Zn -","- C152 H128 N32 Ni8 O16 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0624","0.0685","","","","","","1.014","","","","has coordinates","281455","2023-03-04","18:20:22",""
"7246199","9.222","0.005","9.277","0.005","13.294","0.005","75.339","0.005","74.263","0.005","72.671","0.005","1026.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","1","0.5","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0525","0.0412","","","0.1092","0.1165","","","","","","1.049","","","","has coordinates","281455","2023-03-04","18:20:32",""
"7246200","25.9184","0.0007","5.4615","0.0002","13.2419","0.0004","90","","113.639","0.001","90","","1717.15","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 Br O2 -","- C8 H11 Br O2 -","- C64 H88 Br8 O16 -","8","1","","Sutter, Patrick J.; Kang, Guowei; Vellalath, Sreekumar; Romo, Daniel","Zinc-mediated carboxylations of allylic and propargylic halides in flow: synthesis of β-lactones via subsequent bromolactonization","RSC Advances","2023","13","6","3468","3473","10.1039/D2RA07715A","","","0.71073","MoKα","","0.0224","0.0217","","","0.0533","0.0537","","","","","","1.06","","","","has coordinates","280574","2023-01-25","02:10:41",""
"7246201","9.2836","0.0007","10.9381","0.0007","13.6479","0.001","98.031","0.006","98.938","0.006","90.963","0.006","1354.57","0.17","100","1","100","1","","","","","","","","6","P 1","P 1","1","","","","- C28 H27 F6 N3 O S -","- C28 H27 F6 N3 O S -","- C56 H54 F12 N6 O2 S2 -","2","2","","Nomura, Miku; Begum, Zubeda; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Tokiwa, Suguru; Takeshita, Mitsuhiro; Nakano, Hiroto","Thiourea fused γ-amino alcohol organocatalysts for asymmetric Mannich reaction of β-keto active methylene compounds with imines","RSC Advances","2023","13","6","3715","3722","10.1039/D2RA08317E","","","1.54178","CuKα","","0.1264","0.0826","","","0.1954","0.2257","","","","","","0.998","","","","has coordinates","280630","2023-01-27","02:12:36",""
"7246202","19.4327","0.0011","9.488","0.0006","35.303","0.002","90","","90","","90","","6509.1","0.7","294.72","","294.72","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H54 Co2 N8 O15 S2 -","- C64 H54 Co2 N8 O15 S2 -","- C256 H216 Co8 N32 O60 S8 -","4","0.5","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1054","","","0.2906","0.3188","","","","","","1.074","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246203","9.2921","0.0003","13.1111","0.0004","13.6693","0.0005","76.752","0.001","73.666","0.001","80.394","0.001","1546.2","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 N4 Ni O10 S -","- C32 H30 N4 Ni O10 S -","- C64 H60 N8 Ni2 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0342","0.0286","","","0.0747","0.0777","","","","","","1.042","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246204","9.2776","0.0003","13.4671","0.0005","13.8215","0.0005","75.836","0.001","75.089","0.001","79.265","0.001","1603.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cd N4 O10 S -","- C32 H30 Cd N4 O10 S -","- C64 H60 Cd2 N8 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.043","","","0.0754","0.0833","","","","","","1.146","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246205","13.0347","0.0006","15.9789","0.0008","16.0282","0.0007","70.535","0.001","79.28","0.001","87.925","0.001","3091.4","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27.75 N4 O8 S Zn -","- C32 H27 N4 O7.75 S Zn -","- C128 H108 N16 O31 S4 Zn4 -","4","2","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0979","0.0462","","","0.0953","0.1131","","","","","","1.005","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246206","11.3677","0.0006","12.0415","0.0006","13.6045","0.0007","65.426","0.002","78.953","0.002","64.641","0.002","1530.17","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 Cu2 I2 N10 O3 P2 -","- C63 H60 Cu2 I2 N10 O3 P2 -","- C63 H60 Cu2 I2 N10 O3 P2 -","1","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.0695","0.0475","","","0.0837","0.0911","","","","","","1.004","","","","has coordinates,has disorder","280647","2023-01-28","02:14:08",""
"7246207","10.8722","0.001","12.3493","0.001","12.7434","0.001","109.563","0.003","111.852","0.003","100.786","0.002","1398.1","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 Cu2 I2 N8 P2 -","- C62 H50 Cu2 I2 N8 P2 -","- C62 H50 Cu2 I2 N8 P2 -","1","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.0409","0.0382","","","0.1051","0.1074","","","","","","1.036","","","","has coordinates","280647","2023-01-28","02:14:08",""
"7246208","8.7137","0.0001","12.3406","0.0002","13.8265","0.0002","105.328","0.001","101.074","0.001","104.355","0.001","1335.29","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cu I N5 P -","- C30 H24 Cu I N5 P -","- C60 H48 Cu2 I2 N10 P2 -","2","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","x-ray","1.54184","CuKα","","0.0325","0.032","","","0.0877","0.0882","","","","","","1.108","","","","has coordinates","280647","2023-01-28","02:14:08",""
"7246209","27.091","0.004","8.3928","0.0014","28.914","0.005","90","","104.454","0.005","90","","6366.1","1.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H50 Cl6 Cu2 I2 N10 P2 -","- C62 H50 Cl6 Cu2 I2 N10 P2 -","- C248 H200 Cl24 Cu8 I8 N40 P8 -","4","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.1311","0.0878","","","0.196","0.2193","","","","","","1.042","","","","has coordinates","280647","2023-01-28","02:14:09",""
"7246210","9.3493","0.0004","15.3341","0.0007","20.8594","0.001","90","","100.62","0.002","90","","2939.2","0.2","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cu I N4 O P -","- C32 H29 Cu I N4 O P -","- C128 H116 Cu4 I4 N16 O4 P4 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.0718","0.0664","","","0.1616","0.1667","","","","","","1.021","","","","has coordinates","280647","2023-01-28","02:14:09",""
"7246211","8.2281","0.0001","10.5056","0.0001","21.3512","0.0003","90","","90","","90","","1845.62","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O7 -","- C20 H16 N2 O7 -","- C80 H64 N8 O28 -","4","1","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.0449","0.0385","","","0.0964","0.0991","","","","","","1.083","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246212","13.9471","0.0001","13.6917","0.0001","16.7692","0.0001","90","","101.73","0.001","90","","3135.36","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H49 Cl3 N8 O28 -","- C57 H49 Cl3 N8 O28 -","- C114 H98 Cl6 N16 O56 -","2","1","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.0711","0.0679","","","0.1967","0.2019","","","","","","1.075","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246213","58.307","0.0016","6.7934","0.0001","9.0204","0.0002","90","","92.252","0.002","90","","3570.25","0.14","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C136 H144 N16 O56 -","8","2","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.1089","0.0981","","","0.2909","0.3087","","","","","","1.26","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246214","26.921","0.004","19.255","0.002","25.544","0.003","90","","101.364","0.012","90","","12981","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PAA F4TCNQ","","- C70 H56 F2 N6 Si4 -","- C70 H56 F2 N6 Si4 -","- C560 H448 F16 N48 Si32 -","8","1","","Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.","Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors","RSC Advances","2023","13","6","3652","3660","10.1039/D2RA07322F","","x-ray","1.54186","CuKα","","0.1707","0.0835","","","0.172","0.2267","","","","","","1.033","","","","has coordinates","280688","2023-01-31","02:45:22",""
"7246215","9.0452","0.0006","10.1512","0.0007","10.1574","0.0007","112.442","0.005","94.726","0.005","115.784","0.005","740.8","0.11","100","","100","","","","","","","","Dichloromethane","5","P -1","-P 1","2","","TOTA F4BQ","","- C21 H9 F2 N O4 -","- C21 H9 F2 N O4 -","- C42 H18 F4 N2 O8 -","2","1","","Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.","Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors","RSC Advances","2023","13","6","3652","3660","10.1039/D2RA07322F","","x-ray","0.71073","MoKα","","0.05","0.0382","","","0.1005","0.1094","","","","","","1.034","","","","has coordinates","280688","2023-01-31","02:45:23",""
"7246216","17.1173","0.0006","19.0311","0.0005","16.148","0.0006","90","","109.49","0.003","90","","4959","0.3","100","","100","","","","","","","","Dichloromethane","6","P 1 21/c 1","-P 2ybc","14","","PAA F4TCNQ","","- C61 H20 Cl2 F8 N10 O6 -","- C61 H20 Cl2 F8 N10 O6 -","- C244 H80 Cl8 F32 N40 O24 -","4","1","","Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.","Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors","RSC Advances","2023","13","6","3652","3660","10.1039/D2RA07322F","","x-ray","0.71073","MoKα","","0.0804","0.0488","","","0.1047","0.1292","","","","","","1.05","","","","has coordinates","280688","2023-01-31","02:45:23",""
"7246219","3.958","0.0002","18.2868","0.0008","20.5693","0.0008","90","","90","","90","","1488.79","0.12","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng","Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI","CrystEngComm","2023","25","8","1313","1318","10.1039/D2CE01299E","","","1.54178","CuKα","","0.0516","0.0432","","","0.0967","0.1045","","","","","","1.099","","","","has coordinates","281410","2023-03-04","18:08:58",""
"7246220","19.0475","0.0014","7.487","0.0005","7.5538","0.0005","90","","96.033","0.006","90","","1071.27","0.13","292.97","0.1","292.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.1095","0.0959","","","0.271","0.2856","","","","","","1.149","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246221","5.3186","0.0004","5.3186","0.0004","40.261","0.008","90","","90","","90","","1138.9","0.3","403.02","0.1","403.02","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0525","0.0483","","","0.1316","0.1353","","","","","","1.138","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246222","5.3091","0.0001","5.3091","0.0001","39.5281","0.0018","90","","90","","90","","1114.16","0.06","403","0.1","403.15","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 N2 -","- C16 Cd Cl4 N2 -","- C32 Cd2 Cl8 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.0331","0.0313","","","0.0836","0.0842","","","","","","1.116","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246223","20.0721","0.0017","7.3523","0.0006","7.4427","0.0005","90","","94.274","0.007","90","","1095.31","0.15","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cd Cl4 F2 N2 -","- C16 H22 Cd Cl4 F2 N2 -","- C32 H44 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0514","0.0419","","","0.1071","0.1133","","","","","","0.993","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246224","5.2977","0.0002","5.2977","0.0002","40.592","0.003","90","","90","","90","","1139.24","0.1","408.01","0.1","408.15","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.051","0.0505","","","0.1354","0.1362","","","","","","1.27","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246225","7.3756","0.0005","7.4398","0.0005","38.942","0.002","90","","90","","90","","2136.9","0.2","293.01","0.1","293.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.075","0.0543","","","0.1294","0.1406","","","","","","1.108","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246226","6.5334","0.0006","25.031","0.002","15.1033","0.0013","90","","102.382","0.003","90","","2412.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H44 Br2 N4 -","- C62 H44 Br2 N4 -","- C124 H88 Br4 N8 -","2","0.5","","Risi, Guglielmo; Devereux, Mike; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Back to the future: asymmetrical DπA 2,2′-bipyridine ligands for homoleptic copper(i)-based dyes in dye-sensitised solar cells","RSC Advances","2023","13","7","4122","4137","10.1039/D3RA00437F","","x-ray","1.54178","CuKα","","0.0313","0.028","","","0.0751","0.0776","","","","","","1.063","","","","has coordinates","280720","2023-02-01","02:28:12",""
"7246227","17.7039","0.0011","19.5216","0.0012","5.51938","0.00027","90","","91.1706","0.0027","90","","1907.15","0.19","","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fenbendazole - Maleic acid","","- C19 H17 N3 O6 S -","- C19 H17 N3 O6 S -","- C76 H68 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.246","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246228","26.15106","0.0009","5.62505","0.00016","16.88572","0.0004","90","","46.3627","0.0019","90","","1797.66","0.11","","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Fenbendazole - Oxalic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C68 H60 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.5","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246229","3.7252","0.0001","11.5014","0.0004","18.9837","0.0006","90","","91.706","0.003","90","","813","0.04","100","2","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N3 O -","- C9 H5 N3 O -","- C36 H20 N12 O4 -","4","1","","Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander","Amenamevir by Ugi-4CR","Green Chemistry","2023","25","4","1322","1325","10.1039/D2GC04869H","","x-ray","1.54184","CuKα","","0.0404","0.0362","","","0.1008","0.104","","","","","","1.083","","","","has coordinates","281474","2023-03-04","18:24:29",""
"7246230","19.6089","0.0003","13.7807","0.0002","17.823","0.0003","90","","101.936","0.002","90","","4712.08","0.13","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C192 H208 N32 O40 S8 -","8","1","","Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander","Amenamevir by Ugi-4CR","Green Chemistry","2023","25","4","1322","1325","10.1039/D2GC04869H","","x-ray","1.54184","CuKα","","0.0629","0.0585","","","0.1579","0.1615","","","","","","1.085","","","","has coordinates","281474","2023-03-04","18:24:30",""
"7246231","7.7916","0.0006","8.9848","0.0006","11.9955","0.0007","104.394","0.006","106.396","0.006","104.368","0.006","733.1","0.1","149.5","0.8","149.5","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 Cu2 N6 O8 -","- C26 H22 Cl4 Cu2 N6 O8 -","- C26 H22 Cl4 Cu2 N6 O8 -","1","0.5","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0457","0.0339","","","0.0676","0.0748","","","","","","1.07","","","","has coordinates","280744","2023-02-02","02:31:47",""
"7246232","8.2856","0.0003","12.1191","0.0005","19.2393","0.0006","82.105","0.003","86.22","0.003","77.071","0.003","1863.83","0.12","150.05","0.1","150.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Cu F3 N6 O13 S -","- C27 H26 Cu F3 N6 O13 S -","- C54 H52 Cu2 F6 N12 O26 S2 -","2","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0508","0.039","","","0.0861","0.0916","","","","","","1.026","","","","has coordinates","280744","2023-02-02","02:31:48",""
"7246233","7.4731","0.0004","11.7049","0.0004","17.6092","0.0008","97.285","0.004","96.617","0.004","102.781","0.004","1473.58","0.12","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O8 P -","- C26 H22 Ag F6 N6 O8 P -","- C52 H44 Ag2 F12 N12 O16 P2 -","2","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0528","0.037","","","0.0779","0.0854","","","","","","1.027","","","","has coordinates,has disorder","280744","2023-02-02","02:31:48",""
"7246234","8.2856","0.0003","12.1191","0.0005","19.2393","0.0006","82.105","0.003","86.22","0.003","77.071","0.003","1863.83","0.12","150.05","0.1","150.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cu F6 N6 O17 S2 -","- C28 H28 Cu F6 N6 O17 S2 -","- C56 H56 Cu2 F12 N12 O34 S4 -","2","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.1249","0.1091","","","0.2941","0.3109","","","","","","1.026","","","","has coordinates","280744","2023-02-02","02:31:48",""
"7246235","11.0042","0.0012","12.8657","0.0008","12.582","0.0012","90","","115.436","0.013","90","","1608.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Ag N4 O7.5 -","- C13 H12 Ag N4 O7.5 -","- C52 H48 Ag4 N16 O30 -","4","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0409","0.0312","","","0.073","0.0789","","","","","","1.021","","","","has coordinates","280744","2023-02-02","02:31:48",""
"7246236","7.5877","0.0004","7.2192","0.0004","28.0023","0.0014","90","","90.507","0.001","90","","1533.83","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3E,5E)-3-benzylidene-5-(4-nitrobenzylidene)dihydro-2H-pyran-4(3H)-one","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad","Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties","RSC Advances","2023","13","7","4476","4494","10.1039/D2RA07681K","","","0.71073","MoKα","","0.0474","0.0413","","","0.1044","0.1095","","","","","","1.029","","","","has coordinates","280776","2023-02-03","02:11:56",""
"7246237","16.154","0.002","6.9813","0.001","28.997","0.004","90","","90","","90","","3270.2","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2E,5E)-2-benzylidene-5-(2,3-dimethoxybenzylidene)cyclopentanone","","- C21 H20 O3 -","- C21 H20 O3 -","- C168 H160 O24 -","8","1","","Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad","Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties","RSC Advances","2023","13","7","4476","4494","10.1039/D2RA07681K","","","0.71073","MoKα","","0.0623","0.0547","","","0.1123","0.1161","","","","","","1.159","","","","has coordinates","280776","2023-02-03","02:11:59",""
"7246238","14.2119","0.0004","9.8544","0.0003","14.989","0.0004","90","","104.136","0.001","90","","2035.64","0.1","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 N2 O5 Zn -","- C20 H12 N2 O5 Zn -","- C80 H48 N8 O20 Zn4 -","4","1","","Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata","A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT","CrystEngComm","2023","25","11","1626","1636","10.1039/D2CE01600A","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","282328","2023-04-04","10:13:32",""
"7246239","13.635","0.018","21.87","0.02","17.252","0.018","90","","111.89","0.05","90","","4774","9","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Fe2 N6 O12 -","- C12 H12 Fe2 N6 O12 -","- C48 H48 Fe8 N24 O48 -","4","0.5","","Tang, Wenlei; Shao, Zhen-Wu; Xiong, Li; Zhang, Zhiyuan; Tan, Kaiyuan; Feng, Xuan; Wu, Wenjing; Liu, Chong","A siderophore-inspired two-dimensional Fe–hydroxamate metal–organic framework","CrystEngComm","2023","25","10","1462","1466","10.1039/D3CE00022B","","x-ray","1.34139","GaKα","","0.1491","0.0922","","","0.282","0.3227","","","","","","0.965","","","","has coordinates,has disorder","282315","2023-04-04","10:08:32",""
"7246240","17.628","0.002","5.4719","0.0007","21.601","0.003","90","","96.194","0.002","90","","2071.4","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H23 Cl2 N O6 -","- C21 H23 Cl2 N O6 -","- C84 H92 Cl8 N4 O24 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","0.71073","MoKα","","0.0449","0.0407","","","0.0885","0.0912","","","","","","1.068","","","","has coordinates,has disorder","282327","2023-04-04","10:13:22",""
"7246241","7.1781","0.0003","7.832","0.0003","41.7968","0.0016","90","","90","","90","","2349.77","0.16","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl2 N O8 -","- C21 H27 Cl2 N O8 -","- C84 H108 Cl8 N4 O32 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","1.54178","CuKα","","0.0718","0.0597","","","0.1636","0.1764","","","","","","1.039","","","","has coordinates","282327","2023-04-04","10:13:25",""
"7246242","13.356","0.012","13.382","0.012","14.538","0.013","77.483","0.013","75.916","0.013","76.218","0.014","2413","4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.278","0.1078","","","0.1854","0.2082","","","","","","0.947","","","","has coordinates,has disorder","282333","2023-04-04","10:15:23",""
"7246243","12.986","0.006","13","0.007","13.638","0.007","78.032","0.008","78.169","0.007","80.196","0.007","2184.7","1.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.2405","0.1034","","","0.2081","0.2376","","","","","","1.047","","","","has coordinates,has disorder","282333","2023-04-04","10:15:28",""
"7246244","26.17","0.005","26.17","0.005","43.516","0.014","90","","90","","90","","29803","13","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O78 S24 -","- C312 H288 Mg24 O78 S24 -","- C624 H576 Mg48 O156 S48 -","2","0.125","","Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan","A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium","CrystEngComm","2023","25","10","1495","1500","10.1039/D2CE01508K","","","0.71073","MoKα","","0.0916","0.0752","","","0.2404","0.2535","","","","","","1.138","","","","has coordinates","282318","2023-04-04","10:09:20",""
"7246245","37.5848","0.0003","37.5848","0.0003","37.5848","0.0003","90","","90","","90","","53092.9","0.7","200.01","0.1","200.01","0.1","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C480 H192 B48 Fe24 N144 O272 Zr24 -","4","0.0208333","","Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K.","Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands","CrystEngComm","2023","25","10","1550","1555","10.1039/D2CE01686A","","x-ray","1.54184","CuKα","","0.0879","0.0793","","","0.2163","0.2257","","","","","","1.058","","","","has coordinates,has disorder","282313","2023-04-04","10:08:07",""
"7246246","7.284","0.0013","8.5719","0.0013","13.363","0.002","93.005","0.013","102.411","0.013","92.991","0.013","812","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","phenanthridin-6(5<i>H</i>)-one – perfluorobenzoic acid","","- C20 H10 F5 N O3 -","- C20 H10 F5 N O3 -","- C40 H20 F10 N2 O6 -","2","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0704","0.0633","","","0.1813","0.1907","","","","","","1.057","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246247","5.6381","0.001","8.0585","0.0014","23.653","0.004","90","","95.658","0.014","90","","1069.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyridin-2(1<i>H</i>)-one – perfluorophenol","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C44 H24 F20 N4 O8 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0667","0.0526","","","0.1418","0.1522","","","","","","1.085","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246248","7.9484","0.0009","7.1832","0.0005","26.471","0.003","90","","93.279","0.009","90","","1508.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C18 H8 F5 N O3 -","- C18 H8 F5 N O3 -","- C72 H32 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.052","0.0455","","","0.13","0.1396","","","","","","1.089","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246249","13.275","0.002","5.3902","0.0005","16.953","0.002","90","","102.829","0.011","90","","1182.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridin-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C12 H6 F5 N O3 -","- C12 H6 F5 N O3 -","- C48 H24 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.039","0.0355","","","0.0989","0.1025","","","","","","1.047","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246250","8.615","0.0008","15.9915","0.0014","9.1239","0.0008","90","","103.072","0.008","90","","1224.4","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenanthridin-6(5<i>H</i>)-one – perfluorophenol","","- C32 H18.67 F5 N2 O3 -","- C32 H18.666 F5 N2 O3 -","- C64 H37.332 F10 N4 O6 -","2","0.5","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0648","0.0577","","","0.1625","0.1679","","","","","","1.056","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246251","9.0463","0.0009","11.6765","0.0012","13.7306","0.0014","98.454","0.008","97.155","0.008","100.557","0.008","1393.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorophenol","","- C17 H8 F5 N O2 -","- C17 H8 F5 N O2 -","- C68 H32 F20 N4 O8 -","4","2","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0758","0.0659","","","0.177","0.1837","","","","","","1.086","","","","has coordinates,has disorder","281456","2023-03-04","18:20:50",""
"7246252","13.392","0.0012","10.6012","0.0012","14.1313","0.0013","90","","101.079","0.009","90","","1968.8","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.047","0.0308","","","0.0675","0.0751","","","","","","1.046","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246253","5.4453","0.0006","7.8772","0.0006","11.0644","0.0009","71.14","0.007","86.893","0.008","79.296","0.008","441.29","0.07","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C18 Br2 F12 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0377","0.0326","","","0.0818","0.0865","","","","","","1.093","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246254","7.7805","0.0005","12.9312","0.0008","19.6717","0.0014","90","","94.599","0.007","90","","1972.8","0.2","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0466","0.033","","","0.0756","0.0822","","","","","","1.021","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246255","21.3852","0.0016","20.391","0.002","7.5673","0.0006","90","","94.255","0.007","90","","3290.7","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I0.9998 N3 -","- C108 H72 Br16 F40 I3.9992 N12 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0573","0.0459","","","0.1231","0.1355","","","","","","1.026","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246256","7.8665","0.0002","20.2579","0.0003","22.278","0.0004","90","","90","","90","","3550.19","0.12","170","2","169.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C144 Br16 F96 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0523","0.0471","","","0.1051","0.1074","","","","","","1.188","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246257","20.3907","0.0004","7.6801","0.0001","42.938","0.001","90","","90","","90","","6724.2","0.2","170","2","169.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I N3 -","- C216 H144 Br32 F80 I8 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0501","0.0442","","","0.1022","0.1051","","","","","","1.145","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246258","16.7507","0.0002","20.1161","0.0003","23.6396","0.0003","90","","94.595","0.001","90","","7939.97","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N5 O7 Zn1.5 -","- C45 H34 N5 O7 Zn1.5 -","- C360 H272 N40 O56 Zn12 -","8","1","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0647","0.0445","","","0.1063","0.1165","","","","","","1.063","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246259","26.6374","0.0006","9.7433","0.0002","29.7932","0.0007","90","","90.922","0.002","90","","7731.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H48 Cd3 N10 O12 -","- C90 H64 Cd3 N10 O12 -","- C360 H256 Cd12 N40 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0545","0.0363","","","0.0771","0.0887","","","","","","1.054","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246260","27.0745","0.0005","9.7503","0.0002","29.6517","0.0005","90","","91.899","0.002","90","","7823.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H68 Cd3 N6 O12 -","- C94 H68 Cd3 N6 O12 -","- C376 H272 Cd12 N24 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.0658","0.0739","","","","","","1.049","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246261","38.9381","0.0007","9.4374","0.0001","29.5532","0.0005","90","","132.196","0.003","90","","8045.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H82 Cd3 N8 O15 -","- C88 H80 Cd3 N8 O14 -","- C352 H320 Cd12 N32 O56 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","1.54184","CuKα","","0.0279","0.0262","","","0.0705","0.0718","","","","","","1.059","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246262","10.7028","0.0007","11.989","0.0008","13.1876","0.0009","89.083","0.002","72.765","0.002","75.181","0.002","1559.16","0.18","173.11","","173.11","","","","","","","","","5","P -1","-P 1","2","","MSU10","","- C27 H32 La N6 O10 -","- C27 H32 La N6 O10 -","- C54 H64 La2 N12 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","","0.71073","MoKα","","0.0387","0.031","","","0.0669","0.0695","","","","","","1.053","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246263","10.059","0.0002","11.1837","0.0004","13.6668","0.0003","68.67","0.002","86.13","0.002","74.59","0.002","1379.94","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 La N5 O10 -","- C24 H27 La N5 O10 -","- C48 H54 La2 N10 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","x-ray","1.54184","CuKα","","0.0289","0.0264","","","0.0651","0.066","","","","","","1.078","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246264","25.081","0.003","14.4962","0.0014","14.7769","0.0014","90","","101.766","0.002","90","","5259.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H61 Cl3 N20 O24 -","- C30 H30 Cl3 N20 O17 -","- C120 H120 Cl12 N80 O68 -","4","0.5","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0799","0.0648","","","0.1898","0.2096","","","","","","1.023","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246265","12.7096","0.0003","15.9515","0.0004","27.0718","0.0007","90","","96.41","0.001","90","","5454.1","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N20 O29 S2 -","- C40 H38 N20 O28 S2 -","- C160 H152 N80 O112 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","1.34139","GaKα","","0.0739","0.0522","","","0.1116","0.1183","","","","","","1.068","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246266","12.469","0.005","15.956","0.005","27.061","0.005","90","","95.919","0.005","90","","5355","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N20 Na2 O25 S2 -","- C40 H36 N20 Na2 O18 S2 -","- C160 H144 N80 Na8 O72 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71069","MoKα","","0.1118","0.0593","","","0.1111","0.1292","","","","","","1.097","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246267","12.449","0.005","16.143","0.005","26.916","0.005","90","0.005","95.226","0.005","90","0.005","5387","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N20 O24 Rb2 S2 -","- C40 H36 N20 O20 Rb2 S2 -","- C160 H144 N80 O80 Rb8 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1007","0.0802","","","0.1904","0.2034","","","","","","1.025","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246268","12.681","0.005","16.214","0.005","27.109","0.005","90","0.005","96.033","0.005","90","0.005","5543","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cs K N20 O24 S2 -","- C40 H36 Cs K N20 O20 S2 -","- C160 H144 Cs4 K4 N80 O80 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1231","0.0978","","","0.2363","0.2549","","","","","","1.069","","","","has coordinates,has disorder","282319","2023-04-04","10:09:45",""
"7246269","12.274","0.005","16.173","0.005","27.018","0.005","90","","94.661","0.005","90","","5346","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 K2 N20 O23 S2 -","- C40 H36 K2 N20 O19 S2 -","- C160 H144 K8 N80 O76 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0842","0.0633","","","0.1855","0.2082","","","","","","1","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246270","17.287","0.0006","15.6308","0.0005","17.7593","0.0006","90","","90","","90","","4798.7","0.3","300.8","0.1","300.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0985","0.0557","","","0.1537","0.1751","","","","","","1.069","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246271","17.1067","0.0007","15.3661","0.0007","17.6923","0.0008","90","","90","","90","","4650.7","0.4","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0683","0.0477","","","0.099","0.1089","","","","","","1.028","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246272","15.673","0.0017","10.8757","0.0009","14.278","0.0015","90","","90","","90","","2433.8","0.4","365.01","0.11","365.01","0.11","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11.002 -","- C76 H152 Cl4 N4 O44.008 -","4","0.5","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.3081","0.2497","","","0.623","0.659","","","","","","2.479","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246273","17.3155","0.0008","15.6324","0.0009","17.8689","0.0009","90","","90","","90","","4836.8","0.4","300","0.1","300","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0945","0.0579","","","0.149","0.1759","","","","","","1.025","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246274","17.1801","0.0004","15.4816","0.0005","17.8001","0.0005","90","","90","","90","","4734.4","0.2","200.04","0.1","200.04","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0487","0.0383","","","0.0933","0.0986","","","","","","1.049","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246275","17.346","0.0016","15.8138","0.0015","17.761","0.002","90","","90","","90","","4872","0.8","350","","350.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","","0.71073","MoKα","","0.3809","0.1034","","","0.2335","0.3176","","","","","","0.842","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246276","5.2615","0.0002","25.2098","0.0009","16.6111","0.0006","90","","91.994","0.003","90","","2201.98","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N6 O11.5 S2 -","- C41.5 H54 N6 O11.5 S2 -","- C83 H108 N12 O23 S4 -","2","1","","Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J.","A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate","CrystEngComm","2023","25","12","1782","1791","10.1039/D2CE01612E","","x-ray","1.54184","CuKα","","0.0612","0.0513","","","0.1248","0.1313","","","","","","1.024","","","","has coordinates,has disorder","282335","2023-04-04","10:16:21",""
"7246277","17.323","0.002","12.978","0.0015","18.983","0.002","90","","105.428","0.006","90","","4113.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O9 -","- C47 H46 N4 O9 -","- C188 H184 N16 O36 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0496","0.0395","","","0.0977","0.1034","","","","","","1.035","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246278","15.5518","0.0011","18.9095","0.0014","16.7038","0.0012","90","","108.49","0.002","90","","4658.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl4 N4 O8 -","- C54 H48 Cl4 N4 O8 -","- C216 H192 Cl16 N16 O32 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0355","0.0344","","","0.0936","0.0945","","","","","","1.031","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246279","14.9566","0.0014","14.9948","0.0014","16.2793","0.0015","64.136","0.003","79.706","0.003","76.944","0.003","3186.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H84 N4 O13 -","- C77 H84 N4 O13 -","- C154 H168 N8 O26 -","2","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0504","0.0472","","","0.1182","0.1209","","","","","","1.022","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246280","25.162","0.004","13.623","0.002","14.286","0.002","90","","90","","90","","4897","1.3","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C51.3 H50.4 Cl2 N4 O12.2 -","- C51.3 H50.4 Cl2 N4 O12.2 -","- C205.2 H201.6 Cl8 N16 O48.8 -","4","0.25","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.1376","0.1359","","","0.4382","0.4501","","","","","","2.492","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246281","28.327","0.003","14.6276","0.0017","30.858","0.004","90","","93.076","0.007","90","","12768","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 N4 O14 -","- C74 H88 N4 O14 -","- C592 H704 N32 O112 -","8","2","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0813","0.0728","","","0.165","0.1688","","","","","","1.201","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246282","4.9739","0.0003","8.6018","0.0005","6.952","0.0005","90","","110.177","0.003","90","","279.18","0.03","289","2","289","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O6 Se2 Zr -","- O6 Se2 Zr -","- O12 Se4 Zr2 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0395","0.0354","","","0.0869","0.0883","","","","","","1.059","","","","has coordinates","282331","2023-04-04","10:14:46",""
"7246283","11.285","0.003","11.285","","11.285","","90","","90","","90","","1437.2","0.4","273","2","273","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0198","0.0182","","","0.0475","0.0481","","","","","","1.206","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246284","4.9425","0.0002","8.5794","0.0003","6.9325","0.0002","90","","110.1","0.001","90","","276.059","0.017","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Hf O6 Se2 -","- Hf O6 Se2 -","- Hf2 O12 Se4 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0273","0.0263","","","0.069","0.07","","","","","","1.115","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246285","9.7448","0.0003","11.2596","0.0003","14.0846","0.0004","68.021","0.003","84.398","0.002","66.219","0.003","1308.81","0.08","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cd N4 O8 -","- C22 H31 Cd N4 O8 -","- C44 H62 Cd2 N8 O16 -","2","1","","Huang, Mengyi; Liang, Zhenxin; Huang, Jinling; Zhang, Shuyu; Wen, Yuehong; Wu, Xintao","Dimensional expansion of 1D zigzag chains to a 2D two-fold interpenetrated metal–organic framework for adsorption of lanthanide cations and white light emission","CrystEngComm","2023","25","11","1637","1642","10.1039/D3CE00001J","","x-ray","1.3405","GaKα","","0.0474","0.0432","","","0.1149","0.1178","","","","","","1.053","","","","has coordinates","282329","2023-04-04","10:13:40",""
"7246286","18.8874","0.0014","6.1813","0.0005","17.2323","0.0011","90","","91.402","0.006","90","","2011.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 F5 O2 P -","- C24 H16 F5 O2 P -","- C96 H64 F20 O8 P4 -","4","1","","Chu, Xue-Qiang; Cai, Song-Zhou; Chen, Jia-Wei; Yu, Zi-Lun; Ma, Mengtao; Walsh, Patrick J.; Shen, Zhi-Liang","Defluorophosphorylation of fluoroalkyl peroxides for the synthesis of highly substituted furans","Green Chemistry","2023","25","5","2000","2010","10.1039/D2GC04512E","","x-ray","0.71073","MoKα","","0.0522","0.0413","","","0.0952","0.1029","","","","","","1.053","","","","has coordinates","283364","2023-05-05","02:48:34",""
"7246287","11.345","0.0006","12.0953","0.0006","14.1162","0.0007","89.245","0.004","77.498","0.004","62.787","0.005","1673.55","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 F5 O3 P2 -","- C36 H25 F5 O3 P2 -","- C72 H50 F10 O6 P4 -","2","1","","Chu, Xue-Qiang; Cai, Song-Zhou; Chen, Jia-Wei; Yu, Zi-Lun; Ma, Mengtao; Walsh, Patrick J.; Shen, Zhi-Liang","Defluorophosphorylation of fluoroalkyl peroxides for the synthesis of highly substituted furans","Green Chemistry","2023","25","5","2000","2010","10.1039/D2GC04512E","","x-ray","0.71073","MoKα","","0.0701","0.0556","","","0.1543","0.1719","","","","","","1.068","","","","has coordinates","283364","2023-05-05","02:48:34",""
"7246288","11.5221","0.0005","15.2245","0.0007","10.1523","0.0005","90","","105.553","0.005","90","","1715.69","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hydrazone","","- C17 H14 Cl N5 O S -","- C17 H14 Cl N5 O S -","- C68 H56 Cl4 N20 O4 S4 -","4","1","","Sindhu, Jayant; Chahal, Sandhya; Punia, Jyoti; Rani, Payal; Singh, Rajvir; ., Mayank; Kumar, Parvin; Kataria, Ramesh; Joshi, Gaurav","Development of thiazole appended novel hydrazones as a new class of α-amylase inhibitors with anticancer assets: An in silico and in vitro approach","RSC Medicinal Chemistry","2023","","","","","10.1039/D2MD00431C","","x-ray","0.71073","MoKα","","0.0871","0.0493","","","0.1281","0.1545","","","","","","1.0325","","","","has coordinates","281010","2023-02-20","11:23:11",""
"7246289","10.1707","0.0005","11.4654","0.0006","17.4938","0.0009","99.51","0.002","94.557","0.002","109.661","0.002","1874.51","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 F24 N10 P4 -","- C68 H62 F24 N10 P4 -","- C68 H62 F24 N10 P4 -","1","0.5","","Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting","Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy","RSC Medicinal Chemistry","2023","","","","","10.1039/D2MD00463A","","","1.34138","GaKα","","0.0666","0.0547","","","0.1537","0.164","","","","","","1.034","","","","has coordinates,has disorder","281011","2023-02-20","11:24:12",""
"7246290","13.051","0.004","17.961","0.01","16.08","0.004","90","","110.553","0.012","90","","3529","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 F18.5 N4 P4 -","- C56 H44 F24 N4 P4 -","- C112 H88 F48 N8 P8 -","2","0.5","","Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting","Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy","RSC Medicinal Chemistry","2023","","","","","10.1039/D2MD00463A","","","1.34138","GaKα","","0.1337","0.1199","","","0.3273","0.3351","","","","","","1.042","","","","has coordinates,has disorder","281011","2023-02-20","11:24:13",""
"7246291","10.8172","0.0005","17.964","0.0007","18.8642","0.0008","69.309","0.002","85.526","0.002","72.745","0.002","3273.4","0.2","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H77 Cl4 N5 O13 -","- C61 H53 Cl4 N5 O13 -","- C122 H106 Cl8 N10 O26 -","2","1","","Sun, Jian-Da; Liu, Yamin; Zhao, Zijian; Yu, Shang-Bo; Qi, Qiao-Yan; Zhou, Wei; Wang, Hui; Hu, Ke; Zhang, Dan-Wei; Li, Zhan-Ting","Host–guest binding of tetracationic cyclophanes to photodynamic agents inhibits posttreatment phototoxicity and maintains antitumour efficacy","RSC Medicinal Chemistry","2023","","","","","10.1039/D2MD00463A","","","1.34138","GaKα","","0.1242","0.1083","","","0.3465","0.3685","","","","","","1.572","","","","has coordinates","281011","2023-02-20","11:24:14",""
"7246292","10.6549","0.0001","24.1161","0.0003","12.81","0.0002","90","","111.908","0.002","90","","3053.88","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O4 S -","- C35 H33 N5 O4 S -","- C140 H132 N20 O16 S4 -","4","2","","Battula, Himabindu; Nath, Moromi; Mishra, Sabyashachi; Jayanty, Subbalakshmi","Spirocyclic rhodamine B benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism.","RSC advances","2023","13","8","5134","5148","10.1039/d2ra08022b","","x-ray","1.54184","CuKα","","0.0553","0.0513","","","0.1403","0.1437","","","","","","1.038","","","","has coordinates","281041","2023-02-20","13:30:50",""
"7246293","10.0111","0.001","11.7592","0.0012","13.097","0.0015","90","","90","","90","","1541.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Reddy, Yeruva Pavankumar; Srinivasadesikan, V.; Balamurugan, Rengarajan; Lin, M. C.; Anwar, Shaik","Synthesis of tetrahydrochromenes and dihydronaphthofurans via a cascade process of [3 + 3] and [3 + 2] annulation reactions: mechanistic insight for 6-endo-trig and 5-exo-trig cyclisation","RSC Advances","2023","13","9","5796","5803","10.1039/D2RA08163F","","","0.71073","MoKα","","0.0418","0.0365","","","0.0947","0.0985","","","","","","1.039","","","","has coordinates","281042","2023-02-20","13:31:32",""
"7246294","11.5839","0.0004","7.0849","0.0003","18.9487","0.0008","90","","91.452","0.003","90","","1554.64","0.11","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 B Cl2 N2 S -","- C18 H11 B Cl2 N2 S -","- C72 H44 B4 Cl8 N8 S4 -","4","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","x-ray","1.54178","CuKα","","0.0398","0.0323","","","0.0827","0.0868","","","","","","1.067","","","","has coordinates","281043","2023-02-20","13:32:39",""
"7246295","10.4393","0.0006","10.3703","0.0005","17.1418","0.0012","90","","107.199","0.003","90","","1772.77","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 S -","- C24 H16 N2 S -","- C96 H64 N8 S4 -","4","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.036","0.0351","","","0.0878","0.0883","","","","","","1.042","","","","has coordinates","281043","2023-02-20","13:32:39",""
"7246296","6.8773","0.0001","7.4161","0.0001","16.8392","0.0003","89.364","0.0007","85.3723","0.0007","73.5196","0.0007","820.81","0.02","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 S3 -","- C20 H12 N2 S3 -","- C40 H24 N4 S6 -","2","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.0287","0.0275","","","0.0696","0.0704","","","","","","1.07","","","","has coordinates,has disorder","281043","2023-02-20","13:32:39",""
"7246297","9.9159","0.0003","9.8182","0.0003","10.8445","0.0003","90","","101.793","0.001","90","","1033.5","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H16 N2 S3 -","- C26 H16 N2 S3 -","- C52 H32 N4 S6 -","2","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.0224","0.0224","","","0.0585","0.0586","","","","","","1.104","","","","has coordinates","281043","2023-02-20","13:32:40",""
"7246298","9.176","","10.505","","13.141","","90","","90","","90","","1266.71","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Chloride","","- Cl5 Cs3 Cu2 -","- Cl5 Cs3 Cu2 -","- Cl20 Cs12 Cu8 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0771","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:16",""
"7246299","9.524","","10.979","","13.648","","90","","90","","90","","1427.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Bromide","","- Br5 Cs3 Cu2 -","- Br5 Cs3 Cu2 -","- Br20 Cs12 Cu8 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0342","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246300","10.1743","","11.6532","","14.3621","","90","","90","","90","","1702.82","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Iodide","","- Cs3 Cu2 I5 -","- Cs3 Cu2 I5 -","- Cs12 Cu8 I20 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0709","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246301","9.49808","","11.8868","","5.5944","","90","","90","","90","","631.618","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Chloride","","- Cl3 Cs Cu2 -","- Cl3 Cs Cu2 -","- Cl12 Cs4 Cu8 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0117","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246302","10.5479","","13.1725","","6.09718","","90","","90","","90","","847.156","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Iodide","","- Cs Cu2 I3 -","- Cs Cu2 I3 -","- Cs4 Cu8 I12 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:18",""
"7246303","9.87123","","12.3478","","5.81321","","90","","90","","90","","708.56","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Bromide","","- Br3 Cs Cu2 -","- Br3 Cs Cu2 -","- Br12 Cs4 Cu8 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0167","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:18",""
"7246304","6.7843","0.0003","8.3585","0.0003","15.1607","0.0007","97.295","0.003","93.314","0.004","111.978","0.004","785.58","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Br N O -","- C17 H22 Br N O -","- C34 H44 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.046","0.0367","","","0.0832","0.089","","","","","","1.076","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246305","8.7375","0.0003","9.2799","0.0004","10.6024","0.0007","106.226","0.005","98.182","0.004","100.729","0.004","793.61","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C30 H34 I4 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71071","MoKα","","0.0355","0.0242","","","0.0429","0.0489","","","","","","1.087","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246306","7.8428","0.0003","8.7456","0.0004","11.7685","0.0006","81.274","0.004","82.709","0.004","72.451","0.004","757.9","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl I N O -","- C15 H17 Cl I N O -","- C30 H34 Cl2 I2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71071","MoKα","","0.028","0.0235","","","0.0434","0.0456","","","","","","1.041","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246307","4.63873","0.00014","56.6665","0.0012","8.4248","0.0002","90","","95.637","0.002","90","","2203.84","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Br3 N O -","- C21 H30 Br3 N O -","- C84 H120 Br12 N4 O4 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0742","0.0586","","","0.096","0.1021","","","","","","1.191","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246308","6.7554","0.0003","8.4116","0.0003","16.8284","0.0007","97.564","0.003","96.503","0.004","110.294","0.004","876.01","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Br N O -","- C19 H26 Br N O -","- C38 H52 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0453","0.0353","","","0.0728","0.0773","","","","","","1.051","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246309","10.0323","0.0004","11.3017","0.0004","15.5236","0.0005","106.418","0.003","94.206","0.003","113.861","0.004","1508.28","0.12","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Br I N O -","- C15 H17 Br I N O -","- C60 H68 Br4 I4 N4 O4 -","4","2","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71073","MoKα","","0.0395","0.0285","","","0.048","0.0517","","","","","","1.045","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246310","6.6716","0.0003","8.3651","0.0004","13.0803","0.0006","86.724","0.004","86.237","0.004","70.833","0.004","687.55","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C30 H36 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0458","0.0373","","","0.0735","0.0779","","","","","","1.063","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246311","28.1904","0.0012","9.1296","0.0002","17.0705","0.0006","90","","98.313","0.004","90","","4347.2","0.3","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Br3 N2 O2 -","- C46 H67 Br3 N2 O2 -","- C184 H268 Br12 N8 O8 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0715","0.0393","","","0.0798","0.0919","","","","","","1.053","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246312","6.7504","0.0003","8.3652","0.0004","20.1363","0.001","81.71","0.004","86.632","0.004","70.675","0.004","1061.71","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 Br N O -","- C23 H34 Br N O -","- C46 H68 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0439","0.0351","","","0.0744","0.0787","","","","","","1.06","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246313","11.2232","0.0003","10.9897","0.0002","15.9803","0.0004","90","","109.77","0.003","90","","1854.83","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O Se -","- C22 H18 N2 O Se -","- C88 H72 N8 O4 Se4 -","4","1","","Lalji, Ram Sunil Kumar; Prince,; Gupta, Mohit; Kumar, Sandeep; Kumar, Amit; Singh, Brajendra Kumar","Rhodium-catalyzed selenylation and sulfenylation of quinoxalinones ‘on water’","RSC Advances","2023","13","9","6191","6198","10.1039/D2RA07400A","","","0.71073","MoKα","","0.0491","0.0335","","","0.0761","0.0835","","","","","","1.083","","","","has coordinates","281063","2023-02-21","11:11:41",""
"7246314","9.8962","0.0007","10.3482","0.0006","21.7111","0.001","99.181","0.005","91.413","0.005","114.77","0.007","1982.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F N2 O Se -","- C22 H17 F N2 O Se -","- C88 H68 F4 N8 O4 Se4 -","4","2","","Lalji, Ram Sunil Kumar; Prince,; Gupta, Mohit; Kumar, Sandeep; Kumar, Amit; Singh, Brajendra Kumar","Rhodium-catalyzed selenylation and sulfenylation of quinoxalinones ‘on water’","RSC Advances","2023","13","9","6191","6198","10.1039/D2RA07400A","","","0.71073","MoKα","","0.1233","0.0539","","","0.0935","0.1266","","","","","","1.017","","","","has coordinates","281063","2023-02-21","11:11:52",""
"7246315","4.7442","0.0002","31.8938","0.001","15.627","0.0006","90","","95.026","0.003","90","","2355.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N6 O14 S6 Zn3 -","- C48 H28 N6 O14 S6 Zn3 -","- C96 H56 N12 O28 S12 Zn6 -","2","0.5","","Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun","A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution","CrystEngComm","2023","25","13","1965","1975","10.1039/D2CE01684B","","","0.71073","MoKα","","0.0765","0.0647","","","0.1564","0.1643","","","","","","1.031","","","","has coordinates,has disorder","282325","2023-04-04","10:12:50",""
"7246316","7.6655","0.0001","8.5036","0.0002","9.2148","0.0002","87.7032","0.0012","71.3451","0.001","84.9971","0.0012","566.89","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co N2 O6 -","- C12 H10 Co N2 O6 -","- C24 H20 Co2 N4 O12 -","2","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0417","0.0309","","","0.0638","0.0676","","","","","","1.023","","","","has coordinates","281080","2023-02-22","08:38:53",""
"7246317","7.3291","0.0002","26.4128","0.0006","19.8928","0.0004","90","","92.0679","0.0013","90","","3848.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Co3 N4 O16 -","- C37 H37 Co3 N4 O16 -","- C148 H148 Co12 N16 O64 -","4","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.11","0.0708","","","0.1636","0.1835","","","","","","1.042","","","","has coordinates,has disorder","281080","2023-02-22","08:38:58",""
"7246318","18.6212","0.0002","15.979","0.0002","17.1168","0.0002","90","","113.206","0.0005","90","","4681","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Co N4 O8 -","- C23 H27 Co N4 O8 -","- C184 H216 Co8 N32 O64 -","8","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0345","0.0281","","","0.0752","0.0792","","","","","","1.031","","","","has coordinates","281080","2023-02-22","08:38:59",""
"7246319","18.0308","0.0012","8.2801","0.0006","19.332","0.0013","90","","105.499","0.0017","90","","2781.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Co N6 O11 -","- C26 H30 Co N6 O11 -","- C104 H120 Co4 N24 O44 -","4","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.059","0.0388","","","0.0932","0.1024","","","","","","1.02","","","","has coordinates","281080","2023-02-22","08:43:10",""
"7246320","9.0051","0.0007","9.514","0.0007","12.5164","0.001","90.61","0.003","99.38","0.003","109.122","0.003","997.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Co N4 O8 -","- C19 H19 Co N4 O8 -","- C38 H38 Co2 N8 O16 -","2","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0273","0.0247","","","0.0626","0.064","","","","","","1.034","","","","has coordinates","281080","2023-02-22","08:43:39",""
"7246321","10.3322","0.0002","10.7423","0.0002","14.3583","0.0002","97.245","0.002","100.734","0.002","116.704","0.002","1358.21","0.05","298.06","0.1","298.06","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10.33 H7.33 N1.33 O1.33 S0.67 -","- C10.3333 H7.33333 N1.33333 O1.33333 S0.666667 -","- C62 H44 N8 O8 S4 -","6","3","","Zhang, Zhicheng; Wen, Linzi; Xu, Shihai; Tang, Yu; Cao, Xiaohui; Feng, Pengju","Consecutive cross-dehydrogenative C–O and C–N construction for the synthesis of polyarene with AIE properties under electrochemical condition involving oxygen radical species","Green Chemistry","2023","25","6","2287","2292","10.1039/D3GC00124E","","x-ray","1.54184","CuKα","","0.0763","0.0683","","","0.1977","0.2069","","","","","","1.049","","","","has coordinates","283366","2023-05-05","02:48:50",""
"7246322","5.942","0.0004","18.6317","0.0017","20.5632","0.0013","90","","90","","90","","2276.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N8 O0.25 S8 Se8 -","- C27 H21 N O2 S Se -","- C108 H84 N4 O8 S4 Se4 -","4","1","","Yu, Minhui; Jin, Tao; Wang, Xiaohua; Li, Haohu; Ji, Decai; Yao, Jinzhong; Zeng, Heyang; Shi, Senlei; Xu, Kaimeng; Zhang, Lianpeng","Regioselective intramolecular cyclization of o-alkynyl arylamines with the in situ formation of ArXCl to construct poly-functionalized 3-selenylindoles","RSC Advances","2023","13","9","6210","6216","10.1039/D3RA00030C","","x-ray","0.71073","MoKα","","0.0935","0.0426","","","0.0601","0.0701","","","","","","0.904","","","","has coordinates","281095","2023-02-22","11:51:19",""
"7246323","13.296","0.002","18.408","0.004","3.7815","0.0011","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.141","0.0724","","","0.1198","0.1597","","","","","","1.057","","","","has coordinates","282322","2023-04-04","10:11:06",""
"7246324","6.983","0.004","8.788","0.005","10.103","0.006","98.26","0.02","94.33","0.02","93.17","0.02","610.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C24 H22 N6 O12 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.124","0.0564","","","0.1194","0.1428","","","","","","1.035","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246325","7.4117","0.0008","14.0189","0.0013","10.6336","0.001","90","","98.59","0.009","90","","1092.48","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N5 O8 -","- C24 H19 N5 O8 -","- C48 H38 N10 O16 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.053","0.0429","","","0.1045","0.1142","","","","","","1.086","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246326","7.307","0.0006","9.3649","0.0007","14.6557","0.001","81.676","0.003","80.506","0.003","69.46","0.003","922.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N4 O4 -","- C24 H16 N4 O4 -","- C48 H32 N8 O8 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0611","0.0447","","","0.129","0.1418","","","","","","1.063","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246327","7.5784","0.0005","11.6201","0.0008","13.5062","0.0009","77.55","0.002","84.286","0.002","76.406","0.002","1127.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.43 H2.29 Cu0.07 N0.71 O -","- C3.42857 H2.28571 Cu0.0714286 N0.714286 O -","- C48 H32 Cu N10 O14 -","14","7","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0692","0.0613","","","0.1731","0.183","","","","","","1.05","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246328","13.2629","0.0007","14.3481","0.0008","16.6357","0.001","96.631","0.005","104.242","0.005","116.913","0.005","2640.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cd N12 O16 -","- C60 H40 Cd N12 O16 -","- C120 H80 Cd2 N24 O32 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.1098","0.0661","","","0.1457","0.1784","","","","","","1.023","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246329","21.5133","0.0014","4.9621","0.0004","24.1452","0.0016","90","","95.496","0.006","90","","2565.7","0.3","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","ARB","arbutin","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","4","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1431","0.059","","","0.113","0.1558","","","","","","0.984","","","","has coordinates","283210","2023-05-05","01:24:53",""
"7246330","6.3532","0.0004","21.0244","0.0012","22.6649","0.0018","90","","90","","90","","3027.4","0.4","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin DMA solvent compound; solvate S4","Arbutin DMA solvate","","- C28 H41 N O15 -","- C28 H41 N O15 -","- C112 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1042","0.0646","","","0.1134","0.1346","","","","","","1.032","","","","has coordinates","283210","2023-05-05","01:25:04",""
"7246331","8.5631","0.0003","8.5283","0.0003","15.1997","0.0005","90","","104.747","0.003","90","","1073.45","0.07","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Arbutin DMF solvent compound; solvate S1","Arbutin DMF solvate","","- C18 H30 N2 O9 -","- C18 H30 N2 O9 -","- C36 H60 N4 O18 -","2","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0431","0.0384","","","0.0913","0.0959","","","","","","1.038","","","","has coordinates","283210","2023-05-05","01:25:09",""
"7246332","6.3606","0.0003","20.5593","0.0009","23.4018","0.0009","90","","90","","90","","3060.2","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin NMP solvent compound;solvate S5","Arbutin NMP solvate","","- C29 H41 N O15 -","- C29 H41 N O15 -","- C116 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0991","0.0615","","","0.1049","0.1239","","","","","","1.04","","","","has coordinates,has disorder","283210","2023-05-05","01:25:21",""
"7246333","15.7345","0.0004","16.732","0.0004","17.2068","0.0006","83.659","0.002","66.309","0.003","89.939","0.002","4118.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0875","0.0474","","","0.1199","0.146","","","","","","1.023","","","","has coordinates,has disorder","282330","2023-04-04","10:14:09",""
"7246334","15.2841","0.0007","15.8379","0.0005","16.1254","0.0006","119.36","0.004","99.503","0.004","106.205","0.004","3046.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","x-ray","0.71073","MoKα","","0.0879","0.0566","","","0.166","0.1826","","","","","","1.055","","","","has coordinates,has disorder","282330","2023-04-04","10:14:14",""
"7246335","15.0565","0.0008","15.5845","0.0007","16.1779","0.0007","64.8","0.004","66.955","0.005","75.967","0.004","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0692","0.0422","","","0.1072","0.1242","","","","","","1.021","","","","has coordinates,has disorder","282330","2023-04-04","10:14:25",""
"7246336","13.1367","0.001","16.9074","0.0011","17.9372","0.0012","107.392","0.006","107.891","0.006","95.423","0.006","3541","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.1707","0.0881","","","0.2158","0.268","","","","","","0.937","","","","has coordinates,has disorder","282330","2023-04-04","10:14:31",""
"7246337","14.133","0.003","24.331","0.004","14.139","0.002","90","","119.109","0.004","90","","4247.9","1.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","1","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","0.71073","MoKα","","0.1274","0.0881","","","0.2322","0.2681","","","","","","1.07","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246338","24.2819","0.0011","24.2419","0.0011","28.6093","0.0013","90","","90","","90","","16840.6","1.3","170","2","170","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46 H24 N8 O17 Zn4 -","- C46 H24 N8 O17 Zn4 -","- C368 H192 N64 O136 Zn32 -","8","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","1.54184","CuKα","","0.1717","0.1169","","","0.3209","0.3513","","","","","","0.976","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246339","7.7223","0.0001","8.3116","0.0002","15.3112","0.0003","90","","101.017","0.002","90","","964.63","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0904","0.0922","","","","","","1.114","","","","has coordinates","282324","2023-04-04","10:12:02",""
"7246340","15.2078","0.0007","8.0042","0.0004","16.6991","0.0008","90","","91.133","0.004","90","","2032.32","0.17","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Co N2 O2 -","- C18 H16 Cl4 Co N2 O2 -","- C72 H64 Cl16 Co4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0309","0.0241","","","0.0557","0.058","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:13",""
"7246341","7.7734","0.0004","8.0302","0.0004","15.1465","0.0008","90","","99.036","0.005","90","","933.74","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.06","0.0557","","","0.1378","0.1403","","","","","","1.073","","","","has coordinates","282324","2023-04-04","10:12:24",""
"7246342","15.7785","0.0006","8.5996","0.0003","16.6373","0.0007","90","","92.28","0.004","90","","2255.71","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cd N2 O2 -","- C18 H16 Br4 Cd N2 O2 -","- C72 H64 Br16 Cd4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0225","0.0173","","","0.0381","0.0394","","","","","","1.029","","","","has coordinates","282324","2023-04-04","10:12:27",""
"7246343","13.7376","0.0004","4.3663","0.0002","22.527","0.0008","90","","95.846","0.003","90","","1344.2","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl3 Hg N O3 -","- C9 H12 Cl3 Hg N O3 -","- C36 H48 Cl12 Hg4 N4 O12 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0159","0.0144","","","0.0338","0.0342","","","","","","1.046","","","","has coordinates","282324","2023-04-04","10:12:31",""
"7246344","8.3593","0.0001","13.0386","0.0002","18.9457","0.0003","76.385","0.001","83.619","0.001","84.652","0.001","1989.69","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Bi Cl7 N4 O6 -","- C36 H36 Bi Cl7 N4 O6 -","- C72 H72 Bi2 Cl14 N8 O12 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.014","0.0132","","","0.0327","0.0329","","","","","","1.065","","","","has coordinates","282324","2023-04-04","10:12:33",""
"7246345","7.4707","0.0002","10.1801","0.0002","14.1377","0.0004","86.275","0.002","86.472","0.002","84.89","0.002","1066.99","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl5 Fe N2 O2 -","- C18 H16 Cl5 Fe N2 O2 -","- C36 H32 Cl10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0253","0.0247","","","0.0627","0.063","","","","","","1.069","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246346","7.6819","0.0001","10.4227","0.0002","14.418","0.0003","86.456","0.002","85.113","0.002","85.066","0.002","1144.21","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br5 Fe N2 O2 -","- C18 H16 Br5 Fe N2 O2 -","- C36 H32 Br10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0175","0.0159","","","0.0381","0.0387","","","","","","1.041","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246347","17.0128","0.0006","7.1435","0.0002","17.1911","0.0007","90","","90.158","0.003","90","","2089.24","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Co N2 O2 -","- C18 H16 Br4 Co N2 O2 -","- C72 H64 Br16 Co4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.1064","0.0805","","","0.2159","0.2344","","","","","","1.097","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246348","17.0829","0.0008","7.2297","0.0003","17.2934","0.0008","90","","90.388","0.004","90","","2135.76","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Hg N2 O2 -","- C18 H16 Br4 Hg N2 O2 -","- C72 H64 Br16 Hg4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0458","0.0361","","","0.0861","0.0901","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246349","7.2163","0.0003","9.5228","0.0004","9.5411","0.0004","83.177","0.003","71.049","0.004","79.945","0.003","609.24","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","1","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.1162","0.1179","","","","","","1.108","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246350","4.0631","0.0001","21.2351","0.0007","14.5111","0.0005","90","","97.763","0.004","90","","1240.55","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N O Pb -","- C9 H8 Br3 N O Pb -","- C36 H32 Br12 N4 O4 Pb4 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0135","0.0118","","","0.0273","0.0277","","","","","","1.038","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246351","15.2852","0.0002","8.2556","0.0001","16.5412","0.0002","90","","91.317","0.001","90","","2086.76","0.04","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Hg N2 O2 -","- C18 H16 Cl4 Hg N2 O2 -","- C72 H64 Cl16 Hg4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0082","0.0082","","","0.0215","0.0215","","","","","","1.12","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246352","15.2834","0.0006","8.2421","0.0004","16.5244","0.0007","90","","91.322","0.004","90","","2080.98","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cd Cl4 N2 O2 -","- C18 H16 Cd Cl4 N2 O2 -","- C72 H64 Cd4 Cl16 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0231","0.0184","","","0.0397","0.041","","","","","","1.031","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246353","9.877","0.0006","12.1262","0.0009","12.1406","0.0008","66.668","0.006","83.456","0.005","83.448","0.005","1322.68","0.17","150.01","0.1","150","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H30 Fe K N2 O8 -","- C25 H30 Fe K N2 O8 -","- C50 H60 Fe2 K2 N4 O16 -","2","1","","Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.","A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations","Green Chemistry","2023","25","6","2262","2267","10.1039/D2GC04580J","","x-ray","1.54184","CuKα","","0.0423","0.0358","","","0.0905","0.0969","","","","","","1.035","","","","has coordinates","283367","2023-05-05","02:49:24",""
"7246354","9.0238","0.0002","12.9234","0.0002","19.4802","0.0003","90","","96.797","0.002","90","","2255.78","0.07","150","0.5","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Fe N2 O6 -","- C23 H27 Fe N2 O6 -","- C92 H108 Fe4 N8 O24 -","4","1","","Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.","A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations","Green Chemistry","2023","25","6","2262","2267","10.1039/D2GC04580J","","","1.54184","CuKα","","0.0392","0.0311","","","0.0762","0.0809","","","","","","1.029","","","","has coordinates","283367","2023-05-05","02:49:24",""
"7246355","7.0227","0.0005","7.0227","0.0005","12.945","0.0013","90","","90","","120","","552.89","0.08","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- H6 La3 Na3 O27 S6 -","- La3 Na3 O27 S6 -","- La3 Na3 O27 S6 -","1","0.333333","","Azeroual, H.; Bantignies, J.-L.; Maurin, D.; Granier, D.; Haines, J.; Cambon, O.; Hermet, P.","Highlights on the reversible nonpolar-to-polar <i>P</i>3<sub>1</sub>21-<i>P</i>3<sub>1</sub> phase transition at low temperature in NaLa(SO<sub>4</sub>)<sub>2</sub>·H<sub>2</sub>O: mechanism and piezoelectric properties.","Physical chemistry chemical physics : PCCP","2023","25","11","8168","8179","10.1039/d3cp00587a","","","0.71073","MoKα","","0.015","0.015","","","0.035","0.035","","","","","","1.039","","","","has coordinates","283509","2023-05-05","03:36:01",""
"7246356","7.9627","0.0009","9.0418","0.0009","9.2723","0.0009","68.798","0.009","76.506","0.009","83.945","0.009","605.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N2 O -","- C13 H15 N2 O -","- C26 H30 N4 O2 -","2","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0428","0.0406","","","0.1132","0.1158","","","","","","1.026","","","","has coordinates","284268","2023-06-05","04:26:03",""
"7246357","8.0063","0.0009","24.063","0.003","20.759","0.002","90","","96.238","0.002","90","","3975.7","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cd N6 O6 -","- C44 H44 Cd N6 O6 -","- C176 H176 Cd4 N24 O24 -","4","0.5","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0305","0.0247","","","0.0621","0.066","","","","","","1.036","","","","has coordinates","284268","2023-06-05","04:26:13",""
"7246358","21.516","0.003","6.3257","0.0008","20.465","0.003","90","","117.404","0.002","90","","2472.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cd N4 O6.5 -","- C23 H26 Cd N4 O6.5 -","- C92 H104 Cd4 N16 O26 -","4","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0385","0.0272","","","0.0677","0.0748","","","","","","1.036","","","","has coordinates,has disorder","284268","2023-06-05","04:26:16",""
"7246359","14.371","0.0002","19.0998","0.0002","23.8664","0.0002","90","","90","","90","","6550.93","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H34 N6 O5 Zn -","- C35 H34 N6 O5 Zn -","- C280 H272 N48 O40 Zn8 -","8","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0558","0.0497","","","0.1412","0.1464","","","","","","1.038","","","","has coordinates,has disorder","284268","2023-06-05","04:26:29",""
"7246360","28.8765","0.0004","23.5183","0.0004","16.9031","0.0002","90","","90","","90","","11479.3","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 Cd N2 O7 -","- C26 H19 Cd N2 O5 -","- C416 H304 Cd16 N32 O80 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0779","0.0758","","","0.2125","0.2161","","","","","","1.079","","","","has coordinates","284268","2023-06-05","04:26:32",""
"7246361","29.0368","0.0003","22.6033","0.0002","16.92391","0.00015","90","","90","","90","","11107.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 N3 O7 Zn -","- C26 H19 N2 O5 Zn -","- C416 H304 N32 O80 Zn16 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0391","0.0351","","","0.1066","0.11","","","","","","1.085","","","","has coordinates","284268","2023-06-05","04:26:42",""
"7246362","7.2581","0.0015","19.176","0.004","7.9267","0.0016","90","","102.24","0.03","90","","1078.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cr2 N8 O10 -","- C18 H14 Cr2 N8 O10 -","- C36 H28 Cr4 N16 O20 -","2","0.5","","Zhou, Shu-Fang; Zhang, Hong-Jie; Zhang, Chen-Xi; Wang, Qing-Lun","A Cr(iii) supramolecular network composite membrane with high water stability and proton conductivity","CrystEngComm","2023","25","13","2003","2010","10.1039/D2CE01610A","","","0.71073","MoKα","","0.091","0.0847","","","0.1656","0.1686","","","","","","1.23","","","","has coordinates","282326","2023-04-04","10:12:58",""
"7246363","14.124","0.0002","9.70051","0.00018","9.5835","0.00016","90","","95.9776","0.0016","90","","1305.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cd N4 O3 -","- C9 H11 Cd N4 O3 -","- C36 H44 Cd4 N16 O12 -","4","1","","Vakil, Farhat; Ahmad, M. Shahwaz; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Ahmad, Musheer","Fabrication of a Cd(ii) metal–organic framework as a dual functional material: efficient iodine capture and selective adsorption of a cationic dye","CrystEngComm","2023","25","15","2280","2297","10.1039/D3CE00048F","","","0.71073","MoKα","","0.0312","0.025","","","0.0654","0.0704","","","","","","1.0476","","","","has coordinates","283218","2023-05-05","01:28:15",""
"7246364","21.0161","0.0011","15.2805","0.0006","11.3726","0.0005","90","","90","","90","","3652.2","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","none","dimethyl trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate pyridine clathrate","","- C22.5 H20.5 N0.5 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0442","0.0386","","","0.0985","0.1024","","","","","","1.037","","","","has coordinates","282334","2023-04-04","10:16:01",""
"7246365","21.2925","0.0013","15.5355","0.001","11.4506","0.0006","90","","90","","90","","3787.7","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C22 H20.333 N0.333 O4 -","- C21.9998 H20.3331 N0.3333 O4 -","- C175.998 H162.665 N2.6664 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.085","0.0601","","","0.1645","0.1974","","","","","","1.073","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246366","22.263","0.002","9.8738","0.0009","35.777","0.004","90","","93.222","0.006","90","","7852.1","1.3","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C102 H89 N3 O4 -","- C102 H89 N3 O4 -","- C408 H356 N12 O16 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0839","0.0507","","","0.1291","0.1514","","","","","","1.034","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246367","21.396","0.0012","15.5788","0.0009","11.3832","0.0006","90","","90","","90","","3794.3","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0841","0.0695","","","0.209","0.229","","","","","","1.044","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246368","15.7544","0.0007","25.0313","0.0011","40.1189","0.0016","90","","90","","90","","15821","1.2","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0971","0.0594","","","0.1615","0.1968","","","","","","1.016","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246369","11.2912","0.0006","21.2529","0.0013","15.8162","0.001","90","","90.136","0.003","90","","3795.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0636","0.0552","","","0.1512","0.1648","","","","","","1.043","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246370","18.95","0.004","8.983","0.002","22.253","0.005","90","","107.012","0.009","90","","3622.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H41 N O2 -","- C48 H41 N O2 -","- C192 H164 N4 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0651","0.0463","","","0.1159","0.1321","","","","","","1.035","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246371","15.5845","0.0013","24.9973","0.0019","40.03","0.004","90","","90","","90","","15595","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","none","1,1,1',1'-tetrakis(p-Chlorophenyl)-(9,10-ethanoanthracene-trans-11,12-diyl)dimethanol 2-methylpyridine clathrate'","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.057","0.0515","","","0.1252","0.129","","","","","","1.117","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246372","7.3058","0.0011","10.1615","0.0014","12.4124","0.0018","105.388","0.006","106.574","0.006","100.321","0.006","818.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 N2 O3 S -","- C15 H16 Cl2 N2 O3 S -","- C30 H32 Cl4 N4 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1396","0.0633","","","0.1243","0.152","","","","","","0.965","","","","has coordinates","282323","2023-04-04","10:11:30",""
"7246373","8.7279","0.0003","9.6603","0.0003","11.4482","0.0004","86.524","0.003","77.743","0.003","71.031","0.003","891.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O4 S -","- C16 H18 Cl2 N2 O4 S -","- C32 H36 Cl4 N4 O8 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0421","0.0415","","","0.1139","0.1147","","","","","","1.061","","","","has coordinates","282323","2023-04-04","10:11:33",""
"7246374","7.2276","0.0005","26.5464","0.0019","8.5613","0.0006","90","","112.99","0.003","90","","1512.16","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O2 S -","- C14 H14 Cl2 N2 O2 S -","- C56 H56 Cl8 N8 O8 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.084","0.0507","","","0.0867","0.0982","","","","","","1.016","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246375","8.1335","0.0002","9.2637","0.0002","10.0924","0.0003","72.817","0.002","72.328","0.003","76.935","0.002","684.39","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl2 N3 O2 S -","- C12 H9 Cl2 N3 O2 S -","- C24 H18 Cl4 N6 O4 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0363","0.0358","","","0.0985","0.0992","","","","","","1.031","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246376","12.2812","0.0006","7.35","0.0004","17.434","0.0009","90","","97.212","0.002","90","","1561.26","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 S -","- C14 H14 Cl2 N2 O4 S -","- C56 H56 Cl8 N8 O16 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.0446","0.0362","","","0.0697","0.0727","","","","","","1.037","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246377","7.542","0.0014","8.8365","0.0016","11.384","0.002","83.566","0.006","83.963","0.006","88.682","0.006","749.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl2 N3 O3 S -","- C13 H11 Cl2 N3 O3 S -","- C26 H22 Cl4 N6 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1077","0.0527","","","0.1013","0.1207","","","","","","0.993","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246378","17.6312","0.0007","19.4232","0.0004","31.839","0.0012","104.948","0.003","103.585","0.003","90.131","0.003","10216.7","0.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C141 H114 N13 O33 Zn6 -","- C141 H114 N13 O33 Zn6 -","- C282 H228 N26 O66 Zn12 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1688","0.1422","","","0.4017","0.4218","","","","","","1.512","","","","has coordinates","282339","2023-04-04","10:18:35",""
"7246379","31.752","0.002","17.8208","0.0005","19.1271","0.0008","90","","105.392","0.006","90","","10434.8","0.9","293","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H41 N5 O16 Zn3 -","- C64 H41 N5 O16 Zn3 -","- C256 H164 N20 O64 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.2076","0.1563","","","0.429","0.4615","","","","","","1.467","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246380","32.28","0.06","17.76","0.03","19.21","0.03","90","","104.08","0.05","90","","10682","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C262 H186 N22 O62 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1675","0.1013","","","0.2967","0.3684","","","","","","1.025","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246381","17.3665","0.0008","11.9235","0.0006","14.1752","0.0007","90","","109.802","0.002","90","","2761.7","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/o-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0368","0.0326","","","0.0861","0.0891","","","","","","1.019","","","","has coordinates,has disorder","282337","2023-04-04","10:16:53",""
"7246382","17.3219","0.0009","12.0646","0.0006","14.1378","0.0007","90","","110.136","0.002","90","","2774","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/m-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0418","0.0349","","","0.0886","0.0931","","","","","","1.03","","","","has coordinates,has disorder","282337","2023-04-04","10:17:02",""
"7246383","17.3436","0.0012","12.0126","0.0008","14.0767","0.001","90","","110.152","0.003","90","","2753.2","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/p-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0393","0.0333","","","0.0838","0.0874","","","","","","1.034","","","","has coordinates,has disorder","282337","2023-04-04","10:17:06",""
"7246384","7.4921","0.0002","6.3776","0.0001","12.2609","0.0003","90","","106.057","0.002","90","","562.99","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C22 H20 F2 N6 O10 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Zhang, Lin-Lin; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Salification-driven strategy toward the hydrophobic molecular salt of the antifungal drug 5-fluorocytosine and protocatechuic acid with triple-helix structure offers an innovative insight for conquering adverse drug reactions","CrystEngComm","2023","25","13","1951","1964","10.1039/D2CE01523D","","","1.54178","CuKα","","0.0232","0.0231","","","0.0621","0.0622","","","","","","1.111","","","","has coordinates","282320","2023-04-04","10:10:19",""
"7246385","12.4137","0.0006","5.556","0.0003","21.0115","0.001","90","","92.6231","0.0019","90","","1447.66","0.13","294","2","294.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","1","","Suresh, Rajaghatta N.; Swaroop, Toreshettahally R.; Gowda, Darshini; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","A panoramic view on synthetic applications of α-oxothioamides: a highly regioselective synthesis of 2-acyl-4-(het)arylthiazoles and thioethers.","RSC advances","2023","13","8","4910","4916","10.1039/d2ra08118k","","","0.71073","MoKα","","0.0856","0.0482","","","0.1074","0.1277","","","","","","1.021","","","","has coordinates","281302","2023-03-04","16:24:44",""
"7246386","31.4723","0.0003","8.4394","0.0005","5.347","0.002","90","","90","","90","","1420.2","0.5","294","2","294.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 F2 O2 S -","- C16 H12 F2 O2 S -","- C64 H48 F8 O8 S4 -","4","1","","Suresh, Rajaghatta N.; Swaroop, Toreshettahally R.; Gowda, Darshini; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","A panoramic view on synthetic applications of α-oxothioamides: a highly regioselective synthesis of 2-acyl-4-(het)arylthiazoles and thioethers.","RSC advances","2023","13","8","4910","4916","10.1039/d2ra08118k","","","0.71073","MoKα","","0.0842","0.0483","","","0.1192","0.134","","","","","","1.029","","","","has coordinates","281302","2023-03-04","16:24:45",""
"7246387","12.2173","0.0014","7.2881","0.0008","5.772","0.0006","90","","90.868","0.01","90","","513.89","0.1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S2 -","- C14 H6 S2 -","- C28 H12 S4 -","2","0.5","","Kuroiwa, Tatsuru; Asai, Daisuke; Hashimoto, Shingo; Tahara, Kazukuni","Linear π-conjugated polycyclic compounds consisting of four-, five-, and six-membered rings: benzo[1'',2'':3,4;4'',5'':3',4']bis(cyclobuta[1,2-<i>c</i>]thiophene).","RSC advances","2023","13","7","4578","4583","10.1039/d3ra00144j","","","0.71073","MoKα","","0.1008","0.0552","","","0.0983","0.1123","","","","","","1.081","","","","has coordinates","281303","2023-03-04","16:29:26",""
"7246388","5.9039","0.0002","16.2762","0.0006","7.6534","0.0003","90","","98.902","0.004","90","","726.58","0.05","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 S2 -","- C18 H14 S2 -","- C36 H28 S4 -","2","0.5","","Kuroiwa, Tatsuru; Asai, Daisuke; Hashimoto, Shingo; Tahara, Kazukuni","Linear π-conjugated polycyclic compounds consisting of four-, five-, and six-membered rings: benzo[1'',2'':3,4;4'',5'':3',4']bis(cyclobuta[1,2-<i>c</i>]thiophene).","RSC advances","2023","13","7","4578","4583","10.1039/d3ra00144j","","","0.71073","MoKα","","0.0343","0.0311","","","0.093","0.0972","","","","","","1.089","","","","has coordinates","281303","2023-03-04","16:29:27",""
"7246389","8.3502","0.0002","11.2071","0.0002","13.7253","0.0003","105.807","0.002","99.945","0.002","92.702","0.002","1211.27","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 O7 -","- C28 H32 O7 -","- C56 H64 O14 -","2","1","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.0419","0.0398","","","0.1084","0.1104","","","","","","1.051","","","","has coordinates,has disorder","281304","2023-03-04","16:30:27",""
"7246390","10.4836","0.0002","10.8282","0.0002","11.0718","0.0003","115.718","0.002","91.618","0.002","101.288","0.002","1101.3","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.0398","0.0391","","","0.1021","0.1027","","","","","","1.058","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246391","9.5414","0.0002","13.4295","0.0003","13.5307","0.0003","70.624","0.002","84.081","0.002","82.783","0.002","1619.12","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 O7 -","- C40 H34 O7 -","- C80 H68 O14 -","2","1","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.0467","0.0432","","","0.1147","0.1173","","","","","","1.035","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246392","11.9556","0.0002","7.174","0.0002","18.9601","0.0004","90","","94.087","0.002","90","","1622.06","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.042","0.0415","","","0.1172","0.1179","","","","","","0.867","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246393","13.9393","0.0003","12.5328","0.0002","7.4066","0.0001","90","","96.018","0.002","90","","1286.79","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H12 O4 S2 -","- C14 H12 O4 S2 -","- C56 H48 O16 S8 -","4","1","","Li, Chengpeng; Kiefel, Milton J.","Facile dione protection to benzo[1,2-<i>b</i>:6,5-<i>b</i>']dithiophene-4,5-dione (BDTD) in triggering ultraviolet emission - A new member of the emissive 3,3'-bridged dithiophenes.","RSC advances","2023","13","7","4713","4720","10.1039/d2ra07492c","","x-ray","0.71073","MoKα","","0.0302","0.0287","","","0.0732","0.0748","","","","","","1.045","","","","has coordinates","281305","2023-03-04","16:31:05",""
"7246394","11.3942","0.0002","8.4872","0.0002","13.8579","0.0003","90","","103.512","0.002","90","","1303.03","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 S2 -","- C14 H12 O4 S2 -","- C56 H48 O16 S8 -","4","1","","Li, Chengpeng; Kiefel, Milton J.","Facile dione protection to benzo[1,2-<i>b</i>:6,5-<i>b</i>']dithiophene-4,5-dione (BDTD) in triggering ultraviolet emission - A new member of the emissive 3,3'-bridged dithiophenes.","RSC advances","2023","13","7","4713","4720","10.1039/d2ra07492c","","x-ray","1.54184","CuKα","","0.0293","0.0282","","","0.0703","0.0712","","","","","","1.058","","","","has coordinates","281305","2023-03-04","16:31:05",""
"7246395","6.4676","0.0017","22.034","0.005","10.852","0.003","90","","100.529","0.004","90","","1520.4","0.7","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Qin, Xin; Zhang, Jinhai; Wang, Zhan-Yong; Song, Yimei; Yang, Yixiao; Zhang, Wenhai; Liu, Hongxin","Highly regioselective synthesis of lactams <i>via</i> cascade reaction of α,β-unsaturated ketones, ketoamides, and DBU as a catalyst.","RSC advances","2023","13","7","4782","4786","10.1039/d2ra07117g","","","0.71073","MoKα","","0.0962","0.0584","","","0.1686","0.2135","","","","","","1.045","","","","has coordinates","281306","2023-03-04","16:31:26",""
"7246396","9.36746","0.00004","18.28656","0.00009","25.0624","0.00012","90","","90","","90","","4293.15","0.03","150","","150","","","","","","","","from U of Wollongong","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Br2 N2 O2 -","- C25 H20 Br2 N2 O2 -","- C200 H160 Br16 N16 O16 -","8","1","","Perry, Matthew J.; Willis, Anthony C.; Bremner, John B.; Keller, Paul A.","An investigation of the allylation cascade reactions of substituted indigos.","RSC advances","2023","13","7","4865","4873","10.1039/d3ra00481c","","x-ray","1.54184","CuKα","","0.0231","0.0226","","0.0556","0.0553","0.0556","","","","","","1.0299","","","","has coordinates","281307","2023-03-04","16:32:34",""
"7246397","7.754","0.006","9.591","0.009","11.88","0.011","85.36","0.03","80.05","0.02","70.72","0.02","821.1","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 O6 S2 -","- C10 H10 Cl2 N2 O6 S2 -","- C20 H20 Cl4 N4 O12 S4 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.1007","0.072","","","0.1928","0.2135","","","","","","1.231","","","","has coordinates","282321","2023-04-04","10:10:39",""
"7246398","11.91","0.001","9.772","0.001","18.427","0.001","90","","100.1","0.01","90","","2111.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","2","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.0387","0.0327","","","0.0779","0.0819","","","","","","1.057","","","","has coordinates","282321","2023-04-04","10:10:50",""
"7246399","15.172","0.004","11.583","0.005","29.439","0.005","90","","95.35","0.02","90","","5151","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C112 H144 Cl16 Cu16 N64 O80 S16 -","8","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.0532","0.0361","","","","0.0955","","","","","","0.939","","","","has coordinates","283219","2023-05-05","01:28:28",""
"7246400","14.812","0.014","9.144","0.004","17.494","0.009","90","","104.95","0.09","90","","2289","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C56 H56 Cl8 Cu8 N32 O32 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0516","","","","0.1329","","","","","","0.802","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246401","14.429","0.006","18.17","0.013","13.688","0.005","90","","118.29","0.04","90","","3160","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C56 H88 Cl16 Cu8 N32 O76 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1104","0.0453","","","","0.1032","","","","","","0.832","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246402","16.963","0.003","10.1822","0.0013","18.387","0.003","90","","91.86","0.014","90","","3174.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu2 N12 O6 S3 -","- C21 H25 Cl Cu2 N12 O6 S3 -","- C84 H100 Cl4 Cu8 N48 O24 S12 -","4","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.187","0.0516","","","","0.1234","","","","","","0.823","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246403","14.95","0.005","6.5697","0.0017","15.01","0.005","90","","106.96","0.02","90","","1410.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cl Cu N5 O4 S2 -","- C8 H8 Cl Cu N5 O4 S2 -","- C32 H32 Cl4 Cu4 N20 O16 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0497","","","","0.1154","","","","","","0.836","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246404","12.1962","0.0001","14.5964","0.0001","15.1337","0.0002","90","","90","","90","","2694.11","0.05","276.85","0.13","276.85","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","","1.54178","CuKα","","0.0343","0.0326","","","0.0918","0.0932","","","","","","1.048","","","","has coordinates,has disorder","283214","2023-05-05","01:26:50",""
"7246405","12.1948","0.00012","14.5982","0.00014","15.13607","0.00015","90","","90","","90","","2694.56","0.05","275.58","0.1","275.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.0849","0.0861","","","","","","1.056","","","","has coordinates","283214","2023-05-05","01:26:53",""
"7246406","9.3292","0.0005","12.1601","0.0004","12.7627","0.0005","71.759","0.003","81.597","0.004","81.225","0.004","1351.51","0.1","298.78","0.1","298.78","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0514","0.0445","","","0.1197","0.1246","","","","","","1.023","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246407","9.3353","0.0005","12.1678","0.0004","12.7548","0.0006","71.785","0.004","81.609","0.004","81.171","0.003","1352.49","0.11","298.86","0.1","298.86","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1269","0.1323","","","","","","1.041","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246408","12.1955","0.0001","14.5967","0.0001","15.1339","0.0001","90","","90","","90","","2694.05","0.03","276.17","0.13","276.17","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0356","0.0339","","","0.093","0.0941","","","","","","1.05","","","","has coordinates,has disorder","283214","2023-05-05","01:27:05",""
"7246409","12.18719","0.00019","14.6021","0.0002","15.1221","0.0002","90","","90","","90","","2691.11","0.07","299.5","0.18","299.5","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1023","0.1039","","","","","","1.085","","","","has coordinates","283214","2023-05-05","01:27:08",""
"7246410","9.3313","0.0003","12.1551","0.0003","12.7667","0.0003","71.773","0.002","81.625","0.002","81.167","0.002","1351.7","0.07","275.5","0.3","275.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0583","0.05","","","0.1448","0.1549","","","","","","1.0415","","","","has coordinates","283214","2023-05-05","01:27:10",""
"7246411","7.1754","0.0006","13.8861","0.0011","10.7991","0.0008","90","","104.604","0.003","90","","1041.24","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0463","0.0375","","","0.1069","0.1151","","","","","","1.05","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246412","7.919","0.008","10.604","0.009","13.971","0.014","89.16","0.03","78","0.04","78.24","0.03","1123","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0506","0.039","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246413","13.0551","0.0006","7.4021","0.0003","13.9932","0.0006","90","","101.381","0.002","90","","1325.65","0.1","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I N O -","- C15 H10 I N O -","- C60 H40 I4 N4 O4 -","4","1","","Wu, Jianglong; Ma, Yinfeng; Wang, Yan; Wang, Chenyu; Luo, Hui; Li, Dianjun; Yang, Jinhui","Copper-catalyzed direct synthesis of 3-methylene-2-arylisoindolin-1-ones with calcium carbide as a surrogate of gaseous acetylene","Green Chemistry","2023","25","9","3425","3430","10.1039/D2GC03572C","","","0.71073","MoKα","","0.033","0.027","","","0.0803","0.0982","","","","","","0.997","","","","has coordinates","284285","2023-06-05","04:36:46",""
"7246414","5.59344","0.00009","16.8308","0.0003","10.18927","0.00016","90","","93.3318","0.0015","90","","957.62","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pentafluorophenyl Trifluoroacetate","","","- C8 F8 O S -","- C8 F8 O S -","- C32 F32 O4 S4 -","4","1","","Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O","Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>.","Physical chemistry chemical physics : PCCP","2023","25","13","9394","9403","10.1039/d2cp05909f","","","0.71073","MoKα","","0.0264","0.0221","","","0.0489","0.0509","","","","","","1.0546","","","","has coordinates","283504","2023-05-05","03:35:02",""
"7246415","8.0609","0.0005","5.4728","0.0003","19.87","0.0012","90","","96.277","0.006","90","","871.32","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenyl Trifluorothioacetate","","","- C8 H5 F3 O S -","- C8 H5 F3 O S -","- C32 H20 F12 O4 S4 -","4","1","","Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O","Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>.","Physical chemistry chemical physics : PCCP","2023","25","13","9394","9403","10.1039/d2cp05909f","","","0.71073","MoKα","","0.0626","0.0541","","","0.1609","0.1675","","","","","","1.0419","","","","has coordinates","283504","2023-05-05","03:35:03",""
"7246416","16.0184","0.0006","17.2661","0.0007","8.8793","0.0004","90","","90","","90","","2455.8","0.17","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Cu N4 O5 -","- C22 H36 Cu N4 O5 -","- C88 H144 Cu4 N16 O20 -","4","0.5","","Acharya, Prasun; Kuila, Arun; Pramanik, Ushasi; Hathwar, Venkatesha R.; Brandao, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Tithi; Maity, Ribhu; Chandra Samanta, Bidhan","Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies","RSC Advances","2023","13","11","7632","7644","10.1039/D2RA08341H","","","0.71073","MoKα","","0.0572","0.0401","","","0.1047","0.1176","","","","","","1.131","","","","has coordinates","281759","2023-03-09","02:16:47",""
"7246417","10.5595","0.0005","12.9431","0.0007","20.8682","0.0011","90","","98.743","0.002","90","","2819","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 Cl2 N12 Ni2 O12 -","- C50 H70 Cl2 N12 Ni2 O12 -","- C100 H140 Cl4 N24 Ni4 O24 -","2","0.5","","Acharya, Prasun; Kuila, Arun; Pramanik, Ushasi; Hathwar, Venkatesha R.; Brandao, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Tithi; Maity, Ribhu; Chandra Samanta, Bidhan","Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies","RSC Advances","2023","13","11","7632","7644","10.1039/D2RA08341H","","","0.71073","MoKα","","0.0417","0.0346","","","0.0857","0.0916","","","","","","1.069","","","","has coordinates","281759","2023-03-09","02:16:48",""
"7246418","9.58017","0.00005","9.58017","0.00005","33.7964","0.0003","90","","90","","90","","3101.82","0.04","100.01","0.16","100.01","0.16","","","","","","","","4","P 43","P 4cw","78","","(4R,7aR)-4-methyl-3,7-diphenyl-5,6,7,7a-tetrahydrofuro[2,3-b]pyridin-2(4H)-one","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Feng, Tian; Zhu, Zile; Zhang, Dongmei; Wang, Siyi; Li, Ruopu; Zhu, Zhaolin; Zhang, Xinxing; Qiu, Youai","Electrochemical dual α,β-C(sp3)–H functionalization of cyclic N-aryl amines","Green Chemistry","2023","25","7","2681","2689","10.1039/D3GC00344B","","x-ray","1.54184","CuKα","","0.0527","0.0518","","","0.1242","0.1247","","","","","","1.142","","","","has coordinates","283368","2023-05-05","02:49:30",""
"7246419","11.6432","0.0002","16.4149","0.0002","9.6857","0.0002","90","","113.866","0.002","90","","1692.87","0.06","294.5","0.3","294.5","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 S2 -","- C16 H19 N O3 S2 -","- C64 H76 N4 O12 S8 -","4","1","","Wang, Qian; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming; Duan, Wen-Gui; He, Mu-Xue","Electrochemically driven α-thiocarbamylation via a dehydrocoupling strategy of β-ketoesters with amines and CS2","Green Chemistry","2023","25","7","2572","2576","10.1039/D2GC04544C","","x-ray","1.54184","CuKα","","0.0636","0.0618","","","0.1713","0.1736","","","","","","0.911","","","","has coordinates","283369","2023-05-05","02:49:37",""
"7246420","25.8454","0.0007","30.9591","0.0005","33.6076","0.001","90","","100.869","0.003","90","","26408.7","1.2","150","2","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C228 H168 Ag17 Au10 Cl5 F36 P10 S6 -","- C228 H168 Ag17 Au10 Cl5 F36 P10 S6 -","- C912 H672 Ag68 Au40 Cl20 F144 P40 S24 -","4","1","","Ma, Along; Wang, Jiawei; Kong, Jie; Ren, Yonggang; Wang, Yuxuan; Ma, Xiaoshuang; Zhou, Meng; Wang, Shuxin","Au<sub>10</sub>Ag<sub>17</sub>(TPP)<sub>10</sub>(SR)<sub>6</sub>Cl<sub>5</sub> nanocluster: structure, transformation and the origin of its photoluminescence.","Physical chemistry chemical physics : PCCP","2023","25","14","9772","9778","10.1039/d3cp00459g","","","0.71073","MoKα","","0.2127","0.124","","","0.3274","0.3722","","","","","","1.147","","","","has coordinates,has disorder","283506","2023-05-05","03:35:21",""
"7246421","10.4776","0.0004","11.3099","0.0004","11.4836","0.0004","75.205","0.001","73.441","0.001","73.736","0.001","1229.18","0.08","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 N4 O4 Zn -","- C32 H19 N4 O4 Zn -","- C64 H38 N8 O8 Zn2 -","2","1","","Qi, Shengsheng; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming","A Zn-coordination polymer as a multifunctional fluorescent probe for the detection of V<sub>2</sub>O<sub>7</sub><sup>4-</sup>, Fe<sup>3+</sup>, and <i>p</i>-nitrotoluene.","Physical chemistry chemical physics : PCCP","2023","25","14","10090","10096","10.1039/d2cp05921e","","x-ray","0.71073","MoKα","","0.0336","0.028","","","0.0707","0.0734","","","","","","1.037","","","","has coordinates","283505","2023-05-05","03:35:09",""
"7246422","11.3761","0.0007","4.3405","0.0003","14.3469","0.0009","90","","90","","90","","708.42","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Eu Gd Te3 -","- Cu Eu Gd Te3 -","- Cu4 Eu4 Gd4 Te12 -","4","0.5","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0325","0.0248","","","0.0583","0.0605","","","","","","1.082","","","","has coordinates","282336","2023-04-04","10:16:37",""
"7246423","4.2937","0.0003","14.2876","0.0009","11.1174","0.0007","90","","90","","90","","682.02","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Eu Lu Te3 -","- Cu Eu Lu Te3 -","- Cu4 Eu4 Lu4 Te12 -","4","0.25","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0384","0.0297","","","0.0646","0.0671","","","","","","1.115","","","","has coordinates","282336","2023-04-04","10:16:40",""
"7246424","9.4797","0.001","15.7695","0.0016","6.796","0.0008","90","","94.474","0.004","90","","1012.84","0.19","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","C4H11CdCl4N","","- C4 H11 Cd Cl4 N -","- C4 H11 Cd Cl4 N -","- C16 H44 Cd4 Cl16 N4 -","4","1","","Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang","High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals","CrystEngComm","2023","25","15","2264","2270","10.1039/D3CE00145H","","","0.71073","MoKα","","0.0223","0.018","","","0.0387","0.0401","","","","","","1.07","","","","has coordinates","283211","2023-05-05","01:25:41",""
"7246425","25.949","0.007","10.787","0.003","11.392","0.003","90","","101.972","0.008","90","","3119.4","1.5","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C160 H152 N8 O8 -","8","2","","Wei, Minghui; Liu, Chengkou; Wang, Chang-Sheng; Li, Yuguang; Qiu, Peng; Dong, Quanxiao; Yang, Zhao; Fang, Zheng; Guo, Kai","Synthesis of pyrido[1,2-a]indol-6(7H)-ones via a visible light-photocatalyzed formal (4 + 2) cycloaddition of indole-derived bromides and alkenes or alkynes","Green Chemistry","2023","25","6","2453","2457","10.1039/D2GC04491A","","","0.71073","MoKα","","0.1969","0.0996","","","0.1989","0.2444","","","","","","1.061","","","","has coordinates","283365","2023-05-05","02:48:43",""
"7246426","27.6725","0.0006","27.6725","0.0006","12.4913","0.0004","90","","90","","120","","8283.9","0.4","125","2","125","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H28 Cl2 Mo N2 O2 -","- C12 H28 Cl2 Mo N2 O2 -","- C216 H504 Cl36 Mo18 N36 O36 -","18","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.0352","0.0232","","","0.0424","0.0489","","","","","","1.165","","","","has coordinates","283510","2023-05-05","03:36:12",""
"7246427","9.9569","0.0004","11.9148","0.0005","16.1787","0.0007","82.1846","0.0017","81.8216","0.0016","74.5167","0.0015","1821.19","0.13","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H57 Cl4 Mo2 N5 O2 -","- C24 H57 Cl4 Mo2 N5 O2 -","- C48 H114 Cl8 Mo4 N10 O4 -","2","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.0666","0.0436","","","0.0814","0.0978","","","","","","1.06","","","","has coordinates,has disorder","283510","2023-05-05","03:36:12",""
"7246428","11.6961","0.0018","15.988","0.003","16.238","0.003","113.368","0.005","108.738","0.005","97.767","0.005","2516.4","0.8","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H77 Cl7 Mo3 N7 O2 -","- C32 H77 Cl7 Mo3 N7 O2 -","- C64 H154 Cl14 Mo6 N14 O4 -","2","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.1582","0.142","","","0.3059","0.313","","","","","","1.184","","","","has coordinates,has disorder","283510","2023-05-05","03:36:12",""
"7246429","12.1363","0.0006","14.9001","0.0008","16.2525","0.0009","90","","98.612","0.002","90","","2905.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Br4 N4 Zn -","- C24 H34 Br4 N4 Zn -","- C96 H136 Br16 N16 Zn4 -","4","1","","Kammoun, I.; Belhouchet, M.; Ben Ahmed, A.; Lhoste, J.; Gargouri, M.","Investigation of structural, optical and electrical conductivity of a new organic inorganic bromide: [C12H17N2]2ZnBr4","RSC Advances","2023","13","12","8034","8042","10.1039/D3RA00561E","","","0.71073","MoKα","","0.1616","0.0525","","","0.1","0.1339","","","","","","0.989","","","","has coordinates","281826","2023-03-11","02:38:21",""
"7246430","6.6303","0.0004","7.8338","0.0005","7.9449","0.0005","117.137","0.002","93.126","0.002","111.674","0.002","328.63","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","1","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0601","0.0498","","","0.1337","0.1419","","","","","","1.076","","","","has coordinates","282312","2023-04-04","10:07:32",""
"7246431","3.7348","0.001","11.013","0.003","5.7044","0.0014","90","","96.47","0.01","90","","233.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0529","0.039","","","0.0912","0.1011","","","","","","1.042","","","","has coordinates","282312","2023-04-04","10:07:42",""
"7246432","18.8216","0.0002","9.2134","0.0002","12.654","0.0004","90","","99.552","0.007","90","","2163.92","0.1","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulfonate","","- C23 H22 Cl N O4 S -","- C23 H22 Cl N O4 S -","- C92 H88 Cl4 N4 O16 S4 -","4","2","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0726","0.0583","","","0.1462","0.1582","","","","","","1.043","","","","has coordinates,has disorder","283200","2023-05-05","01:19:20",""
"7246433","6.3116","0.0012","7.6593","0.0013","33.65","0.006","90","","91.663","0.006","90","","1626","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium Iodide","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0417","0.0408","","","0.1191","0.1203","","","","","","1.176","","","","has coordinates","283200","2023-05-05","01:19:24",""
"7246434","7.285","0.0002","7.285","0.0002","19.7163","0.0005","90","","90","","90","","1046.37","0.05","301","2","301.61","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl8 Ga8 Na16 S16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0207","0.019","","","0.0491","0.052","","","","","","1.132","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246435","21.819","0.0004","8.334","0.0002","6.8616","0.0001","90","","100.673","0.001","90","","1226.13","0.04","299","2","299.61","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na2 Se3 -","- Ga Na2 Se3 -","- Ga8 Na16 Se24 -","8","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0215","0.0172","","","0.0358","0.0384","","","","","","1.079","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246436","8.3169","0.0003","6.416","0.0002","20.7332","0.0007","90","","91.1838","0.0013","90","","1106.11","0.06","298.93","","298.93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 Na4 Se5 -","- Ga2 Na4 Se5 -","- Ga8 Na16 Se20 -","4","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0171","0.014","","","0.0297","0.031","","","","","","1.102","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246437","7.5821","0.0002","7.5821","0.0002","20.4761","0.0005","90","","90","","90","","1177.13","0.05","299","2","299.08","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl7.26 Ga8 I0.74 Na16 Se16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.031","0.0166","","","0.0344","0.046","","","","","","1.171","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246438","7.2885","0.0002","39.4434","0.001","7.2884","0.0002","90","","90","","90","","2095.29","0.1","300","2","300","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0178","0.0134","","","0.0295","0.032","","","","","","1.078","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246439","7.597","0.002","41.001","0.011","7.583","0.002","90","","90","","90","","2362","1.1","300","2","299.85","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl14.52 Ga16 I1.48 Na32 Se32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0439","0.0402","","","0.1121","0.1173","","","","","","1.145","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246440","14.008","0.0008","8.2826","0.0004","7.2443","0.0004","90","","90","","90","","840.5","0.08","317.5","0.1","317.5","0.1","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0298","0.0255","","","0.0588","0.0611","","","","","","1.1296","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246441","13.8982","0.0004","8.2537","0.0003","7.154","0.0002","90","","90","","90","","820.65","0.04","200","0.1","200","0.1","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0293","0.0236","","","0.0482","0.0505","","","","","","1.1012","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246442","13.8073","0.0007","8.2291","0.0007","7.0858","0.0004","90","","90","","90","","805.1","0.09","95","0.2","95","0.2","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0327","0.0259","","","0.0456","0.0475","","","","","","1.1889","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246443","7.7998","0.0019","11.64","0.003","15.758","0.004","76.704","0.008","88.171","0.007","79.407","0.008","1368.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.96 H57.58 N1.65 O18 Zn -","- C54.968 H57.592 N1.656 O18 Zn -","- C54.968 H57.592 N1.656 O18 Zn -","1","0.5","","Meza-Morales, William; Alvarez-Ricardo, Yair; Obregón-Mendoza, Marco A.; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Toscano, Rubén A.; Poveda-Jaramillo, Juan Carlos; Enríquez, Raúl G.","Three new coordination geometries of homoleptic Zn complexes of curcuminoids and their high antiproliferative potential","RSC Advances","2023","13","13","8577","8585","10.1039/D3RA00167A","","","0.71073","MoKα","","0.1254","0.0818","","","0.2106","0.2448","","","","","","1.02","","","","has coordinates,has disorder","281905","2023-03-16","02:22:37",""
"7246444","31.514","0.008","17.306","0.005","10.282","0.003","90","","98.828","0.008","90","","5541","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 N2 O13 Zn -","- C51 H60 N2 O13 Zn -","- C204 H240 N8 O52 Zn4 -","4","0.5","","Meza-Morales, William; Alvarez-Ricardo, Yair; Obregón-Mendoza, Marco A.; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Toscano, Rubén A.; Poveda-Jaramillo, Juan Carlos; Enríquez, Raúl G.","Three new coordination geometries of homoleptic Zn complexes of curcuminoids and their high antiproliferative potential","RSC Advances","2023","13","13","8577","8585","10.1039/D3RA00167A","","","0.71073","MoKα","","0.1649","0.0779","","","0.2045","0.2588","","","","","","0.995","","","","has coordinates,has disorder","281905","2023-03-16","02:22:40",""
"7246445","10.5643","0.0005","12.4244","0.0005","30.5143","0.0014","91.7948","0.001","92.0579","0.001","114.781","0.0009","3629.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H77 N3 O22 Zn -","- C79 H77 N3 O22 Zn -","- C158 H154 N6 O44 Zn2 -","2","1","","Meza-Morales, William; Alvarez-Ricardo, Yair; Obregón-Mendoza, Marco A.; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Toscano, Rubén A.; Poveda-Jaramillo, Juan Carlos; Enríquez, Raúl G.","Three new coordination geometries of homoleptic Zn complexes of curcuminoids and their high antiproliferative potential","RSC Advances","2023","13","13","8577","8585","10.1039/D3RA00167A","","","0.71073","MoKα","","0.0614","0.047","","","0.1096","0.1176","","","","","","1.051","","","","has coordinates,has disorder","281905","2023-03-16","02:22:44",""
"7246446","6.6846","0.0002","7.0498","0.0002","15.0256","0.0004","97.105","0.002","94.771","0.002","109.331","0.003","657.18","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0371","0.0308","","","0.0663","0.0684","","","","","","1.097","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246447","6.7936","0.0002","7.348","0.0003","14.7847","0.0005","76.886","0.003","76.865","0.003","69.4","0.004","663.98","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0932","0.098","","","","","","1.092","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246448","3.9284","0.0002","26.3154","0.0012","13.1324","0.0006","90","","91.977","0.004","90","","1356.79","0.11","291","","291","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 N6 O6 Se3 -","- C27 H18 N6 O6 Se3 -","- C54 H36 N12 O12 Se6 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0936","0.066","","","0.102","0.1107","","","","","","1.059","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246449","11.5809","0.0004","11.2962","0.0005","15.112","0.0006","90","","104.191","0.001","90","","1916.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cd N6 O4 S2 -","- C18 H10 Cd N6 O4 S2 -","- C72 H40 Cd4 N24 O16 S8 -","4","1","","Yan, Xiao-Long; Cao, Xiao-Qin; Deng, Cheng-Rui; Zheng, Teng-Fei; Yao, Shu-Li; Liu, Sui-Jun","A highly stable and efficient benzothiadiazole-based fluorescence sensor for salicylaldehyde in aqueous solution","CrystEngComm","2023","25","16","2366","2371","10.1039/D3CE00130J","","","0.71073","MoKα","","0.0332","0.0259","","","0.059","0.0628","","","","","","1.09","","","","has coordinates","283205","2023-05-05","01:22:51",""
"7246450","10.825","0.005","18.151","0.008","9.211","0.004","90","","97.156","0.008","90","","1795.7","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N4 -","- C44 H44 N4 -","- C88 H88 N8 -","2","0.5","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.2119","0.0755","","","0.1391","0.1969","","","","","","1.008","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246451","14.404","0.007","14.404","0.007","9.018","0.008","90","","90","","90","","1871","2","120","2","120","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C46 H47 N5 -","- C46 H47 N5 -","- C92 H94 N10 -","2","0.25","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.1918","0.0786","","","0.1657","0.234","","","","","","1.072","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246452","4.9594","0.0001","10.7311","0.0001","27.2017","0.0003","90","","90","","90","","1447.67","0.04","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-chlorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H19 Cl2 N -","- C13 H19 Cl2 N -","- C52 H76 Cl8 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0858","0.0867","","","","","","1.032","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246453","4.8988","0.0002","10.7881","0.0003","13.7759","0.0004","90","","98.02","0.003","90","","720.92","0.04","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-3-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C26 H36 Br2 Cl2 F2 N2 -","2","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0615","0.0589","","","0.15","0.1517","","","","","","1.122","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246454","4.9604","0.0002","10.8195","0.0004","29.3754","0.001","90","","90","","90","","1576.55","0.1","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-3-methylphenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C14 H21 Br Cl N -","- C14 H21 Br Cl N -","- C56 H84 Br4 Cl4 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0375","0.035","","","0.0842","0.0855","","","","","","1.088","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246455","9.5543","0.0002","6.5919","0.0002","12.4634","0.0003","90","","98.424","0.002","90","","776.49","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-4-methylphenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C14 H21 Br Cl N -","- C14 H21 Br Cl N -","- C28 H42 Br2 Cl2 N2 -","2","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0495","0.038","","","0.082","0.0866","","","","","","1.029","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246456","7.6197","0.0002","14.1232","0.0003","27.1001","0.0007","90","","90","","90","","2916.36","0.12","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-4-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C104 H144 Br8 Cl8 F8 N8 -","8","2","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0529","0.0427","","","0.0909","0.0959","","","","","","0.997","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246457","4.8335","0.0001","26.095","0.0006","11.3444","0.0003","90","","90.954","0.002","90","","1430.67","0.06","113","2","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-5-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C52 H72 Br4 Cl4 F4 N4 -","4","2","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0531","0.0491","","","0.1436","0.1472","","","","","","1.018","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246458","4.7559","0.0002","10.6799","0.0004","28.6366","0.0009","90","","90","","90","","1454.53","0.09","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-6-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C52 H72 Br4 Cl4 F4 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0467","0.0394","","","0.0842","0.0879","","","","","","1.06","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246459","9.288","0.0005","9.6491","0.0005","10.2198","0.0005","66.574","0.004","82.57","0.004","84.516","0.004","832.37","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","","0.71073","MoKα","","0.0468","0.037","","","0.1003","0.1046","","","","","","1.084","","","","has coordinates","281927","2023-03-17","02:29:52",""
"7246460","12.9563","0.0011","8.0625","0.0004","14.0076","0.0017","90","","106.127","0.008","90","","1405.7","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H13 Cl3 Co N4 -","- C10 H13 Cl3 Co N4 -","- C40 H52 Cl12 Co4 N16 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0275","0.0264","","","0.0684","0.069","","","","","","1.048","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246461","11.359","0.003","11.974","0.007","24.537","0.007","90","","99.62","0.02","90","","3290","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Co N3 O8 -","- C35 H44 Co N3 O8 -","- C140 H176 Co4 N12 O32 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","","0.71073","MoKα","","0.1214","0.0568","","","0.1329","0.1687","","","","","","0.997","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246462","12.562","0.0015","15.3891","0.0008","12.905","0.0012","90","","114.666","0.007","90","","2267.1","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Co N4 O4 -","- C26 H22 Co N4 O4 -","- C104 H88 Co4 N16 O16 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0405","0.0309","","","0.0773","0.0809","","","","","","1.062","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246463","10.9556","0.0008","20.9941","0.0012","11.8225","0.0009","90","","97.027","0.006","90","","2698.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Co3 N4 O16 -","- C52 H58 Co3 N4 O16 -","- C104 H116 Co6 N8 O32 -","2","0.5","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.1039","0.0571","","","0.1403","0.1612","","","","","","1.034","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246464","8.9262","0.0004","9.3131","0.0004","11.4785","0.0005","87.538","0.004","85.441","0.004","68.748","0.003","886.41","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0426","0.038","","","0.1018","0.1054","","","","","","1.04","","","","has coordinates","281927","2023-03-17","02:29:54",""
"7246465","13.6519","0.0004","13.7225","0.0005","26.126","0.0008","90","","90.899","0.003","90","","4893.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Co N4 O4 -","- C28 H26 Co N4 O4 -","- C224 H208 Co8 N32 O32 -","8","2","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.106","0.0556","","","0.1072","0.1288","","","","","","1.027","","","","has coordinates","281927","2023-03-17","02:29:54",""
"7246466","11.09","0.0005","19.997","0.001","14.7492","0.0007","90","","128.282","0.001","90","","2567.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B4 Gd N -","- C16 H52 B4 Gd N -","- C64 H208 B16 Gd4 N4 -","4","1","","Magott, Michał; Wegner, Wojciech","Approaching the free-ion limit in magnetically isotropic gadolinium(III) <i>via</i> borohydride ligands.","Physical chemistry chemical physics : PCCP","2023","25","15","10689","10696","10.1039/d3cp01047c","","","0.71073","MoKα","","0.0444","0.0386","","","0.0612","0.0625","","","","","","1.32","","","","has coordinates","283507","2023-05-05","03:35:38",""
"7246467","7.7196","0.0005","11.7045","0.0007","9.4241","0.0006","90","","108.98","0.002","90","","805.21","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Salt 7 (293 K)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0569","0.0405","","","0.1007","0.1107","","","","","","1.045","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246468","9.9691","0.0004","11.552","0.0004","13.8196","0.0005","90","","101.995","0.001","90","","1556.76","0.1","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","2","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0379","0.0335","","","0.0844","0.0874","","","","","","1.033","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246469","6.721","0.0003","19.9988","0.0011","32.6212","0.0019","90","","90","","90","","4384.7","0.4","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C10 H11 I N2 -","- C10 H11 I N2 -","- C160 H176 I16 N32 -","16","0.5","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.1133","0.0965","","","0.2711","0.2879","","","","","","1.138","","","","has coordinates,has disorder","283508","2023-05-05","03:35:54",""
"7246470","15.3346","0.0006","15.1704","0.0006","10.1934","0.0005","90","","91.8457","0.0016","90","","2370.08","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15.25 Br N2 O0.12 -","- C12 H15.25 Br N2 O0.125 -","- C96 H122 Br8 N16 O -","8","2","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0932","0.0467","","","0.089","0.1067","","","","","","1.016","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246471","10.3872","0.0003","10.3872","0.0003","13.2209","0.0006","90","","90","","90","","1426.45","0.09","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C5 H5 I N2 -","- C5 H7 I N2 -","- C40 H56 I8 N16 -","8","0.25","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0565","0.0359","","","0.0861","0.0942","","","","","","1.021","","","","has coordinates,has disorder","283508","2023-05-05","03:35:54",""
"7246472","7.0916","0.0002","7.0916","0.0002","31.4164","0.0013","90","","90","","120","","1368.28","0.08","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C5 H7 I2 N3 -","- C5 H7 I2 N3 -","- C30 H42 I12 N18 -","6","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0717","0.0397","","","0.0623","0.0682","","","","","","1.033","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246473","8.2027","0.0003","13.5124","0.0004","14.3668","0.0005","90","","90","","90","","1592.39","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I3 N2 O2 -","- C12 H13 I3 N2 O2 -","- C48 H52 I12 N8 O8 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0709","0.039","","","0.05","0.0557","","","","","","0.994","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246474","7.3757","0.0006","19.8901","0.0017","8.6493","0.0007","90","","114.402","0.003","90","","1155.53","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 I N2 O -","- C10 H13 I N2 O -","- C40 H52 I4 N8 O4 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0611","0.0323","","","0.063","0.0727","","","","","","1.048","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246475","6.9824","0.0009","15.4554","0.0019","7.8105","0.0011","90","","91.042","0.007","90","","842.74","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I N S -","- C6 H8 I N S -","- C24 H32 I4 N4 S4 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.1","0.0415","","","0.0581","0.0693","","","","","","0.978","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246476","18.2551","0.0009","4.7699","0.0002","19.5922","0.0009","90","","98.785","0.005","90","","1685.98","0.14","150","2","149.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C72 H80 Cu4 N8 O16 -","4","1","","Gautam, Chiteri; Srivastava, Devyani; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Sharma, Vinod K.; Chauhan, Ratna; Late, Dattatray J.; Kumar, Abhinav; Muddassir, Mohd.","Copper(ii) and cobalt(iii) Schiff base complexes with hydroxy anchors as sensitizers in dye-sensitized solar cells (DSSCs)","RSC Advances","2023","13","13","9046","9054","10.1039/D3RA00344B","","x-ray","0.71073","MoKα","","0.048","0.033","","","0.0752","0.0826","","","","","","1.024","","","","has coordinates","281954","2023-03-21","02:14:15",""
"7246477","6.6375","0.0011","8.1893","0.0014","8.426","0.0013","69.401","0.015","88.117","0.013","73.592","0.015","410.14","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","1","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0497","0.039","","","0.0844","0.091","","","","","","1.058","","","","has coordinates","283208","2023-05-05","01:24:01",""
"7246478","8.4631","0.0004","13.1568","0.0006","14.6722","0.0005","90","","91.403","0.004","90","","1633.22","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0576","0.0639","","","","","","1.013","","","","has coordinates","283208","2023-05-05","01:24:03",""
"7246479","6.5889","0.0019","8.4455","0.001","14.91","0.007","90","","99.21","0.04","90","","819","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C20 H12 Cl8 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0489","0.0324","","","0.0557","0.0652","","","","","","1.035","","","","has coordinates","283208","2023-05-05","01:24:12",""
"7246480","6.5931","0.0003","8.549","0.0004","15.1333","0.0009","90","","98.729","0.005","90","","843.1","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.051","0.0356","","","0.0671","0.0745","","","","","","1.024","","","","has coordinates","283208","2023-05-05","01:24:17",""
"7246481","10.8035","0.0008","14.9629","0.0005","6.608","0.0005","90","","128.8","0.011","90","","832.48","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","x-ray","0.71073","MoKα","","0.0559","0.0384","","","0.0721","0.0821","","","","","","1.046","","","","has coordinates","283208","2023-05-05","01:24:19",""
"7246482","7.6844","0.0015","8.4799","0.0012","9.8498","0.0014","67.682","0.014","82.043","0.014","87.656","0.014","588","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 O8 Zn -","- C10 H13 O8 Zn -","- C20 H26 O16 Zn2 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1095","0.0693","","","0.1633","0.1912","","","","","","1.04","","","","has coordinates","284263","2023-06-05","04:24:30",""
"7246483","8.1304","0.0007","8.2667","0.001","10.0751","0.0007","80.531","0.008","70.026","0.007","83.552","0.008","626.61","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Mn N0 O8 -","- C10 H13 Mn O8 -","- C20 H26 Mn2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.0892","0.0807","","","0.2211","0.2389","","","","","","1.089","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246484","7.8186","0.0019","8.4237","0.0014","9.8767","0.0017","68.312","0.016","81.997","0.018","87.309","0.016","598.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Co O8 -","- C10 H13 Co O8 -","- C20 H26 Co2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.11","0.0696","","","0.169","0.1955","","","","","","0.962","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246485","7.6366","0.0015","8.604","0.0013","10.0667","0.0016","113.496","0.015","90.956","0.015","90.157","0.014","606.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.5 H14 Co O7 -","- C11.52 H13.5 Co O7 -","- C23.04 H27 Co2 O14 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1165","0.0661","","","0.1605","0.2003","","","","","","0.909","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246486","11.62224","0.00009","14.66776","0.00011","21.05256","0.00016","100.659","0.0006","91.6602","0.0006","109.986","0.0007","3297.98","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C42 H32 N4 O2 S -","- C42 H32 N4 O2 S -","- C168 H128 N16 O8 S4 -","4","2","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0533","0.0491","","","0.1362","0.14","","","","","","1.065","","","","has coordinates","283206","2023-05-05","01:23:15",""
"7246487","27.8666","0.0004","10.4156","0.0001","23.2099","0.0004","90","","108.11","0.002","90","","6402.89","0.17","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C41 H30 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.057","0.0533","","","0.1488","0.1521","","","","","","1.071","","","","has coordinates,has disorder","283206","2023-05-05","01:23:18",""
"7246488","13.6322","0.0002","22.3975","0.0003","10.7806","0.00019","90","","111.601","0.002","90","","3060.44","0.09","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C36 H25 Cl3 N4 O2 S -","- C36 H25 Cl3 N4 O2 S -","- C144 H100 Cl12 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.047","0.0436","","","0.1219","0.1252","","","","","","1.066","","","","has coordinates","283206","2023-05-05","01:23:20",""
"7246489","13.2848","0.0002","21.9654","0.0003","10.92692","0.00017","90","","111.87","0.0018","90","","2959.06","0.08","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C140 H96 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0458","0.0425","","","0.1081","0.1106","","","","","","1.057","","","","has coordinates","283206","2023-05-05","01:23:29",""
"7246490","27.6505","0.0002","10.34767","0.00008","23.2526","0.0002","90","","108.491","0.001","90","","6309.54","0.09","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C40 H29 N5 O2 S -","- C40 H29 N5 O2 S -","- C320 H232 N40 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0449","0.0425","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246491","12.20306","0.00009","21.16656","0.00017","22.98109","0.00018","69.0121","0.0007","87.5755","0.0006","87.6112","0.0006","5534.93","0.08","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C280 H192 N32 O16 S8 -","8","4","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.067","0.0608","","","0.1731","0.1783","","","","","","1.037","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246492","21.9765","0.0004","21.9765","0.0004","114.166","0.002","90","","90","","120","","47751.2","1.5","213","","213","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","DPPMA/MTBPS","","- C162 H165 N25 O18 S4 -","- C117 H95.9997 N16 O12 S4 -","- C1404 H1152 N192 O144 S48 -","12","0.333333","","Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu","The introduction of a base component to porous organic salts and their CO2 storage capability","CrystEngComm","2023","25","15","2321","2325","10.1039/D3CE00086A","","","1.54184","CuKα","","0.1275","0.1015","","","0.3298","0.3624","","","","","","1.251","","","","has coordinates,has disorder","283217","2023-05-05","01:27:53",""
"7246493","8.6581","0.0015","12.1447","0.0018","22.107","0.003","90","","90","","90","","2324.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","1.54178","CuKα","","0.1112","0.0577","","","0.1195","0.1568","","","","","","1","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246494","13.6538","0.0011","9.0781","0.0008","10.6852","0.0009","90","","108.522","0.004","90","","1255.83","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","0.71073","MoKα","","0.0832","0.0481","","","0.0946","0.1024","","","","","","1.079","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246495","5.9303","0.0007","7.6388","0.0009","23.149","0.003","90","","94.506","0.003","90","","1045.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","1.54178","CuKα","","0.1104","0.0905","","","0.234","0.2474","","","","","","1.395","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246496","5.4795","0.0004","11.4206","0.0009","19.3592","0.0016","90","","90","","90","","1211.48","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","0.71073","MoKα","","0.0543","0.0413","","","0.0881","0.0922","","","","","","1.013","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246497","10.7651","0.0005","4.8762","0.0002","13.0778","0.0005","90","","106.91","0.005","90","","656.81","0.05","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl N3 O S -","- C14 H12 Cl N3 O S -","- C28 H24 Cl2 N6 O2 S2 -","2","1","","Hommelsheim, Renè; Bausch, Sandra; van Nahl, Robin; Ward, Jas S.; Rissanen, Kari; Bolm, Carsten","Synthesis of 3-amino-substituted benzothiadiazine oxides by a palladium-catalysed cascade reaction","Green Chemistry","2023","25","8","3021","3026","10.1039/D3GC00442B","","x-ray","1.54184","CuKα","","0.0473","0.0431","","","0.1078","0.1119","","","","","","1.028","","","","has coordinates","283362","2023-05-05","02:48:05",""
"7246498","10.7397","0.0008","10.9415","0.0009","16.0325","0.0012","88.444","0.003","72.754","0.003","70.469","0.003","1690.3","0.2","120","2","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O -","- C19 H25 N3 O -","- C76 H100 N12 O4 -","4","2","","Al-Rashdi, Kamelah S.; Babgi, Bandar A.; Ali, Ehab M. M.; Jedidi, Abdesslem; Emwas, Abdul-Hamid M.; Davaasuren, Bambar; Jaremko, Mariusz; Humphrey, Mark G.","Tuning anticancer properties and DNA-binding of Pt(ii) complexes via alteration of nitrogen softness/basicity of tridentate ligands","RSC Advances","2023","13","14","9333","9346","10.1039/D3RA00395G","","x-ray","0.71073","MoKα","","0.0625","0.0465","","","0.1163","0.1318","","","","","","1.046","","","","has coordinates","281975","2023-03-22","02:27:16",""
"7246499","9.581","0.0009","12.8164","0.0013","19.359","0.002","89.075","0.004","84.551","0.003","77.443","0.004","2309.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl]-4-chlorophenol","","- C28 H21 Cl N2 O2 -","- C28 H21 Cl N2 O2 -","- C112 H84 Cl4 N8 O8 -","4","2","","Ahmad, Muhammad Saeed; Siddique, Abu Bakar; Khalid, Muhammad; Ali, Akbar; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Imran, Muhammad; Irfan, Ahmad; Khan, Muhammad Usman; Paixão, Marcio Weber","Synthesis, antioxidant activity, antimicrobial efficacy and molecular docking studies of 4-chloro-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol and its transition metal complexes","RSC Advances","2023","13","14","9222","9230","10.1039/D2RA08327B","","","0.71073","MoKα","","0.0997","0.0503","","","0.1204","0.1466","","","","","","1.015","","","","has coordinates","281976","2023-03-22","02:28:03",""
"7246500","8.1014","0.0011","11.2699","0.0015","15.485","0.002","90.087","0.005","99.656","0.005","101.285","0.005","1366","0.3","150","2","150.53","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl F N4 O6 -","- C28 H32 Cl F N4 O6 -","- C56 H64 Cl2 F2 N8 O12 -","2","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0647","0.0439","","","0.0973","0.1069","","","","","","1.03","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246501","10.93","0.002","7.2541","0.0014","35.222","0.006","90","","93.749","0.007","90","","2786.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Cl2 F2 N8 O12 -","- C56 H66 Cl2 F2 N8 O12 -","- C112 H132 Cl4 F4 N16 O24 -","2","0.5","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.1306","0.0716","","","0.1863","0.2222","","","","","","1.069","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246502","12.1642","0.0018","7.4425","0.0011","31.958","0.005","90","","95.245","0.006","90","","2881.1","0.8","150","2","149.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl F N4 O5 -","- C31 H32 Cl F N4 O5 -","- C124 H128 Cl4 F4 N16 O20 -","4","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0615","0.0438","","","0.135","0.1509","","","","","","1.024","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246503","19.669","0.004","7.357","0.0015","17.509","0.004","90","","104.87","0.03","90","","2448.8","1","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N4 O2 -","- C30 H26 Co N4 O2 -","- C120 H104 Co4 N16 O8 -","4","0.5","","Rezaei, Mohammad Taher; Keypour, Hassan; Hajari, Saadat; yaghoobi, Fereshteh; Moazzami Farida, Seyed Hamed; Saadati, Masoud; Gable, Robert William","Theoretical and solid-state structures of three new macroacyclic Schiff base complexes and the investigation of their anticancer, antioxidant and antibacterial properties","RSC Advances","2023","13","14","9418","9427","10.1039/D3RA00153A","","","0.71087","Synchrotron","","0.0321","0.0315","","","0.0961","0.0966","","","","","","1.156","","","","has coordinates","281992","2023-03-23","02:22:53",""
"7246504","6.5339","0.0003","7.1569","0.0003","37.6943","0.0015","90","","90","","90","","1762.68","0.13","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.0547","0.0428","","","0.1051","0.1168","","","","","","1.083","","","","has coordinates","283212","2023-05-05","01:26:01",""
"7246505","6.5274","0.0003","7.2009","0.0003","37.7553","0.0016","90","","90","","90","","1774.62","0.13","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0281","0.0278","","","0.078","0.0783","","","","","","1.064","","","","has coordinates","283212","2023-05-05","01:26:03",""
"7246506","6.5322","0.0015","7.3486","0.0017","37.987","0.009","91.159","0.003","93.956","0.003","90.147","0.004","1818.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.1554","0.0699","","","0.1589","0.1995","","","","","","0.92","","","","has coordinates","283212","2023-05-05","01:26:07",""
"7246507","6.541","0.0002","7.1465","0.0002","37.8014","0.001","91.082","0.0012","94.097","0.0012","90.1522","0.0013","1762.19","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0651","0.0579","","","0.1607","0.1644","","","","","","1.197","","","","has coordinates","283212","2023-05-05","01:26:11",""
"7246508","7.8959","0.0007","9.112","0.0007","13.1382","0.0011","93.469","0.005","94.076","0.004","101.046","0.004","922.74","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N2 Ni0.5 O7 -","- C18 H23 N2 Ni0.5 O7 -","- C36 H46 N4 Ni O14 -","2","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0746","0.0571","","","0.1387","0.1465","","","","","","1.074","","","","has coordinates,has disorder","283207","2023-05-05","01:23:46",""
"7246509","34.338","0.002","34.338","0.002","12.6009","0.0011","90","","90","","120","","12867.1","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H21.06 N4 Ni0.5 O3 -","- C26 H21 N4 Ni0.5 O3 -","- C468 H378 N72 Ni9 O54 -","18","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","1.54184","CuKα","","0.0945","0.067","","","0.1924","0.2197","","","","","","1.056","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246510","10.804","0.001","18.8611","0.0014","16.7162","0.0014","90","","99.623","0.003","90","","3358.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N4 Ni O9 -","- C34 H40 N4 Ni O9 -","- C136 H160 N16 Ni4 O36 -","4","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0653","0.0524","","","0.1117","0.117","","","","","","1.069","","","","has coordinates","283207","2023-05-05","01:23:47",""
"7246511","20.668","0.0018","5.9629","0.0005","23.892","0.002","90","","103.289","0.003","90","","2865.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 Ni O8 -","- C28 H23.9998 N4 Ni O8 -","- C112 H95.9992 N16 Ni4 O32 -","4","0.5","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0735","0.0556","","","0.1314","0.1414","","","","","","1.039","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246512","9.6562","0.0001","11.6905","0.0001","35.064","0.0004","91.265","0.001","93.965","0.001","93.603","0.001","3939.56","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Sm2 -","- C79 H85 N5 O25 Sm2 -","- C158 H170 N10 O50 Sm4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0282","0.0229","","","0.0503","0.0524","","","","","","1.037","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246513","9.6431","0.0001","11.6693","0.0001","34.9873","0.0004","91.212","0.001","93.949","0.001","93.586","0.001","3918.74","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Eu2 N5 O25 -","- C79 H85 Eu2 N5 O25 -","- C158 H170 Eu4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0479","0.032","","","0.0666","0.0717","","","","","","1.03","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246514","9.6431","0.0007","11.6865","0.0009","34.943","0.003","90.941","0.003","94.27","0.003","93.617","0.004","3918.2","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H78 Gd2 N4 O24 -","- C76 H78 Gd2 N4 O24 -","- C152 H156 Gd4 N8 O48 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.058","0.0509","","","0.1354","0.1412","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246515","9.6298","0.0001","11.6484","0.0001","35.049","0.0004","91.288","0.001","94.152","0.001","93.793","0.001","3911.13","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Tb2 -","- C79 H85 N5 O25 Tb2 -","- C158 H170 N10 O50 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0383","0.0281","","","0.0607","0.0642","","","","","","1.04","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246516","9.7244","0.0006","13.8269","0.0008","22.6816","0.0014","83.161","0.004","79.17","0.004","84.514","0.004","2965.7","0.3","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Gd2 N2 O17 -","- C54 H50 Gd2 N2 O17 -","- C108 H100 Gd4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0699","0.0554","","","0.1464","0.1564","","","","","","1.045","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246517","9.8235","0.0006","13.8714","0.0009","22.4913","0.0015","83.593","0.003","78.224","0.003","84.961","0.004","2974.9","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Ho2 N4 O19 -","- C60 H64 Ho2 N4 O19 -","- C120 H128 Ho4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0657","0.0552","","","0.1269","0.1344","","","","","","1.049","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246518","9.6965","0.0006","13.7603","0.0009","22.5832","0.0014","83.287","0.002","78.791","0.002","84.572","0.002","2927.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Er2 N2 O17 -","- C54 H50 Er2 N2 O17 -","- C108 H100 Er4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0445","0.0414","","","0.1098","0.1132","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246519","9.6157","0.0009","11.653","0.0011","34.944","0.003","91.143","0.003","94.27","0.003","93.785","0.004","3894.9","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Ho2 N5 O25 -","- C79 H85 Ho2 N5 O25 -","- C158 H170 Ho4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.043","0.0391","","","0.0991","0.102","","","","","","1.044","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246520","9.8353","0.001","13.8578","0.0013","22.505","0.002","83.589","0.004","78.689","0.004","84.942","0.004","2982","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 N4 O19 Tb2 -","- C60 H64 N4 O19 Tb2 -","- C120 H128 N8 O38 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0758","0.0698","","","0.2064","0.2158","","","","","","1.222","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246521","9.8652","0.0007","13.8653","0.001","22.5242","0.0016","83.601","0.004","78.971","0.004","85.08","0.004","2998.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Eu2 N4 O19 -","- C60 H64 Eu2 N4 O19 -","- C120 H128 Eu4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0658","0.0565","","","0.1396","0.1449","","","","","","1.108","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246522","4.881","0.0002","36.8398","0.0013","8.6324","0.0003","90","","104.518","0.004","90","","1502.67","0.1","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0768","0.0605","","","0.1584","0.1772","","","","","","1.073","","","","has coordinates","283201","2023-05-05","01:19:38",""
"7246523","6.2342","0.0008","14.8463","0.0018","18.019","0.002","90","","90","","90","","1667.7","0.3","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C68 H56 F24 N8 O4 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1338","0.0742","","","0.1735","0.2074","","","","","","1.041","","","","has coordinates,has disorder","283201","2023-05-05","01:19:49",""
"7246524","4.9857","0.0008","10.6861","0.0012","16.2064","0.0017","78.81","0.009","83.66","0.011","88.872","0.011","841.84","0.19","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C34 H28 F12 N4 O2 -","2","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1663","0.0764","","","0.1901","0.2494","","","","","","1.025","","","","has coordinates,has disorder","283201","2023-05-05","01:20:02",""
"7246525","7.4706","0.0006","30.0542","0.0015","7.4459","0.0007","90","","117.037","0.012","90","","1489.1","0.3","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0784","0.0542","","","0.1297","0.1492","","","","","","1.048","","","","has coordinates","283201","2023-05-05","01:20:13",""
"7246526","7.9676","0.0007","8.5676","0.0007","9.6639","0.0008","90","","105.119","0.005","90","","636.85","0.09","176","2","176","2","","","","","","","","4","P 1 21 1","P 2yb","4","Phthalonitrile","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","1","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.0513","0.0407","","","0.097","0.1011","","","","","","1.055","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246527","6.2037","0.0007","6.6476","0.0008","15.677","0.002","90","","95.856","0.009","90","","643.14","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","organic compound","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","0.5","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.037","0.0294","","","0.0669","0.0696","","","","","","1.095","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246528","9.7944","0.0013","9.9395","0.0012","13.1845","0.0019","90","","97.554","0.009","90","","1272.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Organic compound","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","1","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.0806","0.0499","","","0.1194","0.1322","","","","","","1.041","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246529","17.0057","0.0019","47.058","0.004","35.948","0.004","90","","96.993","0.004","90","","28554","5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C1216 H1344 N192 O192 S64 -","64","16","","Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.","A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism","CrystEngComm","2023","25","21","3164","3170","10.1039/D2CE01693A","","","0.71073","MoKα","","0.0622","0.0439","","","0.1079","0.1163","","","","","","1.046","","","","has coordinates","284273","2023-06-05","04:28:23",""
"7246530","5.9862","0.0001","26.6117","0.0003","11.3914","0.0002","90","","101.668","0.001","90","","1777.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 Eu2 N2 O16 -","- C19 H20 Eu2 N2 O16 -","- C38 H40 Eu4 N4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0542","0.0525","","","0.1587","0.1596","","","","","","1.235","","","","has coordinates","283203","2023-05-05","01:20:43",""
"7246531","6.0396","0.0001","26.7827","0.0003","11.483","0.0002","90","","101.974","0.001","90","","1817.04","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H26 N4 O16 Pr2 -","- C23 H26 N4 O16 Pr2 -","- C46 H52 N8 O32 Pr4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0502","0.0487","","","0.1411","0.142","","","","","","1.216","","","","has coordinates","283203","2023-05-05","01:20:45",""
"7246532","6.0356","0.0001","26.7275","0.0004","11.4561","0.0002","90","","101.874","0.002","90","","1808.51","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 Nd2 O16 -","- C19 H20 N2 Nd2 O16 -","- C38 H40 N4 Nd4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.062","0.061","","","0.167","0.1674","","","","","","1.376","","","","has coordinates","283203","2023-05-05","01:20:55",""
"7246533","5.9578","0.0001","26.4881","0.0005","11.3463","0.0002","90","","101.548","0.002","90","","1754.32","0.06","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Tb2 -","- C19 H20 N2 O16 Tb2 -","- C38 H40 N4 O32 Tb4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0817","0.0776","","","0.1947","0.1966","","","","","","1.274","","","","has coordinates","283203","2023-05-05","01:20:59",""
"7246534","6.00619","0.00014","26.6761","0.0007","11.4263","0.0003","90","","101.705","0.003","90","","1792.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Sm2 -","- C19 H20 N2 O16 Sm2 -","- C38 H40 N4 O32 Sm4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.059","0.0573","","","0.1183","0.119","","","","","","1.0235","","","","has coordinates","283203","2023-05-05","01:21:10",""
"7246535","9.5113","0.0004","12.2963","0.0005","14.3259","0.0005","90","","90","","90","","1675.47","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0259","0.0258","","","0.0675","0.0676","","","","","","1.043","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246536","10.43482","0.00016","10.88547","0.00017","16.7749","0.0003","90","","95.4518","0.0015","90","","1896.81","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54184","CuKα","","0.0425","0.0344","","","0.0794","0.0856","","","","","","1.08","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246537","9.7147","0.0005","13.1197","0.0007","13.9392","0.0008","90","","90","","90","","1776.61","0.17","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0287","0.0284","","","0.0763","0.0768","","","","","","1.046","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246538","11.1727","0.0013","12.5417","0.0014","13.6848","0.0016","90","","90","","90","","1917.6","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C88 H128 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0772","0.0776","","","","","","1.088","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246539","10.1971","0.0006","13.0846","0.0008","13.6747","0.0008","90","","90","","90","","1824.55","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0252","0.025","","","0.0644","0.0645","","","","","","1.034","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246540","7.079","0.002","9.363","0.003","11.864","0.003","93.881","0.005","97.142","0.005","100.629","0.004","763.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C30 H40 Br2 N2 O4 -","2","1","","Zhang, Zhongyi; Hou, Zhong-Wei; Chen, Hao; Li, Pinhua; Wang, Lei","Electrochemical electrophilic bromination/spirocyclization of N-benzyl-acrylamides to brominated 2-azaspiro[4.5]decanes","Green Chemistry","2023","25","9","3543","3548","10.1039/D3GC00728F","","","0.71073","MoKα","","0.0643","0.0443","","","0.1089","0.1155","","","","","","0.996","","","","has coordinates","284281","2023-06-05","04:36:13",""
"7246541","6.676","0.0017","23.1","0.006","9.948","0.003","90","","94.562","0.004","90","","1529.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Zhang, Zhongyi; Hou, Zhong-Wei; Chen, Hao; Li, Pinhua; Wang, Lei","Electrochemical electrophilic bromination/spirocyclization of N-benzyl-acrylamides to brominated 2-azaspiro[4.5]decanes","Green Chemistry","2023","25","9","3543","3548","10.1039/D3GC00728F","","","0.71073","MoKα","","0.0492","0.0398","","","0.1031","0.1081","","","","","","1.019","","","","has coordinates","284281","2023-06-05","04:36:13",""
"7246542","8.7789","0.0005","10.3493","0.0006","11.4397","0.0006","96.56","0.002","102.11","0.002","102.726","0.002","977.14","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0473","0.0411","","","0.1075","0.1129","","","","","","1.05","","","","has coordinates,has disorder","284256","2023-06-05","04:22:08",""
"7246543","8.854","0.0004","10.4874","0.0005","11.4956","0.0006","96.485","0.002","102.37","0.002","102.734","0.002","1002.53","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 3-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0589","0.0477","","","0.133","0.1436","","","","","","1.051","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246544","12.3235","0.0007","13.4341","0.0008","13.8154","0.0008","107.75","0.002","93.267","0.002","102.939","0.002","2103.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.058","0.0437","","","0.1081","0.1208","","","","","","1.03","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246545","6.6428","0.0003","14.1206","0.0007","18.279","0.0009","90","","90","","90","","1714.58","0.14","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O6 S -","- C14 H26 N2 O6 S -","- C56 H104 N8 O24 S4 -","4","1","","Haku, Ryotaro; Takatori, Kazuhiko; Suzuki, Naoto; Ono, Makoto; Titapiwatanakun, Varin; Fukami, Toshiro","Exploration and characterization of a novel cocrystal hydrate consisting of captopril, an amino acid-derived drug","CrystEngComm","2023","25","17","2523","2533","10.1039/D3CE00181D","","","1.54187","CuKα","","0.0326","0.0321","","","0.0904","0.0908","","","","","","1.069","","","","has coordinates","283199","2023-05-05","01:19:09",""
"7246546","8.415","0.001","8.415","0.001","13.689","0.002","90","","90","","120","","839.48","0.19","273","2","273","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu","Metal-free, 2-MeTHF mediated C(sp)–H functionalization of alkynes with anilines to access diaryl 1,2-diketones bearing lower E-factors","Green Chemistry","2023","25","8","3034","3039","10.1039/D3GC00267E","","","0.71073","MoKα","","0.1336","0.0494","","","0.1259","0.2289","","","","","","0.771","","","","has coordinates","283361","2023-05-05","02:47:48",""
"7246547","11.302","0.002","14.387","0.003","11.454","0.002","90","","105.017","0.003","90","","1798.8","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Dy2 N12 O12 -","- C30 H34 Dy2 N12 O12 -","- C60 H68 Dy4 N24 O24 -","2","0.5","","Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping","Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations.","Physical chemistry chemical physics : PCCP","2023","25","16","11717","11724","10.1039/d2cp06074d","","","0.71073","MoKα","","0.0682","0.0396","","","0.0822","0.0917","","","","","","1.004","","","","has coordinates","283501","2023-05-05","03:33:20",""
"7246548","9.182","0.005","10.72","0.006","12.462","0.007","86.385","0.01","88.762","0.009","67.666","0.008","1132.4","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Dy2 N12 O18 -","- C30 H46 Dy2 N12 O18 -","- C30 H46 Dy2 N12 O18 -","1","0.5","","Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping","Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations.","Physical chemistry chemical physics : PCCP","2023","25","16","11717","11724","10.1039/d2cp06074d","","","0.71073","MoKα","","0.096","0.0614","","","0.1555","0.1824","","","","","","1.022","","","","has coordinates,has disorder","283501","2023-05-05","03:33:31",""
"7246549","8.1679","0.0007","14.8501","0.0012","11.1754","0.0011","90","","108.184","0.003","90","","1287.8","0.2","152","2","152","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 P2 Sn2 -","- C22 H36 Cl2 P2 Sn2 -","- C44 H72 Cl4 P4 Sn4 -","2","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0421","0.0351","","","0.0739","0.0759","","","","","","1.331","","","","has coordinates","282171","2023-04-01","01:28:57",""
"7246550","8.8758","0.0003","10.487","0.0003","12.352","0.0004","74.907","0.001","72.207","0.001","67.52","0.001","998","0.06","132","2","132","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H40 Cl4 F6 O6 P2 S2 Sn2 -","- C26 H40 Cl4 F6 O6 P2 S2 Sn2 -","- C26 H40 Cl4 F6 O6 P2 S2 Sn2 -","1","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0171","0.0159","","","0.0373","0.0378","","","","","","1.045","","","","has coordinates,has disorder","282171","2023-04-01","01:29:07",""
"7246551","18.1877","0.0009","11.4015","0.0009","19.3541","0.001","90","","101.731","0.002","90","","3929.6","0.4","222","2","222","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Cl4 O2 P2 Pt Sn2 -","- C30 H52 Cl4 O2 P2 Pt Sn2 -","- C120 H208 Cl16 O8 P8 Pt4 Sn8 -","4","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0379","0.0261","","","0.0507","0.0552","","","","","","1.032","","","","has coordinates,has disorder","282171","2023-04-01","01:29:19",""
"7246552","18.1277","0.0007","11.2789","0.0007","19.2577","0.0009","90","","101.435","0.002","90","","3859.3","0.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Cl4 O2 P2 Pd Sn2 -","- C30 H52 Cl4 O2 P2 Pd Sn2 -","- C120 H208 Cl16 O8 P8 Pd4 Sn8 -","4","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0178","0.0172","","","0.0433","0.0436","","","","","","1.148","","","","has coordinates,has disorder","282171","2023-04-01","01:29:24",""
"7246553","14.6726","0.0005","30.0339","0.0011","22.3253","0.0006","90","","94.917","0.001","90","","9802","0.6","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Ag Al2 Cl F72 O8 P2 Sn2 -","- C68 H52 Ag Al2 Cl F72 O8 P2 Sn2 -","- C272 H208 Ag4 Al8 Cl4 F288 O32 P8 Sn8 -","4","1","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0782","0.0637","","","0.1769","0.1927","","","","","","1.026","","","","has coordinates,has disorder","282171","2023-04-01","01:29:37",""
"7246554","12.54957","0.00013","5.45668","0.00004","21.5051","0.0003","90","","100.046","0.001","90","","1450.07","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Everaert, Jonas; Leus, Karen; Rijckaert, Hannes; Debruyne, Maarten; Van Hecke, Kristof; Morent, Rino; De Geyter, Nathalie; Van Speybroeck, Veronique; Van Der Voort, Pascal; Stevens, Christian V.","A recyclable rhodium catalyst anchored onto a bipyridine covalent triazine framework for transfer hydrogenation of N-heteroarenes in water","Green Chemistry","2023","25","8","3267","3277","10.1039/D3GC00167A","","x-ray","1.54184","CuKα","","0.0378","0.0351","","","0.0938","0.0962","","","","","","1.04","","","","has coordinates","283363","2023-05-05","02:48:25",""
"7246555","12.2982","0.0005","8.7867","0.0003","15.5899","0.0006","90","","109.228","0.004","90","","1590.68","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu I N3 O -","- C16 H15 Cu I N3 O -","- C64 H60 Cu4 I4 N12 O4 -","4","1","","Sethi, Subrat; Jana, Narayan Ch.; Panda, Surajit; Maharana, Suraj Kumar; Bagh, Bidraha","Copper(i)-catalyzed click chemistry in deep eutectic solvent for the syntheses of β-d-glucopyranosyltriazoles","RSC Advances","2023","13","15","10424","10432","10.1039/D3RA01844J","","","0.71073","MoKα","","0.0322","0.0271","","","0.0623","0.0644","","","","","","1.038","","","","has coordinates","282232","2023-04-04","01:24:18",""
"7246556","8.6155","0.0001","13.2164","0.0001","15.0988","0.0001","90","","99.698","0.001","90","","1694.67","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isoq","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Wang, Delong; Li, Min; Li, Jing; Fang, Yali; Zhang, Zhijia","Synthesis of 3,4-dihydroisoquinolin-1(2H)-one derivatives and their antioomycete activity against the phytopathogen Pythium recalcitrans","RSC Advances","2023","13","16","10523","10541","10.1039/D3RA00855J","","x-ray","1.54184","CuKα","","0.0388","0.038","","","0.0995","0.1","","","","","","1.041","","","","has coordinates","282233","2023-04-04","01:24:46",""
"7246557","10.1046","0.0004","10.418","0.0003","10.9661","0.0004","97.31","0.0013","99.4725","0.0013","107.454","0.0012","1066.93","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","Chlorofurancembranoid B","","- C20 H35 Cl O4 -","- C20 H35 Cl O4 -","- C40 H70 Cl2 O8 -","2","2","","Tseng, Hsuan-Jung; Kuo, Liang-Mou; Tsai, Yu-Chi; Hu, Hao-Chun; Chen, Po-Jen; Chien, Su-Ying; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sinulariaone A: a novel diterpenoid with a 13-membered carbocyclic skeleton from an octocoral Sinularia species","RSC Advances","2023","13","15","10408","10413","10.1039/D3RA01589K","","","0.71073","MoKα","","0.0946","0.0561","","","0.1188","0.1511","","","","","","1.086","","","","has coordinates","282234","2023-04-04","01:25:27",""
"7246558","9.0173","0.0003","10.8659","0.0003","18.6542","0.0006","90","","90","","90","","1827.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sinulariaone","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Tseng, Hsuan-Jung; Kuo, Liang-Mou; Tsai, Yu-Chi; Hu, Hao-Chun; Chen, Po-Jen; Chien, Su-Ying; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sinulariaone A: a novel diterpenoid with a 13-membered carbocyclic skeleton from an octocoral Sinularia species","RSC Advances","2023","13","15","10408","10413","10.1039/D3RA01589K","","","1.54178","CuKα","","0.068","0.0601","","","0.1637","0.1772","","","","","","1.264","","","","has coordinates","282234","2023-04-04","01:25:39",""
"7246559","14.7676","0.0003","19.8952","0.0005","23.4556","0.0005","65.078","0.001","80.373","0.001","86.046","0.001","6161.6","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Eu F12 N O9 -","- C70 H54 Eu F12 N O9 -","- C280 H216 Eu4 F48 N4 O36 -","4","2","","Yin, Sen; Li, Xiaomeng; Wang, Hongjing; Li, Jingya; Huang, Wenru; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Coordination-driven self-assembly of a sandwich shaped Eu(iii) complex for induced circularly polarized luminescence","CrystEngComm","2023","25","10","1541","1549","10.1039/D3CE00030C","","x-ray","0.71073","MoKα","","0.0846","0.049","","","0.0944","0.1103","","","","","","1.015","","","","has coordinates,has disorder","282235","2023-04-04","01:51:06",""
"7246560","9.7371","0.0009","10.1536","0.001","12.7652","0.0012","102.012","0.003","94.177","0.002","110.29","0.002","1143.27","0.19","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C60 H56 O6 -","2","1","","Nandi, Shantanu; Das, Pritha; Das, Subhodeep; Mondal, Shuvam; Jana, Ranjan","Visible-light-mediated β-acylative divergent alkene difunctionalization with Katritzky salt/CO2","Green Chemistry","2023","25","9","3633","3643","10.1039/D3GC00143A","","","1.54178","CuKα","","0.0689","0.0676","","","0.1901","0.1918","","","","","","1.045","","","","has coordinates","284284","2023-06-05","04:36:39",""
"7246561","8.998","0.0002","11.5521","0.0002","18.5351","0.0004","79.764","0.001","84.293","0.001","67.467","0.001","1750.2","0.06","298","","298","","","","","","","","","3","P -1","-P 1","2","","SNAN-966","","- C44 H36 O6 -","- C44 H36 O6 -","- C88 H72 O12 -","2","1","","Nandi, Shantanu; Das, Pritha; Das, Subhodeep; Mondal, Shuvam; Jana, Ranjan","Visible-light-mediated β-acylative divergent alkene difunctionalization with Katritzky salt/CO2","Green Chemistry","2023","25","9","3633","3643","10.1039/D3GC00143A","","","1.54178","CuKα","","0.0788","0.0684","","","0.1755","0.1871","","","","","","1.098","","","","has coordinates","284284","2023-06-05","04:36:39",""
"7246562","7.3344","0.0002","14.2208","0.0004","24.1002","0.0006","90","","90","","90","","2513.68","0.12","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","A9","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C112 H140 N4 O16 -","4","1","","Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee","Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240","RSC Advances","2023","13","16","10564","10576","10.1039/D3RA00042G","","x-ray","1.54178","CuKα","K-L~3~","0.0426","0.0408","","","0.1158","0.1179","","","","","","1.049","","","","has coordinates","282364","2023-04-05","01:15:01",""
"7246563","14.0756","0.0016","14.0756","0.0016","26.584","0.004","90","","90","","90","","5266.9","1.2","273.15","","273.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","A12","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee","Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240","RSC Advances","2023","13","16","10564","10576","10.1039/D3RA00042G","","x-ray","1.54178","CuKα","K-L~3~","0.0639","0.062","","","0.1663","0.1702","","","","","","1.095","","","","has coordinates","282364","2023-04-05","01:15:02",""
"7246564","7.3747","0.0004","8.7258","0.0004","13.7648","0.0007","80.5679","0.0015","82.5851","0.0015","86.1805","0.0015","865.55","0.08","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F3 N2 S -","- C19 H18 B F3 N2 S -","- C38 H36 B2 F6 N4 S2 -","2","1","","Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl","A new green-to-blue upconversion system with efficient photoredox catalytic properties.","Physical chemistry chemical physics : PCCP","2023","25","17","12041","12049","10.1039/d3cp00811h","","x-ray","0.71073","MoKα","","0.0442","0.037","","","0.0986","0.104","","","","","","1.039","","","","has coordinates","283497","2023-05-05","03:31:34",""
"7246565","16.7902","0.0017","16.967","0.0016","17.0009","0.0015","117.894","0.003","101.58","0.004","107.565","0.004","3729.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 B Br F3 N2 S -","- C19 H17 B Br F3 N2 S -","- C152 H136 B8 Br8 F24 N16 S8 -","8","4","","Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl","A new green-to-blue upconversion system with efficient photoredox catalytic properties.","Physical chemistry chemical physics : PCCP","2023","25","17","12041","12049","10.1039/d3cp00811h","","x-ray","0.71073","MoKα","","0.0644","0.0379","","","0.0739","0.0835","","","","","","1.029","","","","has coordinates","283497","2023-05-05","03:31:35",""
"7246566","16.7971","0.0006","10.4049","0.0004","20.9204","0.0008","90","","92.477","0.003","90","","3652.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N9 S3 -","- C42 H33 N9 S3 -","- C168 H132 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1273","0.0628","","","0.1529","0.1913","","","","","","1.042","","","","has coordinates","283197","2023-05-05","01:18:44",""
"7246567","16.252","0.0005","9.079","0.0003","23.6755","0.0006","90","","94.965","0.003","90","","3480.26","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 N9 S3 -","- C41 H31 N9 S3 -","- C164 H124 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1051","0.0623","","","0.1678","0.1993","","","","","","1.029","","","","has coordinates","283197","2023-05-05","01:18:48",""
"7246568","11.1814","0.0003","14.2429","0.0004","16.0263","0.0005","65.064","0.003","71.346","0.003","81.023","0.002","2192.11","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 N9 S3 -","- C45 H39 N9 S3 -","- C90 H78 N18 S6 -","2","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1003","0.0616","","","0.1509","0.1704","","","","","","1.051","","","","has coordinates,has disorder","283197","2023-05-05","01:18:48",""
"7246569","11.1802","0.0006","9.6493","0.0006","15.1332","0.0008","90","","90","","90","","1632.59","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 N3 P S -","- C12 H30 N3 P S -","- C48 H120 N12 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0404","0.0362","","","0.0883","0.0912","","","","","","1.056","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246570","9.0129","0.0007","10.0163","0.0007","10.472","0.0007","64.525","0.007","76.954","0.006","66.104","0.007","778.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N2 O3 P -","- C17 H15 N2 O3 P -","- C34 H30 N4 O6 P2 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1053","0.1159","","","","","","1.036","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246571","9.4456","0.0002","12.1063","0.0002","14.6424","0.0003","90","","90","","90","","1674.38","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N6 P S -","- C15 H15 N6 P S -","- C60 H60 N24 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0254","0.0246","","","0.0628","0.0636","","","","","","1.052","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246572","11.2653","0.0002","19.0533","0.0004","8.9226","0.0002","90","","99.3906","0.0019","90","","1889.49","0.07","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl N2 O2 P -","- C18 H28 Cl N2 O2 P -","- C72 H112 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.0326","0.0312","","","0.053","0.0537","","","","2.14","2.14","2.12","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246573","6.0515","0.0002","17.9235","0.0008","19.304","0.0008","90","","93.157","0.003","90","","2090.61","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl N2 O2 P -","- C20 H32 Cl N2 O2 P -","- C80 H128 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.062","0.0513","","","0.0607","0.0632","","","","1.75","1.75","1.62","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246574","28.207","0.001","6.1502","0.0002","22.3583","0.0007","90","","117.563","0.002","90","","3438.5","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H40 N6 O9 -","- C30 H38 N6 O9 -","- C120 H152 N24 O36 -","4","1","","Shang, Jia-Huan; Qiao, Yi-Jun; Zhu, Hong-Tao; Wang, Dong; Yang, Chong-Ren; Zhang, Ying-Jun","Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation","RSC Advances","2023","13","16","11037","11043","10.1039/D3RA00720K","","","1.54178","CuKα","","0.0435","0.0381","","","0.1152","0.1223","","","","","","0.918","","","","has coordinates","282495","2023-04-07","01:28:00",""
"7246575","9.8309","0.0004","9.8954","0.0004","20.6193","0.0007","92.308","0.003","91.398","0.003","107.015","0.003","1915.13","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O6 -","- C21 H21 N3 O6 -","- C84 H84 N12 O24 -","4","2","","Lu, Zhongyu; Chen, Hankun; Mo, Jiaxin; Yuan, Xiaohong; Wang, Dawei; Zheng, Xianhui; Zhu, Wei","Cocrystal of phloretin with isoniazid: preparation, characterization, and evaluation","RSC Advances","2023","13","16","10914","10922","10.1039/D3RA00750B","","x-ray","1.54184","CuKα","","0.0932","0.0878","","","0.2537","0.2574","","","","","","1.044","","","","has coordinates","282496","2023-04-07","01:28:30",""
"7246576","8.806","0.002","9.11","0.003","23.923","0.006","90","","96.827","0.006","90","","1905.6","0.9","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N4 O4 -","- C19 H18 Cu N4 O4 -","- C76 H72 Cu4 N16 O16 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0625","0.0441","","","0.0989","0.1067","","","","","","1.044","","","","has coordinates","284252","2023-06-05","04:20:58",""
"7246577","13.4822","0.0009","10.2082","0.0007","19.4797","0.0013","90","","105.29","0.002","90","","2586.1","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu4 N6 O22 -","- C48 H50 Cu4 N6 O22 -","- C96 H100 Cu8 N12 O44 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1031","0.0501","","","0.0933","0.11","","","","","","0.996","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246578","13.4355","0.0011","14.4906","0.0012","8.9824","0.0007","90","","99.255","0.002","90","","1726","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C68 H72 Cu4 N8 O20 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0604","0.0421","","","0.1033","0.1106","","","","","","1.053","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246579","9.1259","0.0007","13.4355","0.001","14.5446","0.0011","90","","90","","90","","1783.3","0.2","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15.5 Cu N2 O4.25 -","- C18 H15.5 Cu N2 O4.2499 -","- C72 H62 Cu4 N8 O16.9996 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0825","0.0626","","","0.1297","0.1397","","","","","","1.028","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246580","9.193","0.002","12.176","0.005","20.62","0.008","90","","98.301","0.018","90","","2283.9","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cu N2 O8.5 -","- C22 H25 Cu N2 O8.5 -","- C88 H100 Cu4 N8 O34 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1371","0.0883","","","0.1828","0.2072","","","","","","1.002","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246581","20.737","0.004","8.442","0.0017","40.952","0.008","90","","97.09","0.03","90","","7114","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N6 O21 -","- C64 H80 Cu4 N6 O21 -","- C256 H320 Cu16 N24 O84 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.788","","","0.1042","0.0864","","","0.2121","0.2228","","","","","","1.039","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246582","24.8208","0.0014","19.2806","0.0011","13.1952","0.0008","90","","95.625","0.001","90","","6284.3","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cu4 N8 O24 -","- C60 H72 Cu4 N8 O24 -","- C240 H288 Cu16 N32 O96 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1046","0.0587","","","0.1471","0.1714","","","","","","1.016","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246583","16.7676","0.0006","13.2787","0.0005","17.0342","0.0006","90","","117.98","0.002","90","","3349.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H87 Cu4 N6 O21.5 -","- C64 H87 Cu4 N6 O21.5 -","- C128 H174 Cu8 N12 O43 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0404","0.0331","","","0.089","0.0934","","","","","","1.067","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246584","8.7502","0.0003","9.7243","0.0003","16.258","0.0005","97.669","0.003","90.451","0.003","112.261","0.002","1266.25","0.07","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Zhang, Min; Wang, Min-Yu; Yu, Yue-Ming; Meng, Su-Su; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Supramolecular self-assembly with p-coumaric acid offers the first cocrystal for perfecting the physicochemical peculiarity and enhancing the antifungal effect of drug bifonazole","CrystEngComm","2023","25","18","2789","2801","10.1039/D3CE00082F","","","1.54186","CuKα","","0.0718","0.0654","","","0.1749","0.1818","","","","","","1.045","","","","has coordinates","284267","2023-06-05","04:25:37",""
"7246585","21.0625","0.0004","11.03858","0.00013","34.7488","0.0004","90","","98.5112","0.0013","90","","7990.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C85 H79 Eu2 N9 O20 -","- C85 H79 Eu2 N9 O20 -","- C340 H316 Eu8 N36 O80 -","4","0.5","","Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping","Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions","CrystEngComm","2023","25","18","2813","2823","10.1039/D3CE00142C","","","1.54184","CuKα","","0.0537","0.042","","","0.101","0.1096","","","","","","1.039","","","","has coordinates","284264","2023-06-05","04:24:39",""
"7246586","6.925","0.003","27.776","0.011","9.963","0.005","90","","106.46","0.03","90","","1837.8","1.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 N4 O3 -","- C19 H12 F4 N4 O3 -","- C76 H48 F16 N16 O12 -","4","1","","Meng, Xiao; Xu, Shu; Chen, Changqing; Guo, Lihui; Ma, Yuguo","Topochemical 1,3-dipolar cycloaddition polymerization assisted by non-covalent interactions","CrystEngComm","2023","25","18","2706","2711","10.1039/D3CE00105A","","","0.71073","MoKα","","0.1017","0.0869","","","0.207","0.2163","","","","","","1.192","","","","has coordinates","284266","2023-06-05","04:25:22",""
"7246587","9.197","0.0004","9.197","0.0004","14.6568","0.0007","90","","90","","90","","1239.74","0.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C16 H64 N32 O32 -","16","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0353","0.0321","","","0.0988","0.1201","","","","","","1.252","","","","has coordinates","284261","2023-06-05","04:24:05",""
"7246588","8.3422","0.001","4.8944","0.0006","8.7962","0.001","90","","122.423","0.003","90","","303.16","0.06","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxyurea","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0598","0.0595","","","0.1743","0.1745","","","","","","1.164","","","","has coordinates","284261","2023-06-05","04:24:12",""
"7246589","6.9028","0.0005","8.9565","0.0006","10.5916","0.0006","85.62","0.005","85.234","0.005","85.915","0.005","649.27","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H11 Ag2 Cl I2 N2 -","- C6 H11 Ag2 Cl I2 N2 -","- C12 H22 Ag4 Cl2 I4 N4 -","2","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","1.3401270,GaKα","","0.0449","0.0354","","","0.0954","0.1022","","","","","","1.095","","","","has coordinates","282607","2023-04-12","01:22:56",""
"7246590","8.8428","0.0008","9.302","0.0008","10.6838","0.0009","89.565","0.007","87.391","0.007","82.121","0.007","869.6","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Au2 Cl2 N4 -","- C12 H20 Au2 Cl2 N4 -","- C24 H40 Au4 Cl4 N8 -","2","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","","0.71073","MoKα","","0.0521","0.0494","","","0.1385","0.1408","","","","","","1.088","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246591","8.1801","0.0005","10.8418","0.0005","11.6849","0.0007","90","","90","","90","","1036.3","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cl Cu N2 -","- C8 H14 Cl Cu N2 -","- C32 H56 Cl4 Cu4 N8 -","4","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","GaKα","","0.061","0.0454","","","0.1024","0.1072","","","","","","0.961","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246592","14.2028","0.0005","9.0399","0.0003","17.3181","0.0006","90","","101.08","0.003","90","","2182.06","0.13","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Ag Cl3 Hg N4 -","- C16 H28 Ag Cl3 Hg N4 -","- C64 H112 Ag4 Cl12 Hg4 N16 -","4","0.5","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","GaKα","","0.0257","0.0239","","","0.061","0.0618","","","","","","1.058","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246593","15.4741","0.0006","6.5845","0.0003","12.3744","0.0004","90","","106.701","0.003","90","","1207.63","0.08","180","","180","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H14 Ag I N2 -","- C8 H14 Ag I N2 -","- C32 H56 Ag4 I4 N8 -","4","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","","1.34143","GaKα","","0.0751","0.075","","","0.198","0.1985","","","","","","1.064","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246594","14.584","0.003","8.8898","0.0016","17.322","0.003","90","","103.395","0.014","90","","2184.7","0.7","213","","213","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Cl3 Cu Hg N4 -","- C16 H28 Cl3 Cu Hg N4 -","- C64 H112 Cl12 Cu4 Hg4 N16 -","4","0.5","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","0.71073","MoKα","","0.0355","0.0252","","","0.0485","0.0492","","","","","","0.832","","","","has coordinates,has disorder","282607","2023-04-12","01:22:57",""
"7246595","5.72733","0.00003","5.72733","0.00003","28.177","0.0003","90","","90","","120","","800.442","0.01","298","","298","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","ordered hexagonal perovskite","- Ba4 Mn3 O12 Sb -","- Ba4 Mn2.999 O12 Sb1.001 -","- Ba12 Mn8.997 O36 Sb3.003 -","3","0.0833333","","Yan, Xiaohui; Wu, Junkun; Lei, Xiuyun; He, Lunhua; Guo, Wenbin; Kuang, Xiaojun; Yin, Congling","Magnetic clusters and ferromagnetic spin glass in the novel hexagonal perovskite 12R-Ba4SbMn3O12","RSC Advances","2023","13","17","11234","11240","10.1039/D3RA00607G","","","1.5418","","","","","","","","","","","","","","","","","","has coordinates","282608","2023-04-12","01:24:09",""
"7246596","14.183","0.0007","10.8572","0.0005","15.1649","0.0007","90","","112.574","0.002","90","","2156.29","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 N10 Ni2 O4 -","- C40 H66 N10 Ni2 O4 -","- C80 H132 N20 Ni4 O8 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0454","0.0334","","","0.0823","0.0878","","","","","","1.045","","","","has coordinates","282610","2023-04-12","01:26:16",""
"7246597","9.2184","0.0007","18.385","0.0012","11.5306","0.0007","90","","96.09","0.003","90","","1943.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N8 Ni2 O4 -","- C40 H52 N8 Ni2 O4 -","- C80 H104 N16 Ni4 O8 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0702","0.0453","","","0.0881","0.0966","","","","","","1.089","","","","has coordinates","282610","2023-04-12","01:26:27",""
"7246598","11.489","0.004","14.894","0.005","10.892","0.004","90","","108.741","0.011","90","","1765","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N10 Ni2 O8 -","- C32 H46 N10 Ni2 O8 -","- C64 H92 N20 Ni4 O16 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0582","0.0384","","","0.0755","0.0822","","","","","","1.022","","","","has coordinates","282610","2023-04-12","01:26:31",""
"7246599","11.0841","0.0005","14.703","0.0007","11.4961","0.0005","90","","95.432","0.002","90","","1865.1","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N8 Ni2 O6 -","- C36 H56 N8 Ni2 O6 -","- C72 H112 N16 Ni4 O12 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0716","0.0387","","","0.0775","0.0901","","","","","","1.015","","","","has coordinates,has disorder","282610","2023-04-12","01:26:34",""
"7246600","14.9397","0.0009","16.9091","0.0009","15.1735","0.0009","90","","91.85","0.002","90","","3831.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 N12 Ni2 O4 -","- C34 H56 N12 Ni2 O4 -","- C136 H224 N48 Ni8 O16 -","4","1","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0708","0.0423","","","0.0992","0.1121","","","","","","1.006","","","","has coordinates","282610","2023-04-12","01:26:37",""
"7246601","10.4277","0.0008","19.5733","0.0014","18.0962","0.0013","90","","95.491","0.002","90","","3676.6","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 N8 Ni2 O6 -","- C34 H52 N8 Ni2 O6 -","- C136 H208 N32 Ni8 O24 -","4","1","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0848","0.0456","","","0.0913","0.108","","","","","","1.038","","","","has coordinates,has disorder","282610","2023-04-12","01:26:47",""
"7246602","22.299","0.004","19.031","0.003","9.0106","0.0017","90","","93.165","0.007","90","","3818","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 Br4 N16 Ni4 O12 -","- C68 H100 Br4 N16 Ni4 O12 -","- C136 H200 Br8 N32 Ni8 O24 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0602","0.0484","","","0.1323","0.138","","","","","","1.161","","","","has coordinates","282610","2023-04-12","01:26:50",""
"7246603","11.8236","0.0003","18.2885","0.0004","10.8047","0.0002","90","","115.053","0.001","90","","2116.55","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 N14 Ni2 O4 -","- C36 H58 N14 Ni2 O4 -","- C72 H116 N28 Ni4 O8 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0366","0.0286","","","0.0705","0.0738","","","","","","1.05","","","","has coordinates","282610","2023-04-12","01:27:00",""
"7246604","7.909","0.00013","3.95477","0.00007","7.94357","0.00013","90","","90.0831","0.0015","90","","248.461","0.007","293","0.1","293","0.1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","Europium disulfide","Europium (III) disulfide","","- Eu S2 -","- Eu S2 -","- Eu4 S8 -","4","1","","Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.","Structural, optical and transport properties of layered europium disulfide synthesized under high pressure","CrystEngComm","2023","25","19","2966","2978","10.1039/D2CE01647H","","x-ray","0.71073","MoKα","","0.0144","0.0121","","","0.0229","0.0232","","","","","","1.074","","","","has coordinates","284250","2023-06-05","04:20:31",""
"7246605","6.607","0.002","10.064","0.002","21.6","0.004","90","","90","","90","","1436.2","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.112","0.0627","","","0.1339","0.1528","","","","","","1.015","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246606","7.817","0.015","18.49","0.03","11.24","0.02","90","","96.61","0.04","90","","1614","5","296","2","296","2","","","","","","","","4","I 1 c 1","I -2yc","9","","","","- C18 H14 Cl2 N2 -","- C18 H14 Cl2 N2 -","- C72 H56 Cl8 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.061","0.048","","","0.1152","0.1238","","","","","","1.089","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246607","12.96","0.005","18.557","0.01","7.814","0.003","90","","120.687","0.009","90","","1616.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 Br2 N2 -","- C18 H14 Br2 N2 -","- C72 H56 Br8 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.1275","0.0529","","","0.0992","0.1278","","","","","","0.92","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246608","14.852","0.003","8.3709","0.0017","15.745","0.003","90","","111.498","0.004","90","","1821.3","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O3 S Se -","- C19 H19 N O3 S Se -","- C76 H76 N4 O12 S4 Se4 -","4","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.0802","0.0406","","","0.0854","0.0967","","","","","","1.033","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246609","6.042","0.0006","7.1534","0.0007","41.598","0.004","90","","91.97","0.002","90","","1796.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 Se -","- C19 H19 N O4 Se -","- C76 H76 N4 O16 Se4 -","4","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.079","0.0442","","","0.078","0.0873","","","","","","1.036","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246610","9.9532","0.0009","24.647","0.002","17.5152","0.0015","90","","90","","90","","4296.8","0.6","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N O3 S Se -","- C23 H18 Br N O3 S Se -","- C184 H144 Br8 N8 O24 S8 Se8 -","8","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.0625","0.0333","","","0.0606","0.0691","","","","","","1.006","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246611","10.3022","0.0005","17.0112","0.0008","13.9944","0.0007","90","","109.803","0.002","90","","2307.5","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O8 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.043","0.0336","","","0.0797","0.0843","","","","","","1.05","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246612","9.3209","0.0004","9.6054","0.0004","10.9253","0.0005","97.395","0.001","92.419","0.001","103.814","0.001","939.25","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0402","0.0372","","","0.0982","0.101","","","","","","1.047","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246613","15.4865","0.0006","7.7516","0.0003","21.7882","0.0009","90","","107.48","0.001","90","","2494.79","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H44 N4 O15 Zn3 -","- C56 H44 N4 O15 Zn3 -","- C112 H88 N8 O30 Zn6 -","2","0.5","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.048","0.0429","","","0.1154","0.12","","","","","","1.085","","","","has coordinates,has disorder","284259","2023-06-05","04:23:37",""
"7246614","21.1334","0.0008","10.3316","0.0004","26.5739","0.0008","90","","121.011","0.002","90","","4972.9","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N4 O16 Zn4 -","- C54 H32 N4 O16 Zn4 -","- C216 H128 N16 O64 Zn16 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0537","0.042","","","0.1058","0.1125","","","","","","1.023","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246615","8.2815","0.0003","16.5697","0.0001","4.7742","0.0003","90","","90","","90","","655.13","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.1267","0.0624","","","0.1222","0.1519","","","","","","1.052","","","","has coordinates","284276","2023-06-05","04:28:46",""
"7246616","3.6672","0.0003","24.648","0.002","7.3252","0.0007","90","","98.28","0.003","90","","655.22","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0489","0.0386","","","0.0821","0.0881","","","","","","1.063","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246617","12.714","0.0016","8.0602","0.001","7.0415","0.0008","90","","95.899","0.003","90","","717.77","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C0.86 H1.71 N2.29 O0.57 -","- C0.857143 H1.71429 N2.28571 O0.571429 -","- C12 H24 N32 O8 -","14","3.5","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0506","0.0376","","","0.0848","0.0913","","","","","","1.111","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246618","12.9556","0.0015","8.7565","0.001","6.4841","0.0008","90","","104.077","0.003","90","","713.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O -","- C3 H7 N9 O -","- C12 H28 N36 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0794","0.0572","","","0.1306","0.1412","","","","","","1.178","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246619","7.7755","0.001","9.6671","0.0012","16.403","0.002","91.184","0.003","91.699","0.003","92.084","0.002","1231.3","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0523","0.0409","","","0.1043","0.1127","","","","","","1.034","","","","has coordinates","287935","2023-12-01","15:08:13",""
"7246620","7.8919","0.0015","11.242","0.002","14.8","0.003","76.592","0.004","81.917","0.004","76.998","0.004","1239.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0602","0.0427","","","0.0978","0.1073","","","","","","1.015","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246621","7.8166","0.0016","9.981","0.002","16.223","0.003","87.546","0.004","89.183","0.004","88.641","0.004","1264.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Cl3 N O2 -","- C27 H30 Cl3 N O2 -","- C54 H60 Cl6 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0423","0.0357","","","0.0952","0.1005","","","","","","1.034","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246622","7.938","0.009","11.115","0.013","15.689","0.018","74.87","0.02","87.11","0.02","83.09","0.02","1326","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl5 N O2 -","- C27 H28 Cl5 N O2 -","- C54 H56 Cl10 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0735","0.0541","","","0.1418","0.1578","","","","","","1.021","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246623","17.9201","0.001","18.1588","0.0007","18.7085","0.0011","90","","119.419","0.008","90","","5302.9","0.6","363.15","","363.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","0.71073","MoKα","","0.1802","0.1527","","","0.4202","0.4444","","","","","","1.791","","","","has coordinates,has disorder","283498","2023-05-05","03:31:49",""
"7246624","17.0591","0.0006","17.8559","0.0004","18.1668","0.0007","90","","117.356","0.005","90","","4914.9","0.4","123.15","","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","0.71073","MoKα","","0.0462","0.0429","","","0.1141","0.1166","","","","","","1.032","","","","has coordinates","283498","2023-05-05","03:31:49",""
"7246625","17.84431","0.00005","18.07445","0.00013","18.68645","0.00007","90","","119.136","0.0002","90","","5264.28","0.05","350","2","350","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","1","neutrons","","0.2435","0.1206","","","0.2902","0.3493","","","","","","1.151","","","","has coordinates,has disorder","283498","2023-05-05","03:31:49",""
"7246626","17.09","0.003","17.886","0.002","18.179","0.003","90","","117.147","0.01","90","","4944.7","1.4","130","1","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","1","neutrons","","0.14","0.0654","","","0.1259","0.1466","","","","","","1.053","","","","has coordinates","283498","2023-05-05","03:31:49",""
"7246627","7.483","0.0003","5.9649","0.0002","55.0355","0.0014","90","","101.485","0.003","90","","2407.34","0.14","160.15","","160.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 S3 -","- C36 H20 S3 -","- C144 H80 S12 -","4","1","","Lou, Yunpeng; Shi, Rui; Yu, Li; Jiang, Ting; Zhang, Haoquan; Zhang, Lifeng; Hu, Yongxu; Ji, Deyang; Sun, Yajing; Li, Jie; Li, Liqiang; Hu, Wenping","A new dithieno[3,2-b:2′,3′-d]thiophene derivative for high performance single crystal organic field-effect transistors and UV-sensitive phototransistors","RSC Advances","2023","13","17","11706","11711","10.1039/D3RA00600J","","","1.54184","CuKα","","0.1216","0.0679","","","0.1344","0.1611","","","","","","1.043","","","","has coordinates","282646","2023-04-15","01:08:24",""
"7246628","11.3032","0.0004","9.775","0.0003","47.7728","0.0014","90","","93.4935","0.0009","90","","5268.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H36 O8 -","- C62 H36 O8 -","- C248 H144 O32 -","4","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.0775","0.0623","","","0.13","0.1373","","","","","","1.104","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246629","10.4851","0.0005","17.0154","0.0008","24.7946","0.0011","89.7118","0.0011","89.6383","0.0012","82.0544","0.0012","4381","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C149 H119 N5 O21 Zn4 -","2","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.1075","0.1034","","","0.3158","0.3259","","","","","","1.584","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246630","4.0174","0.0005","24.741","0.0018","13.0728","0.001","90","","95.086","0.005","90","","1294.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.0743","0.049","","","0.0968","0.1047","","","","","","1.041","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246631","16.3862","0.0016","20.785","0.002","7.6276","0.0009","90","","100.272","0.006","90","","2556.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C88 H48 F8 N16 S24 Se8 -","4","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.1001","0.0511","","","0.097","0.1149","","","","","","1.022","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246632","11.1356","0.0018","13.457","0.002","15.87","0.002","90","","103.005","0.004","90","","2317.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O16 -","- C44 H36 Cd2 N8 O16 -","- C88 H72 Cd4 N16 O32 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.1056","0.036","","","0.0662","0.0936","","","","","","0.968","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246633","11.0553","0.0007","13.6054","0.001","15.7426","0.001","90","","104.307","0.002","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N8 O16 Zn2 -","- C44 H36 N8 O16 Zn2 -","- C88 H72 N16 O32 Zn4 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0863","0.0628","","","0.1158","0.1243","","","","","","1.088","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246634","9.2175","0.0003","11.0467","0.0005","13.4532","0.0006","104.477","0.002","101.662","0.002","109.627","0.001","1186.22","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N2 O9 -","- C24 H22 Cd N2 O9 -","- C48 H44 Cd2 N4 O18 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0693","0.0448","","","0.092","0.1033","","","","","","1.049","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246635","12.3981","0.0006","8.4459","0.0003","15.1806","0.0007","90","","104.276","0.002","90","","1540.52","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Cd2 N O16 -","- C27 H25 Cd2 N O16 -","- C54 H50 Cd4 N2 O32 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0292","0.0272","","","0.0645","0.0658","","","","","","1.037","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246636","11.7905","0.0004","11.7905","0.0004","23.9682","0.0008","90","","90","","90","","3331.96","0.19","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H26 N2 O14 Zn2 -","- C34 H26 N2 O14 Zn2 -","- C136 H104 N8 O56 Zn8 -","4","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0336","0.0298","","","0.081","0.0836","","","","","","1.035","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246637","6.1791","0.0001","15.1836","0.0002","14.4771","0.0002","90","","95.557","0.001","90","","1351.87","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 Br2 O6 -","- C26 H30 Br2 O6 -","- C52 H60 Br4 O12 -","2","1","","Qiu, Huixin; Ren, Jiayi; Zhang, Long; Song, Ran; Si, Wen; Yang, Daoshan; Wen, Lirong; Lv, Jian","Enantioselective Meerwein–Ponndorf–Verley reduction of β,γ-unsaturated α-keto esters by asymmetric binary-acid catalysis in the green solvent iPrOH","Green Chemistry","2023","25","10","3948","3955","10.1039/D2GC03441G","","x-ray","1.54184","CuKα","","0.0312","0.0304","","","0.0864","0.0872","","","","","","1.099","","","","has coordinates,has disorder","284277","2023-06-05","04:35:31",""
"7246638","6.6397","0.0002","10.0511","0.0003","28.1099","0.0009","90","","93.84","0.002","90","","1871.74","0.1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl F3 N6 O2 -","- C17 H18 Cl F3 N6 O2 -","- C68 H72 Cl4 F12 N24 O8 -","4","1","","Willems, Henriëtte M. G.; Edwards, Simon; Boffey, Helen K.; Chawner, Stephen J.; Green, Christopher; Romero, Tamara; Winpenny, David; Skidmore, John; Clarke, Jonathan H.; Andrews, Stephen P.","Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00039G","","","1.54178","CuKα","","0.0422","0.0348","","","0.0847","0.0894","","","","","","1.06","","","","has coordinates","282683","2023-04-18","00:00:01",""
"7246639","11.3629","0.0003","7.1919","0.0002","22.2901","0.0006","90","","101.206","0.0012","90","","1786.84","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N5 O -","- C19 H15 Cl2 N5 O -","- C76 H60 Cl8 N20 O4 -","4","1","","Willems, Henriëtte M. G.; Edwards, Simon; Boffey, Helen K.; Chawner, Stephen J.; Green, Christopher; Romero, Tamara; Winpenny, David; Skidmore, John; Clarke, Jonathan H.; Andrews, Stephen P.","Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00039G","","","1.54178","CuKα","","0.036","0.0306","","","0.0746","0.0772","","","","","","1.061","","","","has coordinates","282683","2023-04-18","00:00:02",""
"7246640","10.227","0.005","13.29","0.008","14.005","0.007","105.691","0.01","95.959","0.008","90.075","0.009","1821.8","1.7","143","","143","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 B10 -","- C18 H20 B10 -","- C72 H80 B40 -","4","2","","Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki","Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene.","Physical chemistry chemical physics : PCCP","2023","25","16","11839","11844","10.1039/d3cp00334e","","","0.71075","MoKα","","0.212","0.1185","","","0.2348","0.2859","","","","","","1.078","","","","has coordinates","283500","2023-05-05","03:33:07",""
"7246641","10.943","0.003","11.516","0.003","14.661","0.004","90","","90.013","0.005","90","","1847.6","0.9","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 B10 -","- C18 H20 B10 -","- C72 H80 B40 -","4","1","","Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki","Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene.","Physical chemistry chemical physics : PCCP","2023","25","16","11839","11844","10.1039/d3cp00334e","","","0.71075","MoKα","","0.0835","0.0646","","","0.1318","0.1435","","","","","","1.068","","","","has coordinates","283500","2023-05-05","03:33:08",""
"7246642","8.3713","0.0003","14.0145","0.0004","31.3792","0.0009","90","","90","","90","","3681.4","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 Br2 Cl2 N6 O4 -","- C40 H30 Br2 Cl2 N6 O4 -","- C160 H120 Br8 Cl8 N24 O16 -","4","1","","Mahmood, Khalid; Akhter, Zareen; Perveen, Fouzia; Aisha,; Bibi, Muneeba; Ismail, Hammad; Tabassum, Nida; Yousuf, Sammer; Ashraf, Ahmad Raza; Qayyum, Muhammad Abdul","Synthesis, DNA binding and biological evaluation of benzimidazole Schiff base ligands and their metal(ii) complexes","RSC Advances","2023","13","18","11982","11999","10.1039/D3RA00982C","","","1.54178","CuKα","","0.0567","0.043","","","0.084","0.0887","","","","","","1.019","","","","has coordinates","282687","2023-04-18","01:19:54",""
"7246643","10.519","0.002","14.285","0.002","5.349","0.002","90","","90","","90","","803.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 I O S -","- C7 H5 I O S -","- C28 H20 I4 O4 S4 -","4","1","","Kato, Shinzi; Kimura, Masahiro; Komatsu, Yukio; Miyagawa, Kenji; Ishida, Masaru; Ebihara, Masahiro; Niyomura, Osamu; Nakanishi, Waro; Hayashi, Satoko","Synthesis, structures and reactions of acylsulfenyl iodides with theoretical investigations","RSC Advances","2023","13","18","12035","12049","10.1039/D3RA00646H","","","0.7107","MoKα","","0.0283","0.0254","","","0.069","0.0702","","","","","","1.174","","","","has coordinates","282688","2023-04-18","01:20:39",""
"7246644","6.4075","0.0001","22.1588","0.0004","13.6261","0.0003","90","","99.777","0.001","90","","1906.57","0.06","213","","213","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Lv, Shuaipeng; Li, Qiannan; Sang, Ji-Wei; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong","Uranyl nitrate as a recyclable homogeneous photocatalyst for selective cross-coupling of N-substituted amines and indoles","RSC Advances","2023","13","18","11929","11937","10.1039/D3RA01037F","","","1.34139","GaKα","","0.0507","0.0426","","","0.1058","0.1134","","","","","","1.066","","","","has coordinates","282689","2023-04-18","01:21:18",""
"7246645","14.6228","0.0003","12.8248","0.0003","20.8582","0.0005","90","","90","","90","","3911.63","0.15","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","1","","Lv, Shuaipeng; Li, Qiannan; Sang, Ji-Wei; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong","Uranyl nitrate as a recyclable homogeneous photocatalyst for selective cross-coupling of N-substituted amines and indoles","RSC Advances","2023","13","18","11929","11937","10.1039/D3RA01037F","","","1.54178","cukα","","0.0833","0.0554","","","0.1294","0.1499","","","","","","1.015","","","","has coordinates","282689","2023-04-18","01:21:19",""
"7246646","14.107","0.008","7.457","0.005","17.652","0.012","90","","107.15","0.03","90","","1774","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C64 H84 N20 O24 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0496","0.04","","","0.099","0.1053","","","","","","1.049","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246647","11.237","0.006","13.848","0.008","15.127","0.009","67.99","0.02","87.32","0.02","66.84","0.03","1992","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0585","0.0436","","","0.1005","0.1083","","","","","","1.053","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246648","14.095","0.008","7.424","0.003","39.15","0.02","90","","91.267","0.013","90","","4096","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0829","0.0475","","","0.1056","0.1231","","","","","","1.012","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246649","11.005","0.004","12.739","0.004","11.783","0.004","90","","107.323","0.012","90","","1577","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Famciclovir anhydrate","","- C14 H19 N5 O4 -","- C14 H19 N5 O4 -","- C56 H76 N20 O16 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0576","0.0454","","","0.1071","0.1141","","","","","","1.024","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246650","14.056","0.004","7.578","0.003","17.799","0.007","90","","106.96","0.01","90","","1813.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C32 H42 N10 O12 -","- C32 H42 N10 O12 -","- C64 H84 N20 O24 -","2","0.5","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.091","0.0524","","","0.1201","0.1466","","","","","","1.05","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246651","14.012","0.01","7.541","0.006","39.34","0.03","90","","91.659","0.01","90","","4155","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.1589","0.0614","","","0.1484","0.2009","","","","","","0.999","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246652","11.439","0.003","13.954","0.003","15.137","0.003","67.808","0.005","86.239","0.004","68.249","0.005","2070.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0876","0.0526","","","0.1359","0.1669","","","","","","1.019","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246653","9.4819","0.0009","10.0041","0.0008","17.2683","0.0016","83.82","0.004","75.769","0.005","84.708","0.004","1574.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir monohydrate","","- C14 H21 N5 O5 -","- C14 H21 N5 O5 -","- C56 H84 N20 O20 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0936","0.0542","","","0.1063","0.1211","","","","","","1.039","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246654","15.3463","0.0006","6.7602","0.0002","8.0457","0.0003","90","","115.305","0.001","90","","754.6","0.05","296","","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 Gd2 Na O8 S2 -","- F3 Gd2 Na O8 S2 -","- F12 Gd8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0145","0.0134","","","0.0291","0.0294","","","","","","1.107","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246655","15.788","0.001","6.9859","0.0004","8.3004","0.0005","90","","115.725","0.002","90","","824.74","0.09","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 La2 Na O8 S2 -","- F3 La2 Na O8 S2 -","- F12 La8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0133","0.0131","","","0.033","0.0331","","","","","","1.089","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246656","5.085","0.001","11.293","0.002","11.036","0.002","90","","92.76","0.03","90","","633","0.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cu N2 O6 -","- C11 H14 Cu N2 O6 -","- C22 H28 Cu2 N4 O12 -","2","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Highly enhanced electrocatalytic OER activity of water-coordinated copper complexes: effect of lattice water and bridging ligand","RSC Advances","2023","13","18","12065","12071","10.1039/D3RA01186K","","","0.63","synchrotron","","0.069","0.0627","","","0.1704","0.1746","","","","","","1.064","","","","has coordinates","282718","2023-04-19","02:07:05",""
"7246657","10.8674","0.0007","13.4431","0.0008","17.3938","0.0011","87.805","0.002","78.109","0.001","73.839","0.001","2387.8","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C24 H44 Cr2 Cu8 Mo12 N28 O64 -","2","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0984","0.0516","","","0.0874","0.0997","","","","","","1.015","","","","has coordinates","284260","2023-06-05","04:23:46",""
"7246658","10.6104","0.0019","15.5334","0.0019","14.834","0.002","90","","101.287","0.003","90","","2397.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cu2 Mo4 N7 O17 -","- C6 H9 Cu2 Mo4 N7 O17 -","- C24 H36 Cu8 Mo16 N28 O68 -","4","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0637","0.0399","","","0.0778","0.086","","","","","","1.013","","","","has coordinates","284260","2023-06-05","04:23:47",""
"7246659","17.1352","0.0004","7.89497","0.00016","14.2824","0.0004","90","","110.302","0.003","90","","1812.12","0.08","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C20 H14 F5 N O3 -","- C20 H14 F5 N O3 -","- C80 H56 F20 N4 O12 -","4","1","","Huang, Panyi; Yan, Zhiyang; Ling, Jiaxin; Li, Peixuan; Wang, Jiayang; Li, Jianjun; Sun, Bin; Jin, Can","Catalyst-free intramolecular radical cyclization cascades initiated by the direct homolysis of Csp3–Br under visible light","Green Chemistry","2023","25","10","3989","3994","10.1039/D3GC00304C","","x-ray","1.54184","CuKα","","0.0739","0.0662","","","0.1892","0.1987","","","","","","1.027","","","","has coordinates,has disorder","284280","2023-06-05","04:36:02",""
"7246660","6.4643","0.0002","21.3155","0.0007","11.9798","0.0004","90","","91.899","0.003","90","","1649.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C64 H100 B4 O16 -","4","2","","Huninik, Paweł; Szyling, Jakub; Czapik, Agnieszka; Walkowiak, Jędrzej","Organocatalytic hydroboration of olefins in pyrrolidinium ionic liquids","Green Chemistry","2023","25","9","3715","3722","10.1039/D2GC04163D","","","1.54184","CuKα","","0.0696","0.0686","","","0.1812","0.1823","","","","","","1.07","","","","has coordinates","284282","2023-06-05","04:36:21",""
"7246661","13.1168","0.0009","14.3578","0.0011","11.4115","0.0008","90","","114.778","0.002","90","","1951.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N6 O7 Zn -","- C18 H18 N6 O7 Zn -","- C72 H72 N24 O28 Zn4 -","4","1","","Ke, Hao-Wei; Sung, Kuangsen","7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence?","Physical chemistry chemical physics : PCCP","2023","25","20","14627","14634","10.1039/d3cp00467h","","","0.71073","MoKα","","0.0352","0.031","","","0.0743","0.0767","","","","","","1.024","","","","has coordinates","284340","2023-06-05","05:00:37",""
"7246662","29.3977","0.0007","12.9915","0.0003","8.0412","0.0002","90","","94.861","0.001","90","","3060.05","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C144 H144 N32 O8 -","8","2","","Ke, Hao-Wei; Sung, Kuangsen","7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence?","Physical chemistry chemical physics : PCCP","2023","25","20","14627","14634","10.1039/d3cp00467h","","","0.71073","MoKα","","0.0596","0.0434","","","0.096","0.1027","","","","","","1.018","","","","has coordinates","284340","2023-06-05","05:00:51",""
"7246663","6.4063","0.0004","14.273","0.0009","13.2376","0.001","90","","90.298","0.003","90","","1210.39","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl4 Fe N2 -","- C6 H9 Cl4 Fe N2 -","- C24 H36 Cl16 Fe4 N8 -","4","1","","Ghoudi, A.; Ben Brahim, Kh.; Ghalla, H.; Lhoste, J.; Auguste, S.; Khirouni, K.; Aydi, A.; Oueslati, A.","Crystal structure and optical characterization of a new hybrid compound, C6H9N2FeCl4, with large dielectric constants for field-effect transistors","RSC Advances","2023","13","19","12844","12862","10.1039/D3RA01239E","","","0.71073","MoKα","","0.0634","0.032","","","0.0842","0.1032","","","","","","1.032","","","","has coordinates","282844","2023-04-26","01:11:23",""
"7246664","7.0683","0.0015","8.6879","0.0017","9.462","0.002","111.186","0.008","108.771","0.008","97.407","0.008","492.78","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H4 N2 O S4 -","- C7 H4 N2 O S4 -","- C14 H8 N4 O2 S8 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0287","0.0274","","","0.0766","0.0787","","","","","","1.029","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246665","14.498","0.0013","7.5276","0.0009","16.6742","0.0017","90","","111.731","0.005","90","","1690.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C48 H40 N8 S32 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.06","0.0374","","","0.0894","0.1013","","","","","","1.049","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246666","9.19","0.0018","10.0186","0.0017","8.6765","0.0017","90","","98.049","0.007","90","","791","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N O S4 -","- C5 H3 N O S4 -","- C20 H12 N4 O4 S16 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0455","0.0385","","","0.0981","0.1036","","","","","","1.167","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246667","19.606","0.004","3.8452","0.0007","20.687","0.004","90","","91.669","0.009","90","","1558.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 N2 O S4 -","- C5 N2 O S4 -","- C40 N16 O8 S32 -","8","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0738","0.0571","","","0.1197","0.1257","","","","","","1.09","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246668","6.0133","0.0003","10.3719","0.0007","14.1989","0.0009","84.691","0.002","79.633","0.002","85.606","0.002","865.76","0.09","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C24 H20 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0807","0.0839","","","","","","1.062","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246669","7.1063","0.0015","12.405","0.003","13.462","0.004","100.797","0.012","91.933","0.013","92.39","0.009","1163.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H7 F4 N5 S7 -","- C21 H7 F4 N5 S7 -","- C42 H14 F8 N10 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0589","0.0436","","","0.0899","0.0964","","","","","","1.009","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246670","7.906","0.002","8.704","0.003","11.633","0.003","100.13","0.01","101.742","0.01","113.22","0.01","690.5","0.4","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H7 N S7 -","- C9 H7 N S7 -","- C18 H14 N2 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0319","0.0274","","","0.0687","0.0727","","","","","","1.042","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246671","7.4506","0.0012","8.1175","0.0012","13.345","0.002","73.335","0.005","87.672","0.006","81.049","0.006","763.8","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H6 N2 S8 -","- C10 H6 N2 S8 -","- C20 H12 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0291","0.0274","","","0.0785","0.0806","","","","","","1.039","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246672","7.2339","0.001","10.7451","0.0015","13.7344","0.0019","77.886","0.005","87.003","0.005","72.421","0.005","995","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","1","0.5","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0469","0.0382","","","0.0895","0.094","","","","","","1.081","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246673","11.1792","0.0003","6.3833","0.0001","7.9535","0.0002","90","","104.23","0.003","90","","550.15","0.02","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N S2 -","- C3 H4 Ag N S2 -","- C12 H16 Ag4 N4 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.4156","synchrotron","","0.0495","0.0487","","","0.1439","0.1451","","","","","","1.101","","","","has coordinates","284255","2023-06-05","04:21:38",""
"7246674","12.4028","0.0003","10.0914","0.0003","7.3468","0.0002","90","","91.801","0.002","90","","919.08","0.04","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Ag2 F3 N O2 S2 -","- C5 H4 Ag2 F3 N O2 S2 -","- C20 H16 Ag8 F12 N4 O8 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.71073","MoKα","","0.0463","0.0357","","","0.0866","0.0918","","","","","","1.031","","","","has coordinates","284255","2023-06-05","04:21:47",""
"7246675","6.811","0.0004","9.5833","0.0006","10.5124","0.0007","90","","105.512","0.007","90","","661.17","0.08","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","282874","2023-04-27","01:17:14",""
"7246676","6.8217","0.0005","9.5882","0.0006","10.5206","0.0008","90","","105.445","0.008","90","","663.28","0.09","373","0.1","373","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","x-ray","0.71073","MoKα","","0.0475","0.0431","","","0.104","0.1066","","","","","","1.045","","","","has coordinates","282875","2023-04-27","01:17:36",""
"7246677","6.8176","0.0005","9.5857","0.0006","10.5127","0.0008","90","","105.512","0.008","90","","662","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","282876","2023-04-27","01:17:53",""
"7246678","6.8195","0.0005","9.5837","0.0006","10.5199","0.0008","90","","105.504","0.008","90","","662.52","0.09","348","0.1","348","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","x-ray","0.71073","MoKα","","0.0505","0.0461","","","0.1125","0.1152","","","","","","1.04","","","","has coordinates","282877","2023-04-27","01:18:09",""
"7246679","9.521","0.0011","12.027","0.003","12.459","0.002","63.128","0.014","82.674","0.012","72.395","0.015","1212.9","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H37.89 Cl0.11 N6 O8 S2 -","- C58 H37.888 Cl0.112 N6 O8 S2 -","- C58 H37.888 Cl0.112 N6 O8 S2 -","1","0.5","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.0361","0.0358","","","0.0904","0.0906","","","","","","1.056","","","","has coordinates,has disorder","286151","2023-09-05","19:59:00",""
"7246680","9.279","0.003","11.406","0.002","13.046","0.005","80.4","0.02","80.8","0.03","69.338","0.016","1266.2","0.7","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23.91 Cl0.09 N2 O2 S -","- C31 H23.915 Cl0.085 N2 O2 S -","- C62 H47.83 Cl0.17 N4 O4 S2 -","2","1","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.046","0.0395","","","0.104","0.1069","","","","","","1.05","","","","has coordinates,has disorder","286151","2023-09-05","19:59:00",""
"7246681","9.907","0.0013","11.5183","0.0016","11.8511","0.001","108.421","0.01","104.16","0.009","99.584","0.012","1199.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C60 H44 N4 O4 S2 -","2","1","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.0412","0.0355","","","0.095","0.0983","","","","","","1.053","","","","has coordinates","286151","2023-09-05","19:59:00",""
"7246682","11.803","0.003","12.782","0.002","17.329","0.002","89.118","0.01","81.911","0.012","71.924","0.015","2459.5","0.8","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H43.54 Cl0.56 N4 O6 S2 -","- C60 H43.54 Cl0.56 N4 O6 S2 -","- C120 H87.08 Cl1.12 N8 O12 S4 -","2","1","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.0587","0.0427","","","0.0997","0.1071","","","","","","1.031","","","","has coordinates,has disorder","286151","2023-09-05","19:59:00",""
"7246683","11.6265","0.0004","11.6941","0.0006","12.1146","0.0006","73.313","0.002","77.928","0.001","80.047","0.001","1531.64","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H32 F6 N6 O10 -","- C24 H32 F6 N6 O10 -","- C48 H64 F12 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0658","0.0437","","","0.1215","0.1448","","","","","","1.011","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246684","14.0576","0.0005","11.0469","0.0003","15.0431","0.0006","90","","111.343","0.002","90","","2175.87","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-fluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H30 F N3 O8 -","- C18 H30 F N3 O8 -","- C72 H120 F4 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0472","0.0346","","","0.08","0.0874","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246685","11.4494","0.0006","11.7343","0.0006","12.2027","0.0006","73.603","0.002","77.788","0.002","79.85","0.002","1525.26","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H34 F4 N6 O10 -","- C24 H34 F4 N6 O10 -","- C48 H68 F8 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0674","0.0411","","","0.1127","0.1347","","","","","","0.97","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246686","7.9046","0.0008","9.2505","0.0008","15.7606","0.0016","79.769","0.003","84.623","0.003","78.313","0.004","1108.61","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H29 F2 N3 O8 -","- C18 H29 F2 N3 O8 -","- C36 H58 F4 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.082","0.0636","","","0.1754","0.1991","","","","","","1.027","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246687","7.1452","0.0004","13.566","0.0008","7.7555","0.0005","90","","90","","90","","751.75","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine","","- C6 H4 F3 N3 O2 -","- C6 H4 F3 N3 O2 -","- C24 H16 F12 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0421","0.033","","","0.096","0.1053","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246688","4.5277","0.0002","11.3347","0.0006","13.835","0.0007","90","","93.899","0.0017","90","","708.37","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-fluoro-6-nitrobenzene-1,3-diamine","","- C6 H6 F N3 O2 -","- C6 H6 F N3 O2 -","- C24 H24 F4 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.048","0.0411","","","0.1123","0.1229","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246689","8.0036","0.0007","9.2934","0.0007","15.7077","0.0012","80.801","0.004","81.339","0.004","78.77","0.004","1122.6","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H28 F3 N3 O8 -","- C18 H28 F3 N3 O8 -","- C36 H56 F6 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.1134","0.0944","","","0.3077","0.3318","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246690","7.6215","0.0004","3.675","0.0002","13.2829","0.0007","90","","104.936","0.002","90","","359.47","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2,4-difluoro-6-nitrobenzene-1,3-diamine","","- C6 H5 F2 N3 O2 -","- C6 H5 F2 N3 O2 -","- C12 H10 F4 N6 O4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0282","0.0257","","","0.0765","0.0792","","","","","","1.035","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246691","13.7751","0.001","11.1808","0.0006","14.7876","0.0011","90","","109.477","0.003","90","","2147.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-diaminenitrobenzene 18-crown-6 1:1 cocrystal","","- C18 H31 N3 O8 -","- C18 H31 N3 O8 -","- C72 H124 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0458","0.0403","","","0.1076","0.115","","","","","","0.986","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246692","19.017","0.004","10.115","0.002","13.08","0.003","90","","97.672","0.008","90","","2493.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","0.71073","MoKα","","0.0404","0.0328","","","0.1134","0.1293","","","","","","1.017","","","","has coordinates","284270","2023-06-05","04:27:06",""
"7246693","18.5204","0.0011","18.0376","0.001","12.4569","0.0007","90","","125.092","0.002","90","","3405","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","1.34139","GaKα","","0.0733","0.0698","","","0.2575","0.2611","","","","","","1.385","","","","has coordinates","284270","2023-06-05","04:27:09",""
"7246694","8.146","0.003","10.585","0.005","12.953","0.006","107.404","0.014","99.533","0.012","106.007","0.013","986.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N6 O8 V2 -","- C40 H48 N6 O8 V2 -","- C40 H48 N6 O8 V2 -","1","0.5","","Das, Jayanta; Ta, Sabyasachi; Salam, Noor; Das, Sudipta; Ghosh, Subhasis; Das, Debasis","Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis","RSC Advances","2023","13","19","13195","13205","10.1039/D3RA00702B","","","0.71073","MoKα","","0.1029","0.0636","","","0.1715","0.1924","","","","","","1.046","","","","has coordinates","282916","2023-04-29","01:08:25",""
"7246695","9.8512","0.0006","11.5664","0.0008","15.7394","0.001","94.283","0.005","99.404","0.004","102.695","0.004","1714.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Das, Jayanta; Ta, Sabyasachi; Salam, Noor; Das, Sudipta; Ghosh, Subhasis; Das, Debasis","Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis","RSC Advances","2023","13","19","13195","13205","10.1039/D3RA00702B","","","0.71073","MoKα","","0.0977","0.0525","","","0.1113","0.1337","","","","","","1.042","","","","has coordinates,has disorder","282916","2023-04-29","01:08:29",""
"7246696","5.8707","0.0019","11.414","0.004","12.565","0.004","86.627","0.011","77.937","0.01","87.756","0.011","821.6","0.5","","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cu N3 O2 -","- C19 H21 Cu N3 O2 -","- C38 H42 Cu2 N6 O4 -","2","1","","Das, Jayanta; Ta, Sabyasachi; Salam, Noor; Das, Sudipta; Ghosh, Subhasis; Das, Debasis","Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis","RSC Advances","2023","13","19","13195","13205","10.1039/D3RA00702B","","","0.71073","MoKα","","0.0992","0.0775","","","0.1988","0.2281","","","","","","1.0406","","","","has coordinates","282916","2023-04-29","01:09:16",""
"7246697","6.9044","0.0006","6.9108","0.0005","13.8175","0.0011","91.301","0.003","100.548","0.003","103.119","0.003","629.82","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl N3 O2 -","- C14 H10 Cl N3 O2 -","- C28 H20 Cl2 N6 O4 -","2","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","0.71073","MoKα","","0.0433","0.0337","","","0.0836","0.0891","","","","","","1.031","","","","has coordinates","282918","2023-04-29","01:11:10",""
"7246698","8.7768","0.0009","8.9125","0.0009","15.8094","0.0016","90","","90","","90","","1236.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0762","","","","","","1.069","","","","has coordinates","282918","2023-04-29","01:11:15",""
"7246699","9.9716","0.0003","13.6586","0.0004","11.3692","0.0003","90","","93.54","0.001","90","","1545.51","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","1.54178","CuKα","","0.0572","0.0455","","","0.1049","0.1171","","","","","","1.06","","","","has coordinates","282918","2023-04-29","01:11:15",""
"7246700","10.079","0.0008","7.1417","0.0005","17.9545","0.0013","90","","91.403","0.003","90","","1292","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F N3 O2 -","- C14 H10 F N3 O2 -","- C56 H40 F4 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","0.71073","MoKα","","0.0534","0.0398","","","0.1019","0.109","","","","","","1.041","","","","has coordinates","282918","2023-04-29","01:11:16",""
"7246701","10.8682","0.0002","32.7516","0.0008","13.6339","0.0002","90","","98.507","0.001","90","","4799.61","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cu F6 N2 O P3 -","- C54 H44 Cu F6 N2 O P3 -","- C216 H176 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1035","0.0871","","","0.1739","0.19","","","","","","1.128","","","","has coordinates,has disorder","284257","2023-06-05","04:23:00",""
"7246702","10.8302","0.0004","11.9965","0.0004","17.2894","0.0006","98.862","0.003","95.289","0.003","102.775","0.003","2145.9","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.115","0.0885","","","0.1749","0.1998","","","","","","0.95","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246703","10.9817","0.0008","15.119","0.0008","18.478","0.0012","112.459","0.003","93.961","0.003","108.337","0.005","2627.9","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H47 Cl3 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C106 H88 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1179","0.0889","","","0.1724","0.1935","","","","","","0.995","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246704","17.0919","0.0003","14.2952","0.0003","20.6426","0.0003","90","","103.521","0.001","90","","4903.86","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Cu F6 N2 O P3 -","- C57 H48 Cu F6 N2 O P3 -","- C228 H192 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.0936","0.0829","","","0.1745","0.1846","","","","","","1.013","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246705","6.6336","0.0001","8.8279","0.0001","10.2569","0.0002","90","","90.9385","0.0012","90","","600.571","0.016","293","","296.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Na3 O6 Pr -","- B2 Na3 O6 Pr -","- B8 Na12 O24 Pr4 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0196","0.0182","","","0.0257","0.0261","","","","1.7","1.7","1.68","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246706","6.5247","0.0001","8.7309","0.0001","10.1447","0.0001","90","","90.8656","0.0011","90","","577.842","0.012","293","","294.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Gd Na3 O6 -","- B2 Gd Na3 O6 -","- B8 Gd4 Na12 O24 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0169","0.0156","","","0.0217","0.0223","","","","1.45","1.45","1.44","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246707","4.3315","0.0004","18.5293","0.0017","21.324","0.002","90","","93.751","0.004","90","","1707.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C88 H60 Br4 N8 O4 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Stress and light sensitive dual-mechanical property of acylhydrazone crystal","CrystEngComm","2023","25","21","3237","3244","10.1039/D3CE00296A","","","0.71073","MoKα","","0.0624","0.0425","","","0.1017","0.1149","","","","","","1.038","","","","has coordinates","284272","2023-06-05","04:28:09",""
"7246708","14.2948","0.0008","8.5708","0.0004","15.3612","0.0008","90","","95.345","0.005","90","","1873.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N2 O3 S -","- C21 H18 N2 O3 S -","- C84 H72 N8 O12 S4 -","4","1","","Zhong, Qiang; Wang, Pei-Long; Gao, Hui; Ma, Fang; Yang, Youqing; Li, Hongji","Electrochemical intramolecular N(sp2)–H/N(sp3)–H coupling for the synthesis of 1H-indazoles","Green Chemistry","2023","25","10","3982","3988","10.1039/D3GC00380A","","","0.71073","MoKα","","0.0838","0.0517","","","0.1545","0.1746","","","","","","1.026","","","","has coordinates","284278","2023-06-05","04:35:43",""
"7246709","11.349","0.008","10.096","0.007","15.893","0.011","90","0.03","97.84","0.04","90","0.03","1804","2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","","Zhong, Qiang; Wang, Pei-Long; Gao, Hui; Ma, Fang; Yang, Youqing; Li, Hongji","Electrochemical intramolecular N(sp2)–H/N(sp3)–H coupling for the synthesis of 1H-indazoles","Green Chemistry","2023","25","10","3982","3988","10.1039/D3GC00380A","","","0.71073","MoKα","","0.0501","0.0418","","","0.1142","0.1207","","","","","","1.025","","","","has coordinates","284278","2023-06-05","04:35:46",""
"7246710","7.7814","0.0012","10.0144","0.0012","15.979","0.002","87.193","0.007","77.808","0.007","69.864","0.007","1142.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0686","0.0593","","","0.1876","0.1971","","","","","","1.043","","","","has coordinates","284271","2023-06-05","04:27:45",""
"7246711","7.2548","0.0005","9.0844","0.0006","9.5457","0.0005","99.864","0.003","99.082","0.003","107.888","0.003","574.8","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N O3 -","- C12 H14 N O3 -","- C24 H28 N2 O6 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0465","0.0443","","","0.1235","0.1264","","","","","","1.065","","","","has coordinates","284271","2023-06-05","04:27:55",""
"7246712","9.931","0.0007","10.0681","0.0006","12.1027","0.0008","90","","99.78","0.004","90","","1192.52","0.14","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C48 H56 N4 O14 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0472","0.0404","","","0.1043","0.1108","","","","","","1.04","","","","has coordinates","284271","2023-06-05","04:27:57",""
"7246713","10.2189","0.0006","13.8655","0.001","16.3778","0.001","90","","93.473","0.003","90","","2316.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0447","0.0395","","","0.1139","0.1208","","","","","","1.064","","","","has coordinates","284271","2023-06-05","04:28:01",""
"7246714","21.6511","0.0017","6.9602","0.0006","5.9635","0.0005","90","","90","","90","","898.68","0.13","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine chloride","","- C6 H12 Cl0.95 I1.05 N2 -","- C6 H12 Cl0.9528 I1.0472 N2 -","- C24 H48 Cl3.8112 I4.1888 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.049","0.0291","","","0.0563","0.0608","","","","","","1.046","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246715","21.6028","0.0009","7.1603","0.0003","5.9684","0.0002","90","","90","","90","","923.21","0.06","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine bromide","","- C6 H12 Br0.96 I0.98 N2 -","- C6 H12 Br0.957 I0.983 N2 -","- C24 H48 Br3.828 I3.932 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.0157","0.0141","","","0.0284","0.0287","","","","","","1.105","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246716","29.742","0.003","4.0442","0.0004","21.075","0.002","90","","114.857","0.003","90","","2300.1","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenazine iodine bromide","","- C12 H8 Br I N2 -","- C12 H8 Br I N2 -","- C96 H64 Br8 I8 N16 -","8","1","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.061","0.0403","","","0.0788","0.0864","","","","","","1.037","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246717","18.0503","0.0011","10.1185","0.0006","14.6269","0.0008","90","","106.83","0.002","90","","2557.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 I8 N2 Te -","- C10 H12 I8 N2 Te -","- C40 H48 I32 N8 Te4 -","4","0.5","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.0547","0.06","","","","","","1.086","","","","has coordinates","282977","2023-05-04","01:18:50",""
"7246718","9.4074","0.0003","11.5528","0.0004","13.8021","0.0004","81.711","0.001","79.847","0.001","69.01","0.001","1373.2","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 I10 N4 Te -","- C8 H10 I10 N4 Te -","- C16 H20 I20 N8 Te2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0221","0.02","","","0.0401","0.0405","","","","","","1.327","","","","has coordinates","282977","2023-05-04","01:19:03",""
"7246719","7.0961","0.0003","7.8772","0.0003","11.4958","0.0005","95.461","0.002","99.379","0.002","107.782","0.002","596.48","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H7 Cl I3 N O -","- C5 H7 Cl I3 N O -","- C10 H14 Cl2 I6 N2 O2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0479","0.0264","","","0.0512","0.0582","","","","","","1.025","","","","has coordinates","282977","2023-05-04","01:19:06",""
"7246720","22.6882","0.0007","7.0484","0.0002","15.6003","0.0005","90","","101.865","0.001","90","","2441.43","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 Br I3 N O -","- C5 H7 Br I3 N O -","- C40 H56 Br8 I24 N8 O8 -","8","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0345","0.0223","","","0.037","0.0399","","","","","","1.014","","","","has coordinates","282977","2023-05-04","01:19:08",""
"7246721","22.8618","0.0008","7.1336","0.0002","15.7192","0.0006","90","","103.22","0.001","90","","2495.66","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 I4 N O -","- C5 H7 I4 N O -","- C40 H56 I32 N8 O8 -","8","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0213","0.0167","","","0.0351","0.0367","","","","","","1.074","","","","has coordinates","282977","2023-05-04","01:19:11",""
"7246722","8.9408","0.0003","9.9568","0.0004","19.7612","0.0008","103.006","0.001","96.657","0.001","90.281","0.001","1701.62","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl3 I9 N3 Te -","- C15 H15 Cl3 I9 N3 Te -","- C30 H30 Cl6 I18 N6 Te2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0543","0.034","","","0.0485","0.0525","","","","","","1.06","","","","has coordinates","282977","2023-05-04","01:19:15",""
"7246723","12.1949","0.0006","14.1651","0.0007","14.3164","0.0007","90","","110.829","0.002","90","","2311.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 I6 N2 Te -","- C10 H10 Br2 I6 N2 Te -","- C40 H40 Br8 I24 N8 Te4 -","4","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0329","0.0208","","","0.0331","0.0362","","","","","","1.063","","","","has coordinates","282977","2023-05-04","01:19:17",""
"7246724","19.0162","0.0014","10.6017","0.0008","14.2508","0.0011","90","","111.154","0.003","90","","2679.4","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H10 Cl2 I8 N2 Te -","- C10 H10 Cl2 I8 N2 Te -","- C40 H40 Cl8 I32 N8 Te4 -","4","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0434","0.0348","","","0.0507","0.0528","","","","","","1.036","","","","has coordinates","282977","2023-05-04","01:19:20",""
"7246725","7.7588","0.0004","11.8319","0.0004","14.2751","0.0008","86.842","0.002","80.992","0.002","78.38","0.001","1267.41","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 I8 N2 O Te -","- C10 H12 I8 N2 O Te -","- C20 H24 I16 N4 O2 Te2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0268","0.0203","","","0.037","0.0387","","","","","","1.056","","","","has coordinates","282977","2023-05-04","01:19:22",""
"7246726","15.0194","0.001","15.0194","0.001","33.038","0.003","90","","90","","120","","6454.3","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C30 H30 I30 N6 Te3 -","- C30 H30 I30 N6 Te3 -","- C90 H90 I90 N18 Te9 -","3","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","","0.71073","MoKα","","0.03","0.0242","","","0.0433","0.0448","","","","","","1.035","","","","has coordinates,has disorder","282977","2023-05-04","01:19:22",""
"7246727","9.28689","0.00016","5.36668","0.00008","23.7254","0.0004","90","","93.097","0.0008","90","","1180.74","0.03","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C54 H56 N4 O10 -","2","1","","Bhargavi, Dodda; Konduri, Srihari; Prashanth, Jyothi; Pulipati, Sowjanya; Praneeth, K. K.; Sireesha, Malladi; Rao, Koya Prabhakara","Synthesis and identification of new sacubitril derivatives as lead compounds for antibacterial, antifungal and antitubercular (TB) activities against dormant tuberculosis","RSC Advances","2023","13","20","13540","13546","10.1039/D3RA00713H","","","0.71073","MoKα","","0.0981","0.0541","","","0.1242","0.1486","","","","","","1.027","","","","has coordinates","282978","2023-05-04","01:20:52",""
"7246728","9.4952","0.0008","10.2127","0.001","10.9","0.0009","81.603","0.008","88.316","0.007","63.297","0.009","933.35","0.16","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 F10 Si -","- C18 H10 F10 Si -","- C36 H20 F20 Si2 -","2","1","","Alluhaibi, Lulu; Brisdon, Alan; Klejna, Sylwia; Muneer, Abeer","Synthesis and characterisation of new silicon–perfluoropropenyl compounds","RSC Advances","2023","13","20","13547","13555","10.1039/D3RA01353G","","x-ray","0.71073","MoKα","","0.0644","0.0483","","","0.0941","0.1003","","","","","","1.0478","","","","has coordinates","282979","2023-05-04","01:21:25",""
"7246729","3.9875","0.0002","15.785","0.001","13.2012","0.0009","90","","96.532","0.002","90","","825.53","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Br2 Cu N O S -","- C4 H5 Br2 Cu N O S -","- C16 H20 Br8 Cu4 N4 O4 S4 -","4","1","","Coetzee, Stefan; Turnbull, Mark M.; Landee, Christopher P.; Monroe, Jeffrey C.; Deumal, Mercè; Novoa, Juan J.; Rademeyer, Melanie","Satellite ligand effects on magnetic exchange in dimers. A structural, magnetic and theoretical investigation of Cu<sub>2</sub>L<sub>2</sub>X<sub>4</sub> (L = methylisothiazolinone and X = Cl<sup>-</sup>, Br<sup>-</sup>).","Physical chemistry chemical physics : PCCP","2023","25","13","9176","9187","10.1039/d2cp05629a","","","0.71073","MoKα","","0.0264","0.0237","","","0.0583","0.0593","","","","","","1.186","","","","has coordinates","282993","2023-05-04","18:56:17",""
"7246730","6.8819","0.0004","18.2382","0.001","8.3735","0.0005","90","","101.22","0.002","90","","1030.9","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C48 H50 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0401","0.0346","","","0.0796","0.0839","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:10",""
"7246731","19.673","0.007","7.589","0.002","27.281","0.007","90","","90","","90","","4073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O -","- C24 H24 F N3 O -","- C192 H192 F8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1827","0.0749","","","0.1566","0.2194","","","","","","1.034","","","","has coordinates","284914","2023-07-05","10:06:14",""
"7246732","21.3712","0.0007","10.6818","0.0003","19.0014","0.0006","90","","97.424","0.001","90","","4301.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N3 O -","- C24 H24 Br N3 O -","- C192 H192 Br8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0826","0.0503","","","0.1295","0.1504","","","","","","1.042","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246733","10.7226","0.0008","13.7126","0.0011","14.8083","0.0013","90","","93.229","0.003","90","","2173.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N3 O -","- C24 H24 Cl N3 O -","- C96 H96 Cl4 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0829","0.0486","","","0.1063","0.1262","","","","","","1.033","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246734","15.3952","0.001","31.5081","0.0017","9.8531","0.0006","90","","90","","90","","4779.5","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C200 H216 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1147","0.0641","","","0.1607","0.1887","","","","","","1.03","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246735","11.0228","0.0014","11.0661","0.0013","19.024","0.003","80.438","0.004","87.096","0.004","85.625","0.004","2279.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C104 H108 N12 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0693","0.0479","","","0.1174","0.1338","","","","","","1.05","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246736","9.4961","0.0003","16.3124","0.0005","17.0312","0.0006","75.852","0.001","84.434","0.001","78.983","0.001","2507.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F6 N3 O -","- C26 H23 F6 N3 O -","- C104 H92 F24 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0811","0.0499","","","0.1192","0.1418","","","","","","1.032","","","","has coordinates,has disorder","284914","2023-07-05","10:06:17",""
"7246737","10.8627","0.0003","10.9176","0.0003","10.9887","0.0004","80.548","0.001","87.969","0.001","61.512","0.001","1128.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C52 H58 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0733","0.0566","","","0.1564","0.1747","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246738","7.8031","0.0003","10.8097","0.0004","13.6803","0.0005","104.082","0.001","92.947","0.001","108.109","0.001","1053.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O -","- C25 H24 N4 O -","- C50 H48 N8 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0743","0.0577","","","0.154","0.1689","","","","","","1.061","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246739","10.73","0.0009","13.6341","0.001","14.815","0.0014","90","","90.254","0.003","90","","2167.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0792","0.0487","","","0.1011","0.1224","","","","","","1.071","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246740","10.468","0.004","5.3181","0.0019","12.162","0.005","90","","104.68","0.04","90","","655","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0903","0.0513","","","0.1209","0.1395","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:23",""
"7246741","11.8318","0.0007","5.8252","0.0003","13.9008","0.0008","90","","113.879","0.007","90","","876.07","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0659","0.0581","","","0.1563","0.162","","","","","","1.068","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246742","11.2568","0.0008","5.7371","0.0003","22.5561","0.0018","90","","103.029","0.008","90","","1419.2","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1258","0.0809","","","0.1781","0.199","","","","","","1.096","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246743","8.4198","0.0011","5.8428","0.0007","8.6049","0.0009","90","","91.92","0.011","90","","423.08","0.09","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0352","0.0325","","","0.0822","0.0834","","","","","","1.082","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246744","7.737","0.0014","10.7279","0.0012","11.583","0.002","63.137","0.016","86.083","0.015","84.134","0.013","852.9","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0438","0.0405","","","0.1019","0.1045","","","","","","1.048","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246745","10.1357","0.0007","17.1919","0.0016","9.1265","0.0007","90","","90","","90","","1590.3","0.2","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0779","0.0567","","","0.1433","0.1544","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246746","5.7579","0.0008","19.399","0.003","27.176","0.003","90","","90.64","0.012","90","","3035.3","0.7","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O12 -","- C30 H38 N2 O12 -","- C120 H152 N8 O48 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1125","0.0819","","","0.1907","0.2203","","","","","","1.099","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246747","7.0457","0.0014","8.2146","0.0009","13.342","0.003","106.407","0.014","90.268","0.016","106.101","0.014","708.8","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O5 -","- C13 H16 Cl N O5 -","- C26 H32 Cl2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0782","0.0577","","","0.1343","0.1441","","","","","","1.059","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246748","10.4273","0.0003","9.0611","0.0003","30.1865","0.001","90","","90","","90","","2852.11","0.16","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C112 H152 N8 O40 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0714","0.0531","","","0.135","0.1453","","","","","","1.038","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246749","9.4241","0.0007","37.399","0.002","10.4169","0.0011","90","","90.501","0.008","90","","3671.3","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C144 H216 N8 O32 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0994","0.0611","","","0.141","0.1631","","","","","","1.065","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246750","5.9135","0.0003","18.547","0.0009","31.3947","0.0016","90","","94.307","0.005","90","","3433.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 F2 N2 O6 -","- C38 H40 F2 N2 O6 -","- C152 H160 F8 N8 O24 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1154","0.0707","","","0.1271","0.1414","","","","","","1.143","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246751","11.8613","0.0014","5.7602","0.0007","13.2858","0.0014","90","","110.458","0.012","90","","850.48","0.18","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 F N2 O5 -","- C16 H21 F N2 O5 -","- C32 H42 F2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1045","0.0642","","","0.1171","0.1298","","","","","","1.077","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246752","9.8806","0.0018","9.6156","0.0019","25.364","0.006","90","","90","","90","","2409.8","0.9","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C80 H136 N8 O48 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1073","0.0819","","","0.1632","0.1773","","","","","","1.151","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246753","7.406","0.005","8.459","0.002","12.281","0.007","102.89","0.04","101.66","0.06","103.44","0.04","702.8","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C26 H32 F2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1647","0.0706","","","0.1209","0.1526","","","","","","1.002","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246754","7.0962","0.0013","8.306","0.002","12.12","0.003","103.74","0.02","99.82","0.018","105.63","0.02","646.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C26 H34 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0715","0.059","","","0.1638","0.174","","","","","","1.068","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246755","16.6605","0.0013","9.1572","0.0005","11.4407","0.0008","90","","109.81","0.008","90","","1642.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1053","0.0685","","","0.1778","0.1993","","","","","","1.062","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246756","12.591","0.002","8.7414","0.0012","12.6758","0.0014","90","","104.824","0.014","90","","1348.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C52 H64 F4 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.07","0.0526","","","0.119","0.1267","","","","","","1.131","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246757","15.3557","0.0007","24.0251","0.001","27.6817","0.0011","90","","90","","90","","10212.4","0.7","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","decaphenylbiphenyl","","- C72 H50 -","- C72 H50 -","- C576 H400 -","8","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.0986","0.0538","","","0.1202","0.1443","","","","","","1.029","","","","has coordinates","284339","2023-06-05","05:00:15",""
"7246758","11.0348","0.0005","11.8689","0.0005","23.7364","0.001","87.797","0.002","87.113","0.002","65.626","0.002","2827.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","decaphenylbiphenyl nitrobenzene solvate","","- C78 H55 N O2 -","- C78 H55 N O2 -","- C156 H110 N2 O4 -","2","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.0992","0.0672","","","0.1393","0.159","","","","","","1.056","","","","has coordinates,has disorder","284339","2023-06-05","05:00:16",""
"7246759","11.0605","0.0003","11.8611","0.0003","23.6616","0.0006","88.391","0.001","86.937","0.001","65.319","0.001","2816.5","0.13","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","decaphenylbiphenyl toluene solvate","","- C79 H58 -","- C79 H58 -","- C158 H116 -","2","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.086","0.0661","","","0.1358","0.1494","","","","","","1.101","","","","has coordinates,has disorder","284339","2023-06-05","05:00:16",""
"7246760","14.9441","0.0005","15.009","0.0005","24.0523","0.0008","93.926","0.001","104.887","0.001","91.282","0.001","5197","0.3","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","Decaphenylbiphenyl","","- C72 H50 -","- C72 H50 -","- C288 H200 -","4","2","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","0.71073","MoKα","","0.1027","0.051","","","0.1103","0.1323","","","","","","1.031","","","","has coordinates","284339","2023-06-05","05:00:16",""
"7246761","15.7967","0.0003","11.6889","0.0002","9.4813","0.0002","90","","97.276","0.002","90","","1736.59","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ï?1/2hiral trans(+)N,N'-bis-(salicylidene)-1,2-diaminocyclohexane Schif base","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Lakhani, Pratikkumar; Chodvadiya, Darshil; Jha, Prafulla K.; Gupta, Vivek Kumar; Trzybiński, Damian; Wozniak, Krzysztof; Kurzydłowski, Krzysztof; Goutam, U. K.; Srivastava, Himanshu; Modi, Chetan K.","DFT stimulation and experimental insights of chiral Cu(II)-salen scaffold within the pocket of MWW-zeolite and its catalytic study.","Physical chemistry chemical physics : PCCP","2023","25","20","14374","14386","10.1039/d3cp00857f","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0767","0.0773","","","","","","1.037","","","","has coordinates","284341","2023-06-05","05:00:58",""
"7246762","10.2581","0.0009","10.4004","0.0009","26.808","0.002","79.118","0.002","80.982","0.002","89.642","0.002","2773.1","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","4","","Nakanishi, W.; Matsushita, Y.; Takeuchi, M.; Sagisaka, K.","Dipole-moment-induced supramolecular assembly of a donor-acceptor-type molecule on a metal surface and in a crystal.","Physical chemistry chemical physics : PCCP","2023","25","19","13702","13707","10.1039/d2cp05982g","","","0.71073","MoKα","","0.1567","0.0652","","","0.1374","0.1865","","","","","","0.891","","","","has coordinates","284338","2023-06-05","04:59:55",""
"7246763","14.1256","0.0005","23.1528","0.0007","28.0634","0.0007","90","","90","","90","","9178.1","0.5","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70 H110 Co2 Mn4 N4 O22 -","- C70 H110 Co2 Mn4 N4 O22 -","- C280 H440 Co8 Mn16 N16 O88 -","4","0.5","","Yang, ZhiWei; Du, LongChao","Novel Mn4-Co2 nanocluster@photosensitizers/SalenCo(iii) catalyze the copolymerization of carbon dioxide and propylene oxide","RSC Advances","2023","13","20","13930","13939","10.1039/D3RA01742G","","x-ray","1.54186","CuKα","","0.0841","0.0599","","","0.1449","0.1618","","","","","","1.044","","","","has coordinates,has disorder","283671","2023-05-11","01:03:15",""
"7246764","6.5468","0.0007","16.2047","0.0016","27.749","0.003","90","","90","","90","","2943.9","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl O3 P -","- C31 H38 Cl O3 P -","- C124 H152 Cl4 O12 P4 -","4","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1602","0.074","","","0.1692","0.2052","","","","","","0.874","","","","has coordinates","283672","2023-05-11","01:04:20",""
"7246765","9.3136","0.0008","10.1805","0.0009","9.9531","0.0008","90","","111.262","0.004","90","","879.49","0.13","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 O P -","- C18 H27 O P -","- C36 H54 O2 P2 -","2","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1343","0.0873","","","0.1699","0.1846","","","","","","1.102","","","","has coordinates","283672","2023-05-11","01:04:22",""
"7246766","12.7102","0.0011","5.9519","0.0005","18.9788","0.0018","90","","99.214","0.002","90","","1417.2","0.2","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl O2 P -","- C27 H38 Cl O2 P -","- C54 H76 Cl2 O4 P2 -","2","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1743","0.1149","","","0.2925","0.3311","","","","","","0.989","","","","has coordinates","283672","2023-05-11","01:04:22",""
"7246767","8.5539","0.0004","11.9045","0.0005","14.8119","0.0007","95.587","0.001","101.681","0.001","107.046","0.001","1392.25","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu2 N6 O14 -","- C22 H28 Cu2 N6 O14 -","- C44 H56 Cu4 N12 O28 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0754","0.0512","","","0.1317","0.1456","","","","","","1.052","","","","has coordinates,has disorder","284919","2023-07-05","10:08:41",""
"7246768","9.2018","0.0007","10.6192","0.0006","12.7553","0.0009","90","","93.716","0.002","90","","1243.77","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu3 N6 O12 -","- C22 H22 Cu3 N6 O12 -","- C44 H44 Cu6 N12 O24 -","2","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0783","0.0427","","","0.0866","0.0984","","","","","","1.03","","","","has coordinates","284919","2023-07-05","10:08:44",""
"7246769","10.1143","0.001","11.1349","0.0011","14.8056","0.0016","107.017","0.004","109.383","0.004","93.002","0.003","1483.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","1","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0647","0.0517","","","0.1376","0.1476","","","","","","1.017","","","","has coordinates","284919","2023-07-05","10:08:47",""
"7246770","7.5089","0.001","10.85","0.0012","26.819","0.004","90","","90.841","0.004","90","","2184.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu2 N6 O8 -","- C22 H16 Cu2 N6 O8 -","- C88 H64 Cu8 N24 O32 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1705","0.0744","","","0.1278","0.1598","","","","","","1.029","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246771","13.8496","0.0003","12.6696","0.0003","17.0775","0.0003","90","","96.397","0.001","90","","2977.91","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N6 O16 -","- C22 H32 Cu2 N6 O16 -","- C88 H128 Cu8 N24 O64 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0486","0.0342","","","0.0792","0.0861","","","","","","1.024","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246772","10.5315","0.0003","15.0888","0.0005","21.2924","0.0007","74.155","0.001","86.294","0.001","81.889","0.001","3221.19","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H67 Cu4 N17 O17 -","- C55 H67 Cu4 N17 O17 -","- C110 H134 Cu8 N34 O34 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1004","0.0629","","","0.1136","0.1271","","","","","","1.066","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246773","7.7218","0.0002","8.491","0.0002","13.0382","0.0003","90","","90","","90","","854.86","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0225","0.0219","","","0.0549","0.0552","","","","","","1.054","","","","has coordinates","284979","2023-07-05","11:03:34",""
"7246774","6.105","0.0002","7.4158","0.0002","21.1354","0.0006","90","","90","","90","","956.87","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C28 H64 O28 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0208","0.0206","","","0.0547","0.0548","","","","","","1.099","","","","has coordinates","284979","2023-07-05","11:03:37",""
"7246775","5.2396","0.0004","11.2244","0.0007","14.6702","0.001","90","","90","","90","","862.77","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0258","0.0258","","","0.0676","0.0677","","","","","","1.126","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246776","5.2406","0.0002","11.2187","0.0004","14.6715","0.0006","90","","90","","90","","862.58","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.026","0.0258","","","0.068","0.0682","","","","","","1.11","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246777","7.3491","0.0002","7.3491","0.0002","34.1307","0.0012","90","","90","","90","","1843.37","0.1","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C14 H30 O13 -","- C14 H30 O13 -","- C56 H120 O52 -","4","0.5","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0215","0.0213","","","0.0577","0.0579","","","","","","1.099","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246778","7.3472","0.0002","7.3472","0.0002","34.1458","0.0012","90","","90","","90","","1843.24","0.1","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C7 H15 O6.5 -","- C7 H15 O6.5 -","- C56 H120 O52 -","8","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0255","0.0217","","","0.0583","0.0586","","","","","","1.092","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246779","9.262","0.0002","9.3748","0.0002","9.9796","0.0003","90","","90","","90","","866.52","0.04","127","2","127","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0213","0.0213","","","0.054","0.054","","","","","","1.147","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246780","6.1976","0.0008","12.1637","0.0013","12.652","0.0013","107.828","0.009","102.923","0.01","104.503","0.011","831.07","0.19","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 O4 P -","- C18 H19 O4 P -","- C36 H38 O8 P2 -","2","1","","Zhang, Yulong; Guo, Huichuang; Wu, Qian; Bi, Xiaojing; Shi, Enxue; Xiao, Junhua","Stereoselective synthesis of (E)-α,β-unsaturated esters: triethylamine-catalyzed allylic rearrangement of enol phosphates","RSC Advances","2023","13","20","13511","13515","10.1039/D3RA02430J","","x-ray","1.54184","CuKα","","0.106","0.0931","","","0.2526","0.2603","","","","","","1.113","","","","has coordinates","283709","2023-05-12","01:19:45",""
"7246781","12.1553","0.0005","8.8076","0.0003","22.304","0.0007","90","","94.608","0.003","90","","2380.13","0.15","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28.33 N4 O8.16 -","- C23 H28.326 N4 O8.163 -","- C92 H113.304 N16 O32.652 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.0532","0.0425","","","0.1034","0.1115","","","","","","1.023","","","","has coordinates,has disorder","284924","2023-07-05","10:12:30",""
"7246782","7.0878","0.0006","7.5969","0.0007","18.9464","0.0014","91.152","0.007","98.566","0.007","103.763","0.008","978.19","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N6 O7 -","- C19 H22 N6 O7 -","- C38 H44 N12 O14 -","2","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1172","0.0757","","","0.1892","0.2146","","","","","","1.055","","","","has coordinates","284924","2023-07-05","10:12:33",""
"7246783","7.0172","0.0003","28.2186","0.0013","10.7877","0.0005","90","","103.469","0.005","90","","2077.38","0.17","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C84 H96 N16 O28 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.1104","0.0659","","","0.1345","0.1671","","","","","","1.04","","","","has coordinates","284924","2023-07-05","10:12:35",""
"7246784","25.4626","0.0013","9.2831","0.0004","19.554","0.0011","90","","111.922","0.006","90","","4287.8","0.4","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TMP-26HBA","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C168 H192 N32 O56 -","8","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1035","0.0603","","","0.1291","0.1585","","","","","","1.059","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246785","11.2636","0.001","20.7045","0.0013","12.0759","0.0011","90","","117.535","0.011","90","","2497.2","0.4","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TMP-GA-2MeOH","","- C23 H32 N4 O10 -","- C23 H32 N4 O10 -","- C92 H128 N16 O40 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.0862","0.056","","","0.1255","0.1473","","","","","","1.054","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246786","12.2681","0.0013","34.536","0.004","9.8498","0.0013","90","","100.837","0.005","90","","4098.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide Form IV","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C144 H120 F36 N36 O48 -","12","3","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.2044","0.0732","","","0.1279","0.175","","","","","","1.031","","","","has coordinates,has disorder","284913","2023-07-05","10:05:32",""
"7246787","7.1966","0.0005","16.2038","0.0012","22.6209","0.0015","90","","94.633","0.002","90","","2629.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Nilutamide- Form V","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C96 H80 F24 N24 O32 -","8","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.1122","0.044","","","0.0851","0.107","","","","","","1.001","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246788","10.2797","0.001","11.1802","0.0011","13.2382","0.0013","86.915","0.003","73.762","0.003","68.854","0.003","1360.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nilutamide Hydrate (1:0.57)","","","- C12 H10.57 F3 N3 O4.29 -","- C12 H10.57 F3 N3 O4.285 -","- C48 H42.28 F12 N12 O17.14 -","4","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0667","0.0395","","","0.0902","0.1021","","","","","","1.023","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246789","7.3886","0.0005","12.2118","0.0008","20.8355","0.0013","90","","98.845","0.003","90","","1857.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide-Adenine cocrystal","","","- C17 H15 F3 N8 O4 -","- C17 H15 F3 N8 O4 -","- C68 H60 F12 N32 O16 -","4","1","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0751","0.0704","","","0.1671","0.1691","","","","","","1.167","","","","has coordinates,has disorder","284913","2023-07-05","10:05:33",""
"7246790","19.756","0.0004","19.756","0.0004","20.2456","0.0004","90","","90","","120","","6843.2","0.2","93","2","93","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","[Cu(PPh2Et)2bcp(PF6)]","","- C27 H23 Cu0.5 F3 N P1.5 -","- C27 H23 Cu0.5 F3 N P1.5 -","- C324 H276 Cu6 F36 N12 P18 -","12","1","","Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu","Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy.","Physical chemistry chemical physics : PCCP","2023","25","23","15873","15884","10.1039/d3cp01473h","","","1.54184","CuKα","","0.0409","0.0395","","","0.1003","0.1012","","","","","","1.105","","","","has coordinates","284978","2023-07-05","11:03:12",""
"7246791","10.428","0.006","30.79","0.016","11.823","0.006","90","","98.347","0.005","90","","3756","3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H62 Cl6 O8 -","- C72 H62 Cl6 O8 -","- C144 H124 Cl12 O16 -","2","0.5","","Tian, Yuan-Hong; Qin, Han; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei","Water soluble macrocyclic host for recognition of N-methylquinolinium salts in water","RSC Advances","2023","13","21","14539","14542","10.1039/D3RA02447D","","","0.71073","MoKα","","0.19","0.0896","","","0.2601","0.3254","","","","","","1.018","","","","has coordinates","283800","2023-05-16","01:17:24",""
"7246792","9.3901","0.0008","15.1733","0.0008","16.2514","0.0007","73.186","0.004","77.982","0.005","87.462","0.005","2167.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","2","","Pan, Feng; Li, Haohu; Wang, Xiaohua; Luo, Liwen; Lin, Yanfei; Yu, Qingkai; Xie, Wenlin; Zhang, Lianpeng","Synthesis of sulfur-containing benzo[b]pyrrolo[2,1-c][1,4]oxazine-3,9-diones: blue light promoted radical cyclization process","RSC Advances","2023","13","20","13911","13918","10.1039/D3RA02247A","","x-ray","0.71073","MoKα","","0.1025","0.0507","","","0.0882","0.1053","","","","","","0.944","","","","has coordinates","283801","2023-05-16","01:17:50",""
"7246793","5.222","0.0012","12.756","0.004","15.674","0.006","90","","90","","90","","1044.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H N O P Zn -","- C1.2 H5.6 N0.8 O3.2 P0.8 Zn0.4 -","- C12 H56 N8 O32 P8 Zn4 -","10","2.5","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","0.71073","MoKα","","0.0268","0.0221","","0.0572","0.0553","","","","1.102","1.085","1.085","","","","","has coordinates","283802","2023-05-16","01:18:59",""
"7246794","5.1765","","5.1765","","8.5758","","90","","90","","120","","199.011","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Strontium Dialuminate - Ht","","- Al2 O4 Sr -","- Al2 O6 Sr -","- Al4 O12 Sr2 -","2","0.166667","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","","","","0.0238","","","","","","","","","","","","","","","has coordinates","283802","2023-05-16","01:19:02",""
"7246795","11.215","","11.215","","11.215","","90","","90","","90","","1410.58","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","Thulium Magnesium (5/24)","","- Mg24 Tm5 -","- Mg24 Tm5 -","- Mg48 Tm10 -","2","0.0416667","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","","","","","","","","","","","","","","","","","","","has coordinates","283802","2023-05-16","01:19:05",""
"7246796","5.2677","0.0005","13.3025","0.0013","14.7833","0.0014","90","","96.049","0.001","90","","1030.15","0.17","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 N2 O8 P2 Zn -","- C3 H13 N2 O8 P2 Zn -","- C12 H52 N8 O32 P8 Zn4 -","4","1","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","0.71073","MoKα","","0.0366","0.029","","0.0916","0.0783","","","","1.127","1.033","1.033","","","","","has coordinates","283802","2023-05-16","01:19:08",""
"7246797","20.777","0.003","10.2704","0.0015","16.306","0.002","90","","105.52","0.005","90","","3352.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.03","0.0251","","","0.0664","0.0704","","","","","","1.089","","","","has coordinates","284922","2023-07-05","10:10:20",""
"7246798","20.72","0.003","10.2647","0.0014","16.365","0.002","90","","105.495","0.005","90","","3354.1","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0315","0.0256","","","0.0686","0.0735","","","","","","1.078","","","","has coordinates","284922","2023-07-05","10:10:22",""
"7246799","20.676","0.003","10.2639","0.0013","16.439","0.002","90","","105.457","0.004","90","","3362.4","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0365","0.0293","","","0.0769","0.0831","","","","","","1.074","","","","has coordinates","284922","2023-07-05","10:10:41",""
"7246800","20.634","0.002","10.2655","0.0012","16.499","0.0019","90","","105.415","0.004","90","","3369.1","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0494","0.0357","","","0.0917","0.1031","","","","","","1.07","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246801","20.439","0.003","10.2687","0.0017","16.814","0.003","90","","105.349","0.006","90","","3403.1","1","396","2","400","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0517","0.0296","","","0.0859","0.1023","","","","","","1.051","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246802","20.376","0.003","10.2653","0.0014","16.928","0.002","90","","105.342","0.005","90","","3414.6","0.8","450","2","450","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0664","0.0344","","","0.097","0.1194","","","","","","1.049","","","","has coordinates,has disorder","284922","2023-07-05","10:10:47",""
"7246803","20.504","0.003","10.2634","0.0013","16.711","0.002","90","","105.36","0.005","90","","3391.1","0.8","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.056","0.0317","","","0.0897","0.1079","","","","","","1.054","","","","has coordinates,has disorder","284922","2023-07-05","10:10:50",""
"7246804","20.57","0.002","10.2665","0.0012","16.5997","0.0018","90","","105.387","0.004","90","","3379.9","0.6","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0561","0.0331","","","0.0943","0.1105","","","","","","1.087","","","","has coordinates,has disorder","284922","2023-07-05","10:10:53",""
"7246805","5.355","0.003","8.831","0.003","11.415","0.004","90","","90.79","0.03","90","","539.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","1","","Wojtaś, Maciej; Bednarchuk, Tamara J.; Bdikin, Igor","New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity","CrystEngComm","2023","25","25","3609","3617","10.1039/D3CE00308F","","","0.71073","MoKα","","0.0504","0.0447","","","0.1118","0.1154","","","","","","1.052","","","","has coordinates","284920","2023-07-05","10:09:01",""
"7246806","7.7358","0.0005","14.8013","0.0009","20.4291","0.0012","104.624","0.005","95.034","0.005","94.905","0.005","2240.5","0.2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Name eingeben","EDOT-Amide-TPA","","- C50 H48 N4 O9 S2 -","- C50 H48 N4 O9 S2 -","- C100 H96 N8 O18 S4 -","2","1","","Wolf, Florian; Sirtl, Maximilian T.; Klenk, Sebastian; Wurzenberger, Maximilian H. H.; Armer, Melina; Dörflinger, Patrick; Ganswindt, Patrick; Guntermann, Roman; Dyakonov, Vladimir; Bein, Thomas","Behind the scenes: insights into the structural properties of amide-based hole-transporting materials for lead-free perovskite solar cells","CrystEngComm","2023","25","21","3142","3149","10.1039/D2CE01512A","","x-ray","0.71073","MoKα","","0.1323","0.0627","","","0.0921","0.1162","","","","","","0.992","","","","has coordinates","284275","2023-06-05","04:28:37",""
"7246807","10.1696","0.0015","10.2024","0.0016","14.523","0.002","78.333","0.005","79.157","0.005","86.414","0.005","1448.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","2","","Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH","ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00165B","","","0.71073","MoKα","","0.1034","0.0761","","","0.2132","0.24","","","","","","1.045","","","","has coordinates","283842","2023-05-18","00:04:23",""
"7246808","9.0301","0.0004","13.7515","0.0007","11.0994","0.0007","90","","94.892","0.005","90","","1373.27","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C56 H48 N16 O12 S4 -","4","1","","Nandakumar, Vandana; Sundarasamy, Amsaveni; Adhigaman , Kaviyarasu; Ramasamy, Sentamil Selvi; Paulpandi, Manickam; Kodiveri Muthukaliannan, Gothandam; Narayanasamy, Arul; THANGARAJ, SURESH","ANTI PROLIFERATIVE ACTIVITY OF NITROQUINOLONE FUSED ACYLHYDRAZONES AS NON-SMALL CELL HUMAN LUNG CANCER AGENTS","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00165B","","x-ray","0.71073","MoKα","","0.068","0.0447","","","0.1052","0.1203","","","","","","1.025","","","","has coordinates","283842","2023-05-18","00:04:23",""
"7246809","7.3092","0.0006","10.4613","0.0009","12.143","0.001","72.439","0.003","87.404","0.003","81.976","0.003","876.56","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N3 O3 Se -","- C17 H16 Cl N3 O3 Se -","- C34 H32 Cl2 N6 O6 Se2 -","2","1","","Liu, Huan; Ye, Zi-Lin; Cai, Zhong-Jian; Ji, Shun-Jun","A multicomponent reaction of isocyanides, selenium powder and 3-aminooxetanes in pure water: green and efficient synthesis of 1,3-selenazolines","Green Chemistry","2023","25","11","4239","4243","10.1039/D3GC00708A","","","0.71073","MoKα","","0.0563","0.0399","","","0.0966","0.1061","","","","","","1.03","","","","has coordinates","286152","2023-09-05","19:59:06",""
"7246810","10.116","0.003","10.401","0.004","13.707","0.005","92.118","0.005","106.385","0.005","116.737","0.005","1212.9","0.7","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Cd2 N4 O19 -","- C52 H48 Cd2 N4 O19 -","- C52 H48 Cd2 N4 O19 -","1","0.5","","Song, Xiaoming; Dong, Wenzhuo; Hou, Xiufang; Zhao, Qingxia; Zhang, Zhuangzhuang; Ren, Yixia","The high fluorescence sensitivity property and quenching mechanism of one-dimensional Cd-HCIA-1 sensor for nitrobenzene.","Physical chemistry chemical physics : PCCP","2023","25","21","14907","14917","10.1039/d3cp00295k","","","0.71073","MoKα","","0.0332","0.0289","","","0.0713","0.0736","","","","","","1.062","","","","has coordinates","284342","2023-06-05","05:01:10",""
"7246811","9.1149","0.0002","7.9249","0.0002","10.3451","0.0002","90","","92.043","0.001","90","","746.8","0.03","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H20 Au Cl4 N -","- C8 H20 Au Cl4 N -","- C16 H40 Au2 Cl8 N2 -","2","0.5","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0198","0.0188","","","0.044","0.0445","","","","","","1.116","","","","has coordinates","286150","2023-09-05","19:58:50",""
"7246812","9.3812","0.0003","8.2418","0.0003","10.5053","0.0004","90","","90.562","0.002","90","","812.21","0.05","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H20 Au Br4 N -","- C8 H20 Au Br4 N -","- C16 H40 Au2 Br8 N2 -","2","0.5","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0301","0.028","","","0.0698","0.072","","","","","","1.043","","","","has coordinates","286150","2023-09-05","19:58:50",""
"7246813","14.8787","0.0003","8.931","0.0002","18.277","0.0004","90","","107.259","0.001","90","","2319.32","0.09","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Au Cl4 N -","- C16 H36 Au Cl4 N -","- C64 H144 Au4 Cl16 N4 -","4","1","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0684","0.0568","","","0.1422","0.1604","","","","","","1.051","","","","has coordinates","286150","2023-09-05","19:58:50",""
"7246814","12.1431","0.0006","12.1431","0.0006","8.5038","0.0005","90","","90","","90","","1253.93","0.11","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H36 Au Br4 N -","- C16 H36 Au Br4 N -","- C32 H72 Au2 Br8 N2 -","2","0.25","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0819","0.0759","","","0.1804","0.1886","","","","","","1.168","","","","has coordinates,has disorder","286150","2023-09-05","19:58:51",""
"7246815","8.1965","0.0002","8.7398","0.0002","38.9304","0.001","90","","92.271","0.001","90","","2786.62","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H42 Au Br4 N -","- C19 H42 Au Br4 N -","- C76 H168 Au4 Br16 N4 -","4","1","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.1","0.0762","","","0.2057","0.226","","","","","","1.082","","","","has coordinates","286150","2023-09-05","19:58:51",""
"7246816","10.8178","0.0003","10.8178","0.0003","33.0213","0.0013","90","","90","","120","","3346.59","0.19","250","0.3","250","0.3","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0538","0.0484","","","0.1133","0.1166","","","","","","1.086","","","","has coordinates,has disorder","284916","2023-07-05","10:07:16",""
"7246817","10.7307","0.0002","10.7307","0.0002","31.9228","0.0009","90","","90","","120","","3183.37","0.12","80.4","0.12","80.4","0.12","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0333","0.0302","","","0.0594","0.0604","","","","","","1.135","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246818","11.7873","0.0013","10.8372","0.0006","21.595","0.003","90.927","0.007","131.808","0.015","89.563","0.007","2055.9","0.6","80.7","0.7","80.7","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C48 H96 B4 F16 Fe1.3 N48 Ru0.7 -","2","1","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.1539","0.0753","","","0.141","0.1617","","","","","","0.903","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246819","21.411","0.002","16.5319","0.0015","13.6853","0.0013","90","","105.095","0.001","90","","4677","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O31 -","- C36 H36 Cd3 N4 O31 -","- C144 H144 Cd12 N16 O124 -","4","0.5","","Ning, Shigang; Yan, Bingcheng; Wu, Junrong; Chen, Sen; Chen, Weipeng; Tian, Hongju; Zhang, Shaowei","A stable 2D luminescent metal–organic framework as a highly sensitive sensor for Fe3+ and Cr2O72−/CrO42− in water","CrystEngComm","2023","25","24","3539","3547","10.1039/D3CE00370A","","","0.71073","MoKα","","0.0575","0.0413","","","0.1013","0.1129","","","","","","1.026","","","","has coordinates","284912","2023-07-05","10:05:19",""
"7246820","7.2016","0.0005","18.2857","0.0012","18.8379","0.0013","90","","97.855","0.003","90","","2457.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C H N O -","- C2.12245 H1.95918 N0.326531 O0.653061 -","- C104 H96 N16 O32 -","49","12.25","","Bawa, Rashim; Negi, Swati; Singh, Bholey; Pani, Balaram; Kumar, Rakesh","A pyridine dicarboxylate based hydrazone Schiff base for reversible colorimetric recognition of Ni2+ and PPi","RSC Advances","2023","13","23","15391","15400","10.1039/D3RA02021E","","","0.71073","MoKα","","0.146","0.1","","","0.2492","0.2784","","","","","","1.258","","","","has coordinates","283951","2023-05-23","01:18:20",""
"7246821","16.418","0.006","19.301","0.007","35.287","0.012","82.233","0.008","90","","90","","11079","7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N Ni O -","- C2.99281 H2.43165 N0.460432 Ni0.057554 O0.94964 -","- C416 H338 N64 Ni8 O132 -","139","69.5","","Bawa, Rashim; Negi, Swati; Singh, Bholey; Pani, Balaram; Kumar, Rakesh","A pyridine dicarboxylate based hydrazone Schiff base for reversible colorimetric recognition of Ni2+ and PPi","RSC Advances","2023","13","23","15391","15400","10.1039/D3RA02021E","","","0.71073","MoKα","","0.5508","0.2187","","","0.3081","0.3936","","","","","","1.168","","","","has coordinates","283951","2023-05-23","01:18:21",""
"7246822","11.5055","0.0003","11.9465","0.0003","11.9621","0.0003","63.454","0.001","78.323","0.001","62.154","0.001","1300.5","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0687","0.0422","","","0.1081","0.1143","","","","","","0.963","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246823","11.4616","0.0006","11.9174","0.0006","11.9565","0.0006","64.094","0.002","78.975","0.002","62.088","0.002","1297.97","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0006 Br1.0006 N2 O4 S2 -","- C60 H46.0012 Br2.0012 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0816","0.0693","","","0.1928","0.2008","","","","","","1.115","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246824","20.1661","0.0011","11.754","0.0011","14.9001","0.0012","90","","131.943","0.005","90","","2627","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","0.5","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1315","0.1082","","","0.2874","0.3122","","","","","","1.122","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246825","11.526","0.001","11.806","0.0011","12.2903","0.0011","63.453","0.004","78.22","0.004","61.19","0.003","1310.8","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0003 Br1.0003 N2 O4 S2 -","- C60 H46.0006 Br2.0006 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1635","0.1331","","","0.4123","0.4426","","","","","","1.913","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246826","9.6809","0.0003","8.4899","0.0003","31.9397","0.001","90","","96.48","0.001","90","","2608.35","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0325","0.0305","","","0.0754","0.0766","","","","","","1.053","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246827","11.5018","0.0005","11.936","0.0005","11.9547","0.0005","63.482","0.001","78.39","0.002","62.15","0.001","1298.39","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0446","0.0387","","","0.1104","0.1143","","","","","","1.114","","","","has coordinates,has disorder","286089","2023-09-05","19:35:59",""
"7246828","14.1064","0.0007","23.6828","0.0012","17.4985","0.0009","90","","90","","90","","5845.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H126 N8 O25 -","- C90 H126 N8 O25 -","- C180 H252 N16 O50 -","2","1","","Xu, Yiming; Chen, Kui; Ju, Xiang; Wu, Bin; Li, Xiaoting; Ji, Lijun; Wu, Yanyang","The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin","CrystEngComm","2023","25","25","3662","3673","10.1039/D3CE00300K","","","1.54178","CuKα","","0.0492","0.0462","","","0.1324","0.1363","","","","","","1.052","","","","has coordinates","284918","2023-07-05","10:08:18",""
"7246829","12.545","0.005","3.9268","0.0016","21.018","0.009","90","","106.758","0.006","90","","991.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O2 S -","- C11 H9 N O2 S -","- C44 H36 N4 O8 S4 -","4","1","","Li, Dandan; Chen, Long; Jin, Yang; Wang, Xiaochen; Liu, Long; Li, Yilin; Chen, Gongyuan; Wu, Guanhao; Qin, Yujie; Yang, Leilei; Wang, Mengke; Zhao, Lulu; Xu, Zhihong; Wen, Jiangwei","An electrochemical-enabled cascaded cyclization of enaminones with potassium thiocyanate and alcohols to access 2-alkoxythiazoles","Green Chemistry","2023","25","12","4656","4661","10.1039/D3GC01194A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0943","0.0979","","","","","","1.01","","","","has coordinates","286154","2023-09-05","19:59:24",""
"7246830","8.998","0.003","13.804","0.004","14.731","0.004","90","","92.647","0.01","90","","1827.8","0.9","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Yang, Na; Li, Anni; Gao, Hui; Liao, Li-Mei; Yang, Yu-Ping; Wang, Pei-Long; Li, Hongji","Electrochemical oxidation-induced benzylic C(sp3)–H functionalization towards the atom-economic synthesis of oxazole heterocycles","Green Chemistry","2023","25","13","5128","5133","10.1039/D2GC04782A","","","0.71073","MoKα","","0.0523","0.0401","","","0.1013","0.1142","","","","","","1.057","","","","has coordinates","286144","2023-09-05","19:57:42",""
"7246831","22.70389","0.00013","13.29859","0.00007","5.82409","0.00003","90","","90","","90","","1758.47","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H16 Br N S -","- C22 H16 Br N S -","- C88 H64 Br4 N4 S4 -","4","1","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0168","0.0167","","","0.043","0.043","","","","","","1.068","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246832","24.9095","0.0005","5.8669","0.0001","25.8562","0.0006","90","","111.533","0.002","90","","3514.94","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-5-chloro-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H16 Cl N S -","- C22 H16 Cl N S -","- C176 H128 Cl8 N8 S8 -","8","1","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0382","0.0348","","","0.0865","0.0899","","","","","","1.089","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246833","10.2654","0.0002","7.0454","0.0001","12.4963","0.0003","90","","92.802","0.002","90","","902.7","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-7-bromo-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H16 Br N S -","- C22 H16 Br N S -","- C44 H32 Br2 N2 S2 -","2","0.5","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0303","0.028","","","0.0782","0.0805","","","","","","1.007","","","","has coordinates,has disorder","286146","2023-09-05","19:58:00",""
"7246834","10.1263","0.0003","6.9258","0.0002","12.6138","0.0004","90","","92.516","0.003","90","","883.79","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-7-chloro-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H17 Cl N S -","- C22 H16 Cl N S -","- C44 H32 Cl2 N2 S2 -","2","0.5","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.1099","0.1159","","","","","","0.916","","","","has coordinates,has disorder","286146","2023-09-05","19:58:00",""
"7246835","11.3822","0.0002","12.2394","0.0003","16.8294","0.0004","74.05","0.002","80.114","0.002","67.955","0.002","2083.27","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","(Z)-5-(tert-butyl)-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C26 H25 N S -","- C26 H25 N S -","- C104 H100 N4 S4 -","4","2","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0704","0.0658","","","0.1765","0.1816","","","","","","1.046","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246836","14.3393","0.0003","13.6235","0.0003","18.0779","0.0004","90","","105.504","0.002","90","","3403.04","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 Nd2 O49 -","- C36 H68 N31 Nd2 O49 -","- C72 H136 N62 Nd4 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0267","0.0228","","","0.0521","0.0535","","","","","","1.049","","","","has coordinates,has disorder","284923","2023-07-05","10:11:52",""
"7246837","14.3566","0.0004","13.5936","0.0004","18.0138","0.0005","90","","105.343","0.003","90","","3390.24","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 O49 Sm2 -","- C36 H68 N31 O49 Sm2 -","- C72 H136 N62 O98 Sm4 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.03","0.0247","","","0.0569","0.0591","","","","","","1.051","","","","has coordinates,has disorder","284923","2023-07-05","10:11:55",""
"7246838","14.36","0.002","13.586","0.003","17.933","0.003","90","","105.395","0.002","90","","3373.1","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 Gd2 N31 O49 -","- C36 H68 Gd2 N31 O49 -","- C72 H136 Gd4 N62 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.032","0.0312","","","0.08","0.0806","","","","","","1.042","","","","has coordinates,has disorder","284923","2023-07-05","10:11:58",""
"7246839","25.7641","0.0004","25.7641","0.0004","31.6786","0.0006","90","","90","","120","","18210.7","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Dy2 N32 O63 -","- C36 H36 Dy2 N32 O62.9998 -","- C324 H324 Dy18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0331","0.0303","","","0.0874","0.0891","","","","","","1.068","","","","has coordinates,has disorder","284923","2023-07-05","10:12:01",""
"7246840","13.42009","0.00018","14.43599","0.00018","18.2561","0.0002","73.8067","0.0011","87.3433","0.0011","87.7224","0.0011","3391.5","0.07","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 Eu2 N31 O49 -","- C36 H69 Eu2 N31 O49 -","- C72 H138 Eu4 N62 O98 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0549","0.0564","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246841","13.386","0.003","14.4235","0.0013","18.1775","0.0013","73.769","0.002","87.34","0.004","87.608","0.005","3364.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 N31 O49 Tb2 -","- C36 H69 N31 O49 Tb2 -","- C72 H138 N62 O98 Tb4 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.0387","0.0363","","","0.0994","0.1011","","","","","","1.067","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246842","25.8081","0.0006","25.8081","0.0006","31.7446","0.0009","90","","90","","120","","18311","0.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Er2 N32 O63 -","- C36 H36 Er2 N32 O62.9998 -","- C324 H324 Er18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0266","0.0254","","","0.0695","0.0704","","","","","","1.062","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246843","25.8703","0.0006","25.8703","0.0006","31.8766","0.0008","90","","90","","120","","18475.9","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Ho2 N32 O63 -","- C36 H36 Ho2 N32 O62.9978 -","- C324 H324 Ho18 N288 O566.98 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0858","0.0882","","","","","","1.058","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246844","25.7946","0.0004","25.7946","0.0004","31.7638","0.0006","90","","90","","120","","18302.9","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 N32 O63 Yb2 -","- C36 H36 N32 O63.0018 Yb2 -","- C324 H324 N288 O567.016 Yb18 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.71073","MoKα","","0.0455","0.0334","","","0.0923","0.0963","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246845","11.4572","0.0004","18.7701","0.0007","11.9458","0.0005","90","","98.041","0.004","90","","2543.72","0.17","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C54 H68 O10 -","- C54 H68 O10 -","- C108 H136 O20 -","2","1","","Bao, Xiaobo; Yu, Wei; Wang, Lilin; Dong, Xu; Wang, Guoli; Chen, Weilin; Li, Fei; Chen, Dongyin","Synthesis of 4-aryl-3,4-dihydrocoumarins and 4-aryl-4H-chromenes via Er(OTf)3-catalyzed cascade reactions of p-quinone methides with 1,3-dicarbonyl compounds","RSC Advances","2023","13","23","15942","15946","10.1039/D3RA02267F","","x-ray","1.54184","CuKα","","0.0875","0.0798","","","0.2223","0.2385","","","","","","1.071","","","","has coordinates","284037","2023-05-27","01:29:46",""
"7246846","18.6928","0.0002","14.6757","0.0001","21.8092","0.0003","90","","99.363","0.001","90","","5903.21","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1","","- C32 H42 O4 -","- C32 H42 O4 -","- C256 H336 O32 -","8","1","","Bao, Xiaobo; Yu, Wei; Wang, Lilin; Dong, Xu; Wang, Guoli; Chen, Weilin; Li, Fei; Chen, Dongyin","Synthesis of 4-aryl-3,4-dihydrocoumarins and 4-aryl-4H-chromenes via Er(OTf)3-catalyzed cascade reactions of p-quinone methides with 1,3-dicarbonyl compounds","RSC Advances","2023","13","23","15942","15946","10.1039/D3RA02267F","","x-ray","1.54184","CuKα","","0.0577","0.053","","","0.1516","0.1558","","","","","","1.105","","","","has coordinates","284037","2023-05-27","01:29:47",""
"7246847","7.0963","0.0005","9.7638","0.0007","12.7882","0.0007","111.519","0.006","96.992","0.005","92.865","0.006","813.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-chloro-1,2,3,4,9,10,11,12-octahydro- [1,4]-diazepine-[5,6,7-kl]-acridine monohydrochloride dihydrate","","- C15 H21 Cl2 N3 O2 -","- C15 H21 Cl2 N3 O2 -","- C30 H42 Cl4 N6 O4 -","2","1","","Mojzych, Ilona; Zawadzka, Anna; Kaczyńska, Katarzyna; Wojciechowski, Piotr; Zając, Dominika; Chotkowski, Maciej; Wiktorska, Katarzyna; Maurin, Jan K.; Mazur, Maciej","A tetrahydroacridine derivative and its conjugate with gold nanoparticles: promising agents for the treatment of Alzheimer's disease.","Physical chemistry chemical physics : PCCP","2023","25","25","16796","16806","10.1039/d3cp00767g","","","1.54178","CuKα","","0.088","0.0364","","","0.0702","0.0791","","","","","","0.762","","","","has coordinates","284977","2023-07-05","11:02:41",""
"7246848","17.0916","0.0003","17.0966","0.0002","17.6141","0.0002","90","","118.3","0.002","90","","4531.8","0.14","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H61 B F4 N2 O -","- C48 H61 B F4 N2 O -","- C192 H244 B4 F16 N8 O4 -","4","2","","Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot","Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids.","Physical chemistry chemical physics : PCCP","2023","25","22","15463","15468","10.1039/d3cp01881d","","x-ray","1.54184","CuKα","","0.0542","0.0502","","","0.1426","0.1486","","","","","","1.035","","","","has coordinates","284975","2023-07-05","11:02:04",""
"7246849","14.6277","0.0002","16.6892","0.0002","17.0756","0.0002","112.68","0.0013","96.2268","0.0012","105.711","0.0013","3594.61","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H54 B2 Cl3 F30 N3 O -","- C73.5 H54 B2 Cl3 F30 N3 O -","- C147 H108 B4 Cl6 F60 N6 O2 -","2","1","","Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot","Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids.","Physical chemistry chemical physics : PCCP","2023","25","22","15463","15468","10.1039/d3cp01881d","","","1.5418","CuKα","","0.0653","0.0602","","0.1673","0.1608","0.1673","","","","","","0.9878","","","","has coordinates","284975","2023-07-05","11:02:05",""
"7246850","5.7701","0.0004","11.1748","0.0008","42.916","0.003","90","","90","","90","","2767.2","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(ferrocenyl amine)-ITFE","(N,N-Dimethyl ferrocenyl amine)2.Iodo trifluoroethene","","- C28 H34 F3 Fe2 I N2 -","- C28 H34 F3 Fe2 I N2 -","- C112 H136 F12 Fe8 I4 N8 -","4","1","","Kreienborg, Nora M.; Otte, Felix; Strohmann, Carsten; Merten, Christian","Simultaneous observation of halogen-lone pair and halogen-π interactions of ferrocene derivatives under cryogenic conditions.","Physical chemistry chemical physics : PCCP","2023","25","22","15110","15114","10.1039/d3cp01661g","","x-ray","0.71073","MoKα","","0.0366","0.0327","","","0.0677","0.0687","","","","","","1.146","","","","has coordinates","284976","2023-07-05","11:02:16",""
"7246851","9.3303","0.0017","17.815","0.003","10.836","0.0018","90","","112.207","0.005","90","","1667.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 S -","- C17 H14 F3 N O2 S -","- C68 H56 F12 N4 O8 S4 -","4","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0759","0.0578","","","0.1455","0.1624","","","","","","1.131","","","","has coordinates","286145","2023-09-05","19:57:50",""
"7246852","9.8704","0.0003","16.865","0.0005","11.3723","0.0004","90","","115.314","0.001","90","","1711.3","0.1","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F3 N O2 S -","- C18 H16 F3 N O2 S -","- C72 H64 F12 N4 O8 S4 -","4","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0413","0.0375","","","0.0967","0.1008","","","","","","1.027","","","","has coordinates","286145","2023-09-05","19:57:50",""
"7246853","8.9764","0.0005","9.7004","0.0006","10.5392","0.0006","102.617","0.002","92.927","0.002","99.557","0.002","879.46","0.09","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O2 S -","- C18 H16 F3 N O2 S -","- C36 H32 F6 N2 O4 S2 -","2","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0429","0.0399","","","0.1082","0.1116","","","","","","1.027","","","","has coordinates","286145","2023-09-05","19:57:50",""
"7246854","8.8998","0.0002","16.2836","0.0004","10.5436","0.0003","90","","107.423","0.001","90","","1457.88","0.06","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 O2 S -","- C16 H11 F3 O2 S -","- C64 H44 F12 O8 S4 -","4","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0449","0.034","","","0.0692","0.0746","","","","","","1.054","","","","has coordinates","286145","2023-09-05","19:57:51",""
"7246855","14.4736","0.0012","7.8609","0.0006","17.8444","0.0016","90","","106.052","0.009","90","","1951.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O2 -","- C22 H18 Cl N3 O2 -","- C88 H72 Cl4 N12 O8 -","4","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0763","0.0676","","","0.2005","0.2202","","","","","","1.06","","","","has coordinates","284116","2023-06-01","01:07:03",""
"7246856","10.4688","0.0005","10.5163","0.0005","18.8519","0.001","90","","100.789","0.005","90","","2038.78","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C104 H80 N16 O4 -","4","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0623","0.0551","","","0.1496","0.1619","","","","","","1.064","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246857","10.4658","0.0008","9.9343","0.0008","43.524","0.003","90","","90","","90","","4525.2","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C208 H216 N40 O16 -","8","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0573","0.0537","","","0.1503","0.1551","","","","","","1.041","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246858","12.2765","0.0007","14.1241","0.0008","10.5227","0.0005","90","","105.977","0.006","90","","1754.1","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0572","0.0497","","","0.1305","0.1398","","","","","","1.035","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246859","22.9964","0.001","22.9964","0.001","14.1407","0.0017","90","","90","","90","","7478.1","1","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H20 N4 O -","- C22 H20 N4 O -","- C352 H320 N64 O16 -","16","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0562","0.0506","","","0.1371","0.1453","","","","","","1.041","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246860","27.2148","0.0009","13.102","0.0004","28.9686","0.0011","90","","114.483","0.004","90","","9400.5","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C86 H132 F6 N16 O10 S -","- C86 H132 F6 N16 O10 S -","- C344 H528 F24 N64 O40 S4 -","4","0.5","","Gogoi, Anamika; Dutta, Dipjyoti; Gil-Hernández, Beatriz; Dey, Sandeep Kumar","Anion-exchange facilitated selective extraction of sulfate and phosphate by overcoming the Hofmeister bias","RSC Advances","2023","13","24","16185","16195","10.1039/D3RA01771K","","","1.54184","CuKα","","0.0941","0.0778","","","0.2522","0.2821","","","","","","1.021","","","","has coordinates,has disorder","284117","2023-06-01","01:07:52",""
"7246861","11.1702","0.0001","12.6477","0.0001","23.5283","0.0003","90","","92.215","0.001","90","","3321.53","0.06","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0592","0.0552","","","0.1516","0.1554","","","","","","1.068","","","","has coordinates","286084","2023-09-05","19:33:50",""
"7246862","11.387","0.0001","12.606","0.0001","23.8251","0.0002","90","","90.177","0.001","90","","3419.95","0.05","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0584","0.0529","","","0.1417","0.1456","","","","","","1.116","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246863","11.47081","0.00014","12.93413","0.00016","23.8498","0.0003","90","","92.8489","0.0011","90","","3534.1","0.08","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0573","0.0528","","","0.1453","0.1499","","","","","","1.09","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246864","11.2214","0.0001","12.689","0.0001","23.7424","0.0002","90","","90.033","0.001","90","","3380.64","0.05","150","0.5","150","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Fe I N4 O3 -","- C35 H44 Fe I N4 O3 -","- C140 H176 Fe4 I4 N16 O12 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0474","0.0447","","","0.1203","0.1221","","","","","","1.093","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246865","11.37248","0.00011","13.01255","0.00013","23.3736","0.0002","90","","93.9098","0.0008","90","","3450.89","0.06","130","0.5","130","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0566","0.054","","","0.1429","0.1458","","","","","","1.04","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246866","11.38862","0.00017","13.0145","0.0002","23.4046","0.0004","90","","93.6869","0.0014","90","","3461.78","0.1","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0701","0.0663","","","0.1849","0.189","","","","","","1.056","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246867","11.54644","0.00013","13.04848","0.00016","23.9438","0.0003","90","","93.0092","0.001","90","","3602.48","0.08","295.9","","295.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.064","0.0552","","","0.1551","0.1632","","","","","","1.0275","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246868","7.3227","0.0009","8.995","0.0014","15.321","0.002","90","","103.442","0.006","90","","981.5","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl N3 Se -","- C8 H10 Cl N3 Se -","- C32 H40 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0294","0.0265","","","0.0648","0.0689","","","","","","1.241","","","","has coordinates","284917","2023-07-05","10:07:32",""
"7246869","7.8986","0.0015","14.662","0.004","9.851","0.004","90","","111.161","0.015","90","","1063.9","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O Se -","- C7 H10 Cl N5 O Se -","- C28 H40 Cl4 N20 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0455","0.0387","","","0.1028","0.1063","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:07:43",""
"7246870","6.9994","0.001","8.8877","0.001","20.694","0.005","90","","90","","90","","1287.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N3 O Se -","- C13 H12 Cl N3 O Se -","- C52 H48 Cl4 N12 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0383","0.0334","","","0.0836","0.0858","","","","","","1.015","","","","has coordinates","284917","2023-07-05","10:07:47",""
"7246871","5.3306","0.0007","14.043","0.004","16.798","0.002","90","","93.025","0.004","90","","1255.7","0.4","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl N3 O2 Se -","- C10 H14 Cl N3 O2 Se -","- C40 H56 Cl4 N12 O8 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0396","0.0286","","","0.0576","0.0609","","","","","","1.025","","","","has coordinates","284917","2023-07-05","10:07:58",""
"7246872","11.922","0.004","6.546","0.003","14.62","0.005","90","","108.226","0.016","90","","1083.7","0.7","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C9 H11 Cl N4 Se -","- C9 H11 Cl N4 Se -","- C36 H44 Cl4 N16 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0481","0.0338","","","0.0786","0.0888","","","","","","1.027","","","","has coordinates","284917","2023-07-05","10:08:02",""
"7246873","6.8384","0.0015","9.403","0.002","10.236","0.002","67.561","0.009","74.848","0.01","70.534","0.011","566.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cl N3 O4 Se -","- C8 H10 Cl N3 O4 Se -","- C16 H20 Cl2 N6 O8 Se2 -","2","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0232","0.0212","","","0.0497","0.0504","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246874","7.811","0.004","7.811","","23.699","0.008","90","","90","","90","","1445.9","0.9","300","","300","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H12 Cl N3 Se -","- C16 H12 Cl N3 Se -","- C64 H48 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0348","0.0331","","","0.0858","0.0866","","","","","","1.114","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246875","15.3881","0.0006","9.8662","0.0003","18.2499","0.0008","90","","105.566","0.001","90","","2669.11","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N3 Se -","- C32 H30 B N3 Se -","- C128 H120 B4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.061","0.048","","","0.123","0.1296","","","","","","1.049","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246876","7.6105","0.001","12.1722","0.0014","19.257","0.002","90","","90","","90","","1783.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Zárate-Roldán, Stephany; Gimeno, M. Concepción; Herrera, Raquel P.","Alkylation of amines with allylic alcohols and deep eutectic solvents as metal-free and green promoters","Green Chemistry","2023","25","14","5601","5612","10.1039/D3GC01017A","","","0.71073","MoKα","","0.0321","0.0308","","","0.0812","0.0822","","","","","","1.043","","","","has coordinates","286148","2023-09-05","19:58:16",""
"7246877","15.447","0.003","5.6795","0.0011","21.658","0.004","90","","108.34","0.03","90","","1803.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N -","- C23 H23 N -","- C92 H92 N4 -","4","1","","Zárate-Roldán, Stephany; Gimeno, M. Concepción; Herrera, Raquel P.","Alkylation of amines with allylic alcohols and deep eutectic solvents as metal-free and green promoters","Green Chemistry","2023","25","14","5601","5612","10.1039/D3GC01017A","","","0.71073","MoKα","","0.1029","0.0925","","","0.2656","0.2781","","","","","","1.057","","","","has coordinates","286148","2023-09-05","19:58:16",""
"7246878","9.8173","0.0004","12.9566","0.0006","14.7156","0.0004","90","","101.124","0.002","90","","1836.64","0.12","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Ag B F4 N4 O4 -","- C18 H12 Ag B F4 N4 O4 -","- C72 H48 Ag4 B4 F16 N16 O16 -","4","0.5","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","","0.71073","MoKα","","0.035","0.0295","","","0.0671","0.0697","","","","","","1.115","","","","has coordinates","286095","2023-09-05","19:37:04",""
"7246879","10.048","0.0002","16.8535","0.0002","14.5843","0.0002","90","","98.505","0.002","90","","2442.6","0.07","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C80 H64 Ag8 B8 F32 N16 O8 -","8","1","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","x-ray","1.54184","CuKα","","0.0508","0.0462","","","0.1285","0.1329","","","","","","1.072","","","","has coordinates","286095","2023-09-05","19:37:05",""
"7246880","7.5657","0.0015","11.619","0.002","25.402","0.005","90","","90","","90","","2233","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0431","0.0404","","","0.1049","0.1072","","","","","","1.084","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246881","7.3489","0.0015","14.605","0.003","19.983","0.004","90","","90","","90","","2144.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0599","0.0416","","","0.0986","0.109","","","","","","1.05","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246882","6.2259","0.0012","7.1884","0.0014","23.607","0.005","90","","90","","90","","1056.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0376","0.0328","","","0.0752","0.0774","","","","","","1.062","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246883","6.8817","0.0014","8.3267","0.0017","10.789","0.002","83.96","0.03","76.71","0.03","70.02","0.03","565.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O5 -","- C10 H11 N3 O5 -","- C20 H22 N6 O10 -","2","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0592","0.0432","","","0.0978","0.1058","","","","","","1.031","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246884","10.812","0.002","18.958","0.004","7.114","0.0014","90","","116.03","0.03","90","","1310.3","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C56 H72 Co4 N8 O20 -","4","0.5","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0518","0.0506","","","0.1546","0.1556","","","","","","1.188","","","","has coordinates","286088","2023-09-05","19:35:42",""
"7246885","9.655","0.0019","16.355","0.003","11.069","0.002","90","","110.97","0.03","90","","1632.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N2 O5 -","- C18 H14 Co N2 O5 -","- C72 H56 Co4 N8 O20 -","4","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0529","0.0491","","","0.1533","0.1563","","","","","","1.191","","","","has coordinates","286088","2023-09-05","19:35:43",""
"7246886","12.0754","0.0003","10.5591","0.0003","8.8651","0.0003","90","","90","","90","","1130.35","0.06","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C6 N16 -","- C6 N16 -","- C24 N64 -","4","1","","Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris","2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound","CrystEngComm","2023","25","27","3866","3869","10.1039/D3CE00563A","","","1.54184","CuKα","","0.0444","0.0409","","","0.0991","0.1015","","","","","","1.064","","","","has coordinates","286094","2023-09-05","19:36:53",""
"7246887","17.0985","0.0006","17.0985","0.0006","42.1074","0.0017","90","","90","","90","","12310.5","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cl2 Co N4 -","- C26 H28 Cl2 Co N4 -","- C416 H448 Cl32 Co16 N64 -","16","1","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0979","0.0725","","","0.2139","0.2397","","","","","","1.061","","","","has coordinates","286086","2023-09-05","19:35:15",""
"7246888","21.0837","0.0009","11.4677","0.0005","19.6425","0.0013","90","","119.297","0.002","90","","4141.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0445","0.0382","","","0.0962","0.1002","","","","","","1.06","","","","has coordinates,has disorder","286086","2023-09-05","19:35:26",""
"7246889","7.1842","0.0003","14.4765","0.0005","15.9555","0.0004","68.871","0.003","78.281","0.003","79.368","0.003","1504.29","0.1","297.24","0.1","297.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl N10 O7 -","- C28 H29 Cl N10 O7 -","- C56 H58 Cl2 N20 O14 -","2","1","","Wang, Zhi-Qing; Dai, Xia-Lin; Gu, Dai-Lin; Wu, Chao; Lu, Tong-Bu; Long, Xiang-Tian; Chen, Jia-Mei","Cocrystallization of lenvatinib and temozolomide to improve the performance in terms of stability, dissolution, and tabletability","CrystEngComm","2023","25","29","4189","4198","10.1039/D3CE00473B","","","1.54184","CuKα","","0.0707","0.05","","","0.1317","0.1482","","","","","","1.099","","","","has coordinates,has disorder","286079","2023-09-05","19:31:54",""
"7246890","12.0309","0.0008","13.9974","0.0009","14.7291","0.0009","103.276","0.001","106.729","0.001","110.009","0.001","2078.4","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0444","0.0411","","","0.1139","0.1163","","","","","","1.074","","","","has coordinates,has disorder","286096","2023-09-05","19:37:13",""
"7246891","11.944","0.0003","13.794","0.0004","14.6825","0.0004","102.637","0.001","106","","110.82","","2033.94","0.1","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0354","","","0.1025","0.1061","","","","","","1.033","","","","has coordinates,has disorder","286096","2023-09-05","19:37:14",""
"7246892","11.976","0.004","9.343","0.003","21.923","0.007","90","","97.91","0.005","90","","2429.7","1.4","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H29 Cl N4 O6 Zn -","- C22 H16 Cl N3 O3 Zn -","- C88 H64 Cl4 N12 O12 Zn4 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.056","0.0468","","","0.1002","0.1034","","","","","","1.0203","","","","has coordinates","286082","2023-09-05","19:32:43",""
"7246893","12.8121","0.0019","21.163","0.003","15.335","0.002","90","","113.952","0.002","90","","3799.9","0.9","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H79 Cl1.5 N13 O16.7 Zn3 -","- C78 H79 Cl1.5 N13 O16.702 Zn3 -","- C156 H158 Cl3 N26 O33.404 Zn6 -","2","0.5","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0808","0.0585","","","0.1562","0.1703","","","","","","1.023","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246894","15.521","0.007","21.92","0.011","23.657","0.011","90","","101.131","0.006","90","","7897","6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.78 H76.08 B F4 N13.89 O18.94 Zn3 -","- C77.7736 H76.0746 B F4 N13.8884 O18.9434 Zn3 -","- C311.094 H304.298 B4 F16 N55.5536 O75.7736 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0945","0.0539","","","0.1359","0.1551","","","","","","1.017","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246895","15.5019","0.0012","21.9566","0.0017","23.6652","0.0018","90","","101.326","0.001","90","","7898","1.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Cl N14 O23.11 Zn3 -","- C78 H78 Cl N14 O23.098 Zn3 -","- C312 H312 Cl4 N56 O92.392 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0864","0.06","","","0.1524","0.1673","","","","","","1.046","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246896","16.2967","0.0005","6.5799","0.0003","11.8991","0.0005","90","","126.545","0.003","90","","1025.08","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H8 B9 I N2 -","- C H8 B9 I N2 -","- C4 H32 B36 I4 N8 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.041","0.0345","","","0.0834","0.087","","","","","","1.083","","","","has coordinates","286112","2023-09-05","19:41:31",""
"7246897","6.4442","0.0005","8.1244","0.0007","10.6645","0.0008","85.078","0.005","82.012","0.005","74.701","0.003","532.62","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H15 B9 S -","- C3 H15 B9 S -","- C6 H30 B18 S2 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.1233","0.0995","","","0.288","0.3007","","","","","","1.234","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246898","9.9849","0.0002","14.325","0.0003","10.8831","0.0002","90","","102.415","0.001","90","","1520.25","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Cl2 N -","- C7 H16 B9 Cl2 N -","- C28 H64 B36 Cl8 N4 -","4","2","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0591","0.0482","","","0.1184","0.125","","","","","","1.04","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246899","10.1476","0.0004","10.8518","0.0005","13.7392","0.0006","90","","130.476","0.003","90","","1150.87","0.1","195","2","195","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 B9 N -","- C6 H14 B9 N -","- C24 H56 B36 N4 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0662","0.0564","","","0.1502","0.1613","","","","","","1.024","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246900","9.0602","0.0001","16.8803","0.0001","22.9672","0.0002","104.577","0.005","92.623","0.004","90.179","0.005","3395.56","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H110 B18 Br2 N10 -","- C46 H110 B18 Br2 N10 -","- C92 H220 B36 Br4 N20 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0754","0.0579","","","0.1417","0.1563","","","","","","1.022","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246901","25.773","0.0019","7.57","0.0003","19.9962","0.0011","90","","111.128","0.008","90","","3639","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C128 H144 O16 P8 S16 Tl8 -","8","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0996","0.1096","","","","","","0.828","","","","has coordinates","286111","2023-09-05","19:41:18",""
"7246902","10.5578","0.0007","8.6342","0.0004","19.878","0.0013","90","","101.343","0.006","90","","1776.65","0.19","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C64 H72 O8 P4 S8 Tl4 -","4","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0926","0.0576","","","0.126","0.1577","","","","","","0.99","","","","has coordinates","286111","2023-09-05","19:41:21",""
"7246903","11.6052","0.0007","15.1797","0.001","12.7681","0.0013","90","","116.773","0.003","90","","2008.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N2 O13 U -","- C12 H22 N2 O13 U -","- C48 H88 N8 O52 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0204","0.0187","","","0.0454","0.0464","","","","","","1.049","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246904","7.382","0.0005","23.3063","0.0018","8.5496","0.0007","90","","113.584","0.002","90","","1348.07","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O9 P U -","- C9 H13 O9 P U -","- C36 H52 O36 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0233","0.0224","","","0.0512","0.0516","","","","","","1.096","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246905","11.6822","0.0006","15.3912","0.0008","11.7959","0.0005","90","","115.56","0.0016","90","","1913.37","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O21 U2 -","- C22 H38 N8 O21 U2 -","- C44 H76 N16 O42 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0295","0.0292","","","0.0747","0.075","","","","","","1.04","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246906","12.4106","0.0007","17.241","0.0009","23.5189","0.0014","90","","102.782","0.002","90","","4907.7","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 N6 Ni O23 U2 -","- C40 H44 N6 Ni O23 U2 -","- C160 H176 N24 Ni4 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0927","0.0934","","","","","","1.069","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246907","11.3872","0.0004","11.5224","0.0004","12.7894","0.0005","114.797","0.0013","98.3735","0.0014","110.77","0.0013","1335.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0206","0.0186","","","0.0409","0.0417","","","","","","1.074","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246908","12.4847","0.0007","17.0888","0.0011","23.5455","0.0016","90","","103.131","0.002","90","","4892.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 Cu N6 O23 U2 -","- C40 H44 Cu N6 O23 U2 -","- C160 H176 Cu4 N24 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0296","0.0292","","","0.0704","0.0706","","","","","","1.044","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246909","11.4827","0.0004","14.2168","0.0005","17.799","0.0006","90","","92.2934","0.0015","90","","2903.31","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N O10 P U -","- C29 H30 N O10 P U -","- C116 H120 N4 O40 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0238","0.0206","","","0.0527","0.0554","","","","","","1.054","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246910","6.3646","0.0004","6.3135","0.0003","8.8975","0.0004","90","","110.334","0.006","90","","335.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","sodium vanadyl phosphate carbonate","trisodium vanadyl phosphate carbonate","","- C Na3 O8 P V -","- C Na3 O8 P V -","- C2 Na6 O16 P2 V2 -","2","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga","Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure","CrystEngComm","2023","25","28","4024","4032","10.1039/D3CE00323J","","","0.71073","MoKα","","0.0214","0.0204","","","0.0464","0.0468","","","","","","1.266","","","","has coordinates","286091","2023-09-05","19:36:15",""
"7246911","9.641","0.002","9.739","0.002","11.262","0.002","97.39","0.02","101.51","0.02","113.55","0.02","924","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C20 H40 N8 O20 P6 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0824","0.0426","","","0.1116","0.1255","","","","","","1.085","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246912","7.327","0.002","8.018","0.002","9.174","0.003","113.48","0.03","106.06","0.03","90.3","0.02","470.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C10 H20 N4 O12 P4 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0577","0.0536","","","0.1516","0.1579","","","","","","1.07","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246913","8.001","0.002","8.69","0.002","13.612","0.003","79.88","0.02","73.43","0.02","84.7","0.02","892.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0712","0.0666","","","0.194","0.1974","","","","","","1.118","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246914","12.014","0.002","13.556","0.002","12.259","0.002","90","","90","","90","","1996.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N6 O6 P2 -","- C15 H22 N6 O6 P2 -","- C60 H88 N24 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.029","0.0284","","","0.0751","0.0755","","","","","","1.046","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246915","12.0257","0.0013","14.6592","0.0014","12.1537","0.0011","90","","106.49","0.02","90","","2054.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 O14 P4 -","- C30 H48 N12 O14 P4 -","- C60 H96 N24 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0258","0.0253","","","0.0686","0.069","","","","","","1.056","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246916","10.6024","0.0014","13.234","0.002","13.848","0.002","73.1","0.02","81.56","0.02","81.96","0.02","1829.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C40 H80 N16 O40 P12 -","4","2","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0911","0.0455","","","0.1134","0.1282","","","","","","1.063","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246917","7.9325","0.0003","7.8534","0.0004","15.8599","0.0008","90","","99.753","0.002","90","","973.75","0.08","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","0.71073","MoKα","","0.0853","0.074","","","0.2023","0.2152","","","","","","1.07","","","","has coordinates","286098","2023-09-05","19:37:35",""
"7246918","7.9376","0.0008","7.9412","0.0008","15.8417","0.0018","93.49","0.009","100.212","0.008","92.313","0.008","979.59","0.18","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","1.54178","CuKα","","0.1449","0.105","","","0.291","0.3339","","","","","","1.111","","","","has coordinates,has disorder","286098","2023-09-05","19:37:35",""
"7246919","18.6359","0.0006","11.9828","0.0006","17.9652","0.0007","90","","103.225","0.003","90","","3905.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C140 H128 Cl8 Cu4 N32 O24 S16 -","2","0.25","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0641","0.0437","","","0.1027","0.1122","","","","","","1.042","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246920","8.0501","0.0001","12.563","0.0002","12.6704","0.0002","68.686","0.001","78.062","0.001","89.674","0.001","1164.54","0.03","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Ag F6 N4 P S2 -","- C19 H18 Ag F6 N4 P S2 -","- C38 H36 Ag2 F12 N8 P2 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0358","0.0293","","","0.0678","0.0705","","","","","","1.039","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246921","7.9319","0.0003","23.068","0.001","11.7359","0.0005","90","","91.872","0.002","90","","2146.21","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag Cl2 N4 O3 S2 -","- C18 H17 Ag Cl2 N4 O3 S2 -","- C72 H68 Ag4 Cl8 N16 O12 S8 -","4","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1231","0.1014","","","0.2508","0.2663","","","","","","1.029","","","","has coordinates","286090","2023-09-05","19:36:08",""
"7246922","9.8728","0.0008","10.2889","0.0009","10.9536","0.0009","80.721","0.005","87.251","0.005","73.377","0.004","1052.22","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 Ag Cl3 N3 O4 S2 -","- C18 H17 Ag Cl3 N3 O4 S2 -","- C36 H34 Ag2 Cl6 N6 O8 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1505","0.1429","","","0.4537","0.4768","","","","","","1.009","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246923","13.2718","0.0001","9.2515","0.0001","27.958","0.0002","90","","90.371","0.001","90","","3432.72","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","monoclinic","","- C40 H43 N3 O7 Zn -","- C40 H43 N3 O7 Zn -","- C160 H172 N12 O28 Zn4 -","4","1","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","x-ray","1.54178","CuKα","","0.0295","0.0294","","","0.0793","0.0793","","","","","","1.063","","","","has coordinates","286093","2023-09-05","19:36:45",""
"7246924","17.1162","0.001","6.8868","0.0004","25.8217","0.0015","90","","98.038","0.002","90","","3013.9","0.3","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoclinic","","- C34 H30 N2 O6 Zn -","- C34 H30 N2 O6 Zn -","- C136 H120 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.045","0.0356","","","0.0866","0.0907","","","","","","1.087","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246925","16.874","0.003","6.9253","0.0011","28.607","0.005","90","","91.96","0.01","90","","3341","1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N2 O6 Zn -","- C38 H36 N2 O6 Zn -","- C152 H144 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.0716","0.0609","","","0.1728","0.1815","","","","","","1.109","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246926","9.867","0.0005","12.0062","0.0007","13.1276","0.0006","115.459","0.005","93.033","0.004","91.808","0.004","1399.63","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0398","0.0378","","","0.1062","0.1086","","","","","","1.063","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246927","9.8663","0.0003","11.9838","0.0006","13.1236","0.0005","115.559","0.004","93.042","0.003","91.661","0.003","1395.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0346","0.0323","","","0.0934","0.097","","","","","","1.039","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246928","12.952","0.0009","13.4792","0.001","15.8481","0.0012","110.169","0.002","113.276","0.002","90.899","0.003","2348.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33.52 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N2 -","- C56 H136 Cl24 Mn4 N8 -","4","2","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1144","0.078","","","0.1954","0.2177","","","","","","1.052","","","","has coordinates,has disorder","286116","2023-09-05","19:42:37",""
"7246929","9.2031","0.0009","9.2031","0.0009","14.662","0.002","90","","90","","90","","1241.8","0.2","340","","340","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H34 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N -","- C28 H68 Cl12 Mn2 N2 -","2","0.125","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1212","0.0898","","","0.3186","0.3564","","","","","","1.4","","","","has coordinates,has disorder","286116","2023-09-05","19:42:38",""
"7246930","37.455","0.0014","36.5541","0.0014","11.0255","0.0002","90","","90","","90","","15095.4","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C112 H84 Mn4 N16 O26 -","- C112 H84 Mn4 N16 O26 -","- C448 H336 Mn16 N64 O104 -","4","0.5","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.135","0.0883","","","0.2529","0.2972","","","","","","0.994","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246931","11.4539","0.0013","25.379","0.002","10.1811","0.0007","90","","99.143","0.009","90","","2921.9","0.5","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N4 O4 -","- C28 H16 Mn N4 O4 -","- C112 H64 Mn4 N16 O16 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.1517","0.0925","","","0.1925","0.2189","","","","","","1.042","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246932","33.5391","0.0018","13.3893","0.0012","12.2796","0.0006","90","","98.383","0.005","90","","5455.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N2 O11 Zn2 -","- C50 H34 N2 O11 Zn2 -","- C200 H136 N8 O44 Zn8 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","","1.54184","CuKα","","0.2494","0.1876","","","0.4432","0.4805","","","","","","1.199","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246933","9.5646","0.0011","3.7993","0.0005","13.5636","0.0017","90","","106.084","0.013","90","","473.59","0.11","113.15","","113.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1842","","","","","","1.049","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246934","7.1188","0.0014","18.663","0.004","7.959","0.0016","90","","106.09","0.03","90","","1016","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dicarbomethoxyaniline;3-benzenedicarboxylicacid,5-amino-dimethylester;5-Amino-1,3-isophthalic","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0752","0.053","","","0.1588","0.1765","","","","","","1.008","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246935","9.3469","0.0004","9.976","0.0004","17.9902","0.0008","79.743","0.001","86.729","0.001","67.295","0.001","1522.64","0.11","189","2","189","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 O11.5 Zn2 -","- C29 H29 N2 O11.5 Zn2 -","- C58 H58 N4 O23 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","0.71073","MoKα","","0.0529","0.0463","","","0.1282","0.1335","","","","","","1.027","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246936","9.1845","0.0003","9.9874","0.0003","18.5249","0.0005","79.721","0.002","86.064","0.002","68.155","0.003","1551.94","0.09","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.8 N2 O10.9 Zn2 -","- C29 H27.8 N2 O10.9 Zn2 -","- C58 H55.6 N4 O21.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0984","0.077","","","0.2216","0.2374","","","","","","1.052","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246937","9.351","0.0002","9.9976","0.0002","18.0428","0.0004","80.1","0.002","87.289","0.002","67.583","0.002","1535.78","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.8 N2 O11.9 Zn2 -","- C29 H29.8 N2 O11.9 Zn2 -","- C58 H59.6 N4 O23.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0579","0.0534","","","0.1397","0.1435","","","","","","1.029","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246938","8.717","0.001","9.9589","0.0012","19.6815","0.0014","78.835","0.009","84.141","0.009","69.71","0.011","1571.1","0.3","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.7 N2 O10.85 Zn2 -","- C29 H27.7 N2 O10.85 Zn2 -","- C58 H55.4 N4 O21.7 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.1166","0.089","","","0.2524","0.3068","","","","","","1.175","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246939","5.2503","0.0005","16.2082","0.0013","12.1305","0.0019","90","","99.976","0.013","90","","1016.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C44 H48 F4 N4 O8 -","4","1","","Hu, Fangzhi; Sun, Zhipeng; Pan, Mengzhe; Wang, Liang; Xu, Lubin; Liu, Xiong-Li; Li, Shuai-Shuai","Divergent synthesis of nitrogen heterocycles via H2O-mediated hydride transfer reactions","Green Chemistry","2023","25","13","5134","5141","10.1039/D3GC00166K","","","1.54184","CuKα","","0.1142","0.0665","","","0.1672","0.2021","","","","","","1.031","","","","has coordinates","286143","2023-09-05","19:57:34",""
"7246940","7.6044","0.0005","9.6671","0.0006","31.908","0.002","90","","90","","90","","2345.6","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","","Fu, Yun-Dong; Gao, Xiang; Jia, Shi-Kun; Xiao, Xiao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian","Catalyst-free racemic and H2O/CPA-catalyzed asymmetric regio-reversed domino processes of triketone enones with azlactones","Green Chemistry","2023","25","14","5692","5697","10.1039/D3GC01445B","","x-ray","1.34139","GaKα","","0.0623","0.0521","","","0.1154","0.1214","","","","","","1.091","","","","has coordinates,has disorder","286147","2023-09-05","19:58:08",""
"7246941","24.16","0.0005","14.7868","0.0003","33.2539","0.0011","90","","103.708","0.003","90","","11541.5","0.5","109.3","0.8","109.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","Boc-L-Pro-Mn-Anderson","","- C81 H161.5 Mn Mo6 N9.5 O30 -","- C81 H161.5 Mn Mo6 N9.5 O30 -","- C324 H646 Mn4 Mo24 N38 O120 -","4","2","","Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge","A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles","Green Chemistry","2023","25","16","6263","6269","10.1039/D3GC00951C","","x-ray","1.54184","CuKα","","0.1161","0.0872","","","0.2165","0.2342","","","","","","1.042","","","","has coordinates,has disorder","286140","2023-09-05","19:57:05",""
"7246942","33.5555","0.0004","30.4959","0.0004","9.33799","0.00009","90","","90","","90","","9555.61","0.19","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","L-Pro-Mn-Anderson","","- C46 H106 Mn Mo7.5 N4 O44 S14 -","- C40 H98 Mn Mo7.5 N4 O41 S11 -","- C160 H392 Mn4 Mo30 N16 O164 S44 -","4","1","","Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge","A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles","Green Chemistry","2023","25","16","6263","6269","10.1039/D3GC00951C","","x-ray","1.54184","CuKα","","0.0533","0.0482","","","0.1165","0.1195","","","","","","1.043","","","","has coordinates,has disorder","286140","2023-09-05","19:57:05",""
"7246943","11.111","0.0007","7.3567","0.0004","13.9127","0.0008","90","","98.039","0.003","90","","1126.05","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Sood, Ankur; Kesavan, Venkitasamy","Synthesis and antibacterial activity of 2-benzylidene-3-oxobutanamide derivatives against resistant pathogens","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00051F","","","1.54178","CuKα","","0.0445","0.0388","","","0.1097","0.1186","","","","","","1.047","","","","has coordinates","284638","2023-06-29","12:15:56",""
"7246944","25.526","0.006","5.3037","0.0018","23.743","0.006","90","","116.39","0.009","90","","2879.4","1.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C168 H104 N8 O16 -","4","0.5","","Sosorev, Andrey Yu; Ponomarev, Igor I.; Dominskiy, Dmitry I.; Lyssenko, Konstantin A.; Parashchuk, Olga D.; Trukhanov, Vasily A.; Konstantinov, Vladislav G.; Dubinets, Nikita O.; Paraschuk, Dmitry Yu","Structure and properties of naphthalene-diimide <i>N</i>-functionalized with stilbene.","Physical chemistry chemical physics : PCCP","2023","25","29","19562","19575","10.1039/d3cp01582c","","","0.71073","MoKα","","0.0829","0.0596","","","0.1479","0.1677","","","","","","1.029","","","","has coordinates","285527","2023-08-05","09:35:33",""
"7246945","9.2609","0.0001","10.8518","0.0002","11.3998","0.0002","73.331","0.001","86.722","0.001","83.724","0.001","1090.53","0.03","170","2","170.01","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 F3 -","- C30 H21 F3 -","- C60 H42 F6 -","2","1","","Wei, Dong; Lu, Han-Yu; Miao, Han-Zhe; Feng, Chen-Guo; Lin, Guo-Qiang; Liu, Yingbin","Pd-catalyzed intermolecular consecutive double Heck reaction ""on water"" under air: facile synthesis of substituted indenes.","RSC advances","2023","13","28","19312","19316","10.1039/d3ra03510g","","","1.34139","GaKα","","0.0526","0.046","","","0.1137","0.1194","","","","","","1.031","","","","has coordinates","284675","2023-06-29","14:37:41",""
"7246946","11.8078","0.0005","6.2764","0.0003","15.6415","0.0006","90","","109.362","0.001","90","","1093.64","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C48 H44 Cl2 N6 O6 -","2","1","","Jiaping, Jin; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng","Chiral spirocyclic phosphoric acid-catalyzed enantioselective synthesis of heterotriarylmethanes bearing an amino acid moiety.","RSC advances","2023","13","27","18964","18973","10.1039/d3ra03480a","","","0.71073","MoKα","","0.0483","0.0396","","","0.0847","0.0898","","","","","","1.08","","","","has coordinates","284676","2023-06-29","14:38:32",""
"7246947","13.2771","0.0017","13.848","0.0018","15.682","0.002","67.397","0.005","68.276","0.005","78.741","0.005","2468.1","0.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H89 B2 N Ni P2 -","- C49 H89 B2 N Ni P2 -","- C98 H178 B4 N2 Ni2 P4 -","2","1","","Austen, Brady J. H.; Clapson, Marissa L.; Drover, Marcus W.","Reactions of nickel boranyl compounds with pnictogen-carbon triple bonds.","RSC advances","2023","13","28","19158","19163","10.1039/d3ra02797j","","","0.71073","MoKα","","0.0534","0.0419","","","0.1124","0.126","","","","","","1.11","","","","has coordinates","284677","2023-06-29","14:39:47",""
"7246948","13.4649","0.0006","17.1481","0.0008","13.2881","0.0006","90","","96.195","0.0006","90","","3050.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Cl10 N6 O Pb2 -","- C12 H38 Cl10 N6 O Pb2 -","- C48 H152 Cl40 N24 O4 Pb8 -","4","1","","Zhang, Jie; Sun, Kai-Qi; Zhang, Zhong-Hui; Wang, Ri-Cheng; Lin, Zi-Han; Lei, Xiao-Wu; Wang, Yu-Yin; Ju, Ping; He, Yuan-Chun","Enhanced stability and tunable photoluminescence in Mn<sup>2+</sup>-doped one-dimensional hybrid lead halide perovskites for high-performance white light emitting diodes.","RSC advances","2023","13","28","19039","19045","10.1039/d3ra02813e","","","0.71073","MoKα","","0.0322","0.0234","","","0.0488","0.0511","","","","","","1.029","","","","has coordinates","284678","2023-06-29","14:40:47",""
"7246949","14.312","0.016","8.755","0.01","25.39","0.03","90","","95.79","0.02","90","","3165","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Ag N16 -","- C30 H19 Ag N16 -","- C120 H76 Ag4 N64 -","4","1","","Kang, Hai-Peng; Zhou, Han-Chen; Tang, Xiong; Liu, Chang; Li, Yong-Hua; Zhang, Hao-Zhe; Su, Jian; Ferbinteanu, Marilena; Wu, Hua-Yu; Wang, Shi","An AIE-active tetraphenylethene functionalized silver-tetrazolate coordination polymer for selective fluorescence sensing of explosives","CrystEngComm","2023","25","29","4231","4237","10.1039/D3CE00598D","","","0.71073","MoKα","","0.1042","0.0514","","","0.1132","0.1477","","","","","","1.05","","","","has coordinates","286083","2023-09-05","19:32:51",""
"7246950","12.4459","0.0002","27.609","0.0004","4.7734","0.0001","90","","90","","90","","1640.23","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 F N O -","- C23 H16 F N O -","- C92 H64 F4 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0313","0.0299","","","0.0786","0.0794","","","","","","1.065","","","","has coordinates","286149","2023-09-05","19:58:36",""
"7246951","4.8075","0.0001","27.2149","0.0004","12.4496","0.0002","90","","92.523","0.001","90","","1627.27","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0454","0.0402","","","0.0932","0.0957","","","","","","1.062","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246952","6.3822","0.0004","10.211","0.0008","11.3886","0.0012","84.533","0.007","89.069","0.007","74.931","0.006","713.37","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O -","- C20 H16 O -","- C40 H32 O2 -","2","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.1453","0.1351","","","0.3868","0.3906","","","","","","1.171","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246953","12.0444","0.0009","5.6218","0.0003","27.7622","0.0017","90","","99.864","0.007","90","","1852","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","0.71073","MoKα","","0.127","0.053","","","0.0972","0.1166","","","","","","0.992","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246954","13.198","0.0002","5.6188","0.0001","18.6771","0.0003","90","","97.268","0.001","90","","1373.91","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0607","0.0564","","","0.152","0.1564","","","","","","1.025","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246955","5.6809","0.0002","13.8095","0.0005","21.8999","0.0009","90","","91.229","0.003","90","","1717.66","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F N O -","- C24 H18 F N O -","- C96 H72 F4 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.1488","0.1448","","","0.4312","0.4329","","","","","","1.091","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246956","19.3497","0.0007","7.1784","0.0002","12.8947","0.0005","90","","103.665","0.004","90","","1740.37","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0509","0.0446","","","0.1391","0.1443","","","","","","1.096","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246957","7.6458","0.0002","6.1433","0.0001","66.279","0.002","90","","91.529","0.002","90","","3112.05","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","2","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.1323","0.1298","","","0.348","0.3493","","","","","","1.09","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246958","5.4064","0.0001","9.6437","0.0001","36.2282","0.0005","90","","90","","90","","1888.86","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0311","0.0293","","","0.0739","0.0751","","","","","","1.029","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246959","13.5903","0.0013","6.6575","0.0006","13.8833","0.0013","90","","100.193","0.001","90","","1236.3","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,6R,7R,E)-7-((4-bromobenzoyl)oxy)-6-methoxy-7-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-4-ene-2,3-diyl diacetate","","- C24 H27 Br O9 -","- C24 H27 Br O9 -","- C48 H54 Br2 O18 -","2","1","","Elshamy, Abdelsamed I.; Mohamed, Tarik A.; Swapana, Ningombam; Kasai, Yusuke; Noji, Masaaki; Efferth, Thomas; Imagawa, Hiroshi; Hegazy, Mohamed-Elamir F.; Umeyama, Akemi","Ternifolipyrons A–J: new cytotoxic α-pyrones from Isodon ternifolius (D. Don) Kudô","RSC Advances","2023","13","29","19710","19720","10.1039/D3RA03146B","","","0.71073","MoKα","","0.0284","0.0251","","","0.0582","0.0592","","","","","","0.937","","","","has coordinates","284725","2023-06-30","01:13:58",""
"7246960","8.8648","0.0006","4.5145","0.0004","16.948","0.0016","90","","97.83","0.008","90","","671.94","0.1","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2A","","- C7 H5 N S -","- C7 H5 N S -","- C28 H20 N4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.094","0.0893","","","0.2264","0.2285","","","","","","1.243","","","","has coordinates","285529","2023-08-05","09:35:48",""
"7246961","7.23","0.0004","7.9881","0.0004","8.7762","0.0005","90","","91.799","0.003","90","","506.61","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1B","","- C5 H4 O S -","- C5 H4 O S -","- C20 H16 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0449","0.0375","","","0.094","0.0983","","","","","","1.06","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246962","5.5255","0.0001","5.9089","0.0001","16.0342","0.0004","90","","90","","90","","523.511","0.018","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1A","","- C5 H4 O S -","- C5 H4 O S -","- C20 H16 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0315","0.0311","","","0.0881","0.0886","","","","","","1.112","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246963","13.2687","0.0004","7.8122","0.0002","8.0302","0.0002","90","","91.369","0.002","90","","832.15","0.04","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2B","","- C8 H4 F3 N S -","- C8 H4 F3 N S -","- C32 H16 F12 N4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0448","0.0337","","","0.0773","0.0837","","","","","","1.033","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246964","4.1013","0.0002","8.5014","0.0003","17.1726","0.0006","90","","90.856","0.002","90","","598.69","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1C","","- C5 H3 Br O S -","- C5 H3 Br O S -","- C20 H12 Br4 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0295","0.0235","","","0.0468","0.0489","","","","","","1.068","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246965","10.45569","0.00014","19.7033","0.0004","13.0905","0.0002","90","","100.125","0.0014","90","","2654.8","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H19 B F4 Mo O2 S2 -","- C13 H19 B F4 Mo O2 S2 -","- C78 H114 B6 F24 Mo6 O12 S12 -","6","3","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0991","0.1003","","","","","","1.064","","","","has coordinates,has disorder","284738","2023-07-01","01:08:09",""
"7246966","8.2411","0.0001","12.0733","0.0002","18.5383","0.0003","90","","94.878","0.001","90","","1837.83","0.05","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 B F4 Mo O2 S2 -","- C15 H21 B F4 Mo O2 S2 -","- C60 H84 B4 F16 Mo4 O8 S8 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0252","0.0239","","","0.0592","0.0599","","","","","","1.049","","","","has coordinates","284738","2023-07-01","01:08:09",""
"7246967","10.8954","0.0001","10.3231","0.0001","14.5137","0.0001","90","","90.398","0.001","90","","1632.38","0.02","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 Mo N2 O5 S -","- C12 H11 F3 Mo N2 O5 S -","- C48 H44 F12 Mo4 N8 O20 S4 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0165","0.0157","","","0.0399","0.0403","","","","","","1.067","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246968","13.2549","0.0006","14.9295","0.0008","16.5899","0.0008","90","","90","","90","","3283","0.3","150","2","150","2","","","","","","","synthesized by the authors","7","P b c n","-P 2n 2ab","60","","","","- C11 H17 B F4 Mo O2 S2 -","- C11 H17 B F4 Mo O2 S2 -","- C88 H136 B8 F32 Mo8 O16 S16 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.0508","0.0458","","","0.1052","0.1085","","","","","","1.08","","","","has coordinates,has disorder","284738","2023-07-01","01:08:10",""
"7246969","14.4687","0.0006","9.4064","0.0004","12.9891","0.0006","90","","108.546","0.002","90","","1675.99","0.13","150","2","150","2","","","","","","","synthesized by the authors","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 B F4 Mo N O2 S -","- C13 H16 B F4 Mo N O2 S -","- C52 H64 B4 F16 Mo4 N4 O8 S4 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.033","0.0298","","","0.0722","0.0744","","","","","","1.086","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246970","7.4092","0.0001","17.2813","0.0001","16.2089","0.0001","90","","99.937","0.001","90","","2044.26","0.03","99.99","0.1","99.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H22 B Cl F4 Mo O3 S2 -","- C15.5 H22 B Cl F4 Mo O3 S2 -","- C62 H88 B4 Cl4 F16 Mo4 O12 S8 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0368","0.0363","","","0.0843","0.0845","","","","","","1.274","","","","has coordinates,has disorder","284738","2023-07-01","01:08:10",""
"7246971","13.9423","0.0001","12.2959","0.0001","23.7796","0.0002","90","","105.945","0.001","90","","3919.77","0.06","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H19 B F4 Mo O2 S2 -","- C17 H19 B F4 Mo O2 S2 -","- C136 H152 B8 F32 Mo8 O16 S16 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0196","0.0195","","","0.0519","0.0519","","","","","","1.076","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246972","20.4942","0.0007","12.2026","0.0004","15.1267","0.0004","90","","90","","90","","3782.9","0.2","120","2","120","2","","","","","","","synthesized by the authors","7","P b c n","-P 2n 2ab","60","","","","- C18 H19 B F4 O2 S W -","- C18 H19 B F4 O2 S W -","- C144 H152 B8 F32 O16 S8 W8 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.0227","0.0218","","","0.0515","0.052","","","","","","1.09","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246973","18.3848","0.0002","34.2944","0.0004","18.6956","0.0002","90","","96.282","0.001","90","","11716.7","0.2","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C228 H234 Ag10 Cu16 F24 O19 P4 S16 -","- C216 H204 Ag10 Cu16 F24 O16 P4 S16 -","- C432 H408 Ag20 Cu32 F48 O32 P8 S32 -","2","0.5","","Sun, Xueli; Li, Simin; Tian, Guolong; Gao, Yanli; Wei, Jianyu; Shen, Hui","Ag<sub>10</sub>Cu<sub>16</sub> nanoclusters with triple-ligand protection: total structure and electronic structure analysis.","Physical chemistry chemical physics : PCCP","2023","25","27","17901","17906","10.1039/d3cp02227g","","x-ray","1.54184","CuKα","","0.0986","0.0825","","","0.2456","0.2587","","","","","","1.076","","","","has coordinates,has disorder","285531","2023-08-05","09:36:11",""
"7246974","4.9864","0.0005","10.0378","0.0011","10.0982","0.0011","72.982","0.005","83.424","0.006","79.174","0.005","473.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)-kgd-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0815","0.0779","","","0.2047","0.2172","","","","","","1.111","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246975","4.9218","0.0002","18.328","0.0007","10.9159","0.0005","90","","97.893","0.002","90","","975.36","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C40 H28 Cd2 N8 O16 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0773","0.0757","","","0.1779","0.1785","","","","","","1.323","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246976","5.0968","0.0001","18.2442","0.0003","15.0256","0.0003","90","","96.058","0.001","90","","1389.38","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-alpha","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]","","- C26 H28 Cd N6 O10 -","- C26 H28 Cd N6 O10 -","- C52 H56 Cd2 N12 O20 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.032","0.031","","","0.079","0.0798","","","","","","1.127","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246977","5.0173","0.0001","9.6508","0.0003","11.4756","0.0003","82.357","0.001","79.568","0.001","80.006","0.001","535.21","0.02","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)2-kgd-open","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0409","0.0407","","","0.1063","0.1082","","","","","","1.054","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246978","25.238","0.005","4.988","0.001","25.694","0.005","90","","116.13","0.03","90","","2904","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35.28 N5 O10.14 -","- C29 H35 N5 O10.1415 -","- C116 H140 N20 O40.566 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.6199","Synchrotron","","0.1584","0.0788","","","0.1902","0.2322","","","","","","1.015","","","","has coordinates,has disorder","286100","2023-09-05","19:38:03",""
"7246979","9.475","0.002","11.269","0.002","17.688","0.004","81.39","0.03","79.74","0.03","78.24","0.03","1806.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H43 F1.5 N5 Na0.5 O13 -","- C30 H37 F1.5 N5 Na0.5 O13 -","- C60 H74 F3 N10 Na O26 -","2","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1253","0.0856","","","0.2237","0.2516","","","","","","1.007","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246980","31.544","0.006","9.474","0.002","15.431","0.003","90","","92.44","0.03","90","","4607.3","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H51 F3 N7 O16.25 -","- C36 H42 F3 N7 O16.5 -","- C144 H168 F12 N28 O66 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.7","Synchrotron","","0.2494","0.133","","","0.2853","0.3484","","","","","","1.072","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246981","9.724","0.002","33.662","0.007","9.966","0.002","90","","90.87","0.03","90","","3261.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N5 O11 -","- C31 H45 N5 O11 -","- C124 H180 N20 O44 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1172","0.0645","","","0.1616","0.1898","","","","","","1.006","","","","has coordinates","286100","2023-09-05","19:38:04",""
"7246982","9.5155","0.0005","20.4042","0.001","27.4702","0.0015","90","","97.945","0.002","90","","5282.3","0.5","251","","251","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Co N12 O6 -","- C63 H48 Co N12 O6 -","- C252 H192 Co4 N48 O24 -","4","1","","Luo, Rong; Xu, Cun-Gang; Yu, Hai-Jun; Wu, Rui-Xue; Lu, Peng; Fan, Yu-Hua; Shao, Feng","A novel Co(ii)-based MOF with selective fluorescence as a turn-on sensor for biomarker methylmalonic acid","CrystEngComm","2023","25","29","4120","4125","10.1039/D3CE00576C","","","0.71073","MoKα","","0.0834","0.045","","","0.1039","0.1278","","","","","","1.02","","","","has coordinates","286085","2023-09-05","19:34:57",""
"7246983","5.214","0.0002","23.4393","0.0008","25.016","0.0009","90","","90","","90","","3057.27","0.19","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3,3',4'-tetramethoxy-trans-stilbene","(E)-1-(3,4-dimethoxystyryl)-2,3-dimethoxybenzene","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan","Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent.","Physical chemistry chemical physics : PCCP","2023","25","27","18481","18494","10.1039/d3cp01747h","","x-ray","0.71073","MoKα","","0.0581","0.044","","","0.1121","0.125","","","","","","1.024","","","","has coordinates","285530","2023-08-05","09:36:01",""
"7246984","8.8538","0.0005","19.1183","0.001","17.5365","0.0008","90","","93.149","0.002","90","","2963.9","0.3","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl4 Co F6 N6 O3 P -","- C23 H22 Cl4 Co F6 N6 O3 P -","- C92 H88 Cl16 Co4 F24 N24 O12 P4 -","4","1","","Moledo Vicente Guedes, Anderson; Sodré de Abreu, Leandro; Maldonado, Igor Antunes Vogel; Fernandes, William Silva; Cardozo, Thiago Messias; A. Allão Cassaro, Rafael; Scarpellini, Marciela; Poneti, Giordano","Valence tautomerism in a cobalt–dioxolene complex containing an imidazolic ancillary ligand","RSC Advances","2023","13","29","20050","20057","10.1039/D3RA03235C","","","0.71073","MoKα","","0.0511","0.0385","","","0.0882","0.0968","","","","","","1.072","","","","has coordinates,has disorder","284804","2023-07-05","01:29:11",""
"7246985","12.945","0.004","15.221","0.005","22.683","0.01","90","","100.93","0.02","90","","4388","3","132.05","","132.05","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 Co F6 N6 O8 P -","- C31 H42 Co F6 N6 O2 P -","- C124 H168 Co4 F24 N24 O8 P4 -","4","1","","Moledo Vicente Guedes, Anderson; Sodré de Abreu, Leandro; Maldonado, Igor Antunes Vogel; Fernandes, William Silva; Cardozo, Thiago Messias; A. Allão Cassaro, Rafael; Scarpellini, Marciela; Poneti, Giordano","Valence tautomerism in a cobalt–dioxolene complex containing an imidazolic ancillary ligand","RSC Advances","2023","13","29","20050","20057","10.1039/D3RA03235C","","","0.71073","MoKα","","0.1598","0.1015","","","0.2878","0.3425","","","","","","1.0241","","","","has coordinates,has disorder","284804","2023-07-05","01:29:12",""
"7246986","7.2502","0.0008","9.0739","0.0011","12.1019","0.001","100.594","0.009","94.574","0.008","95.976","0.01","774.34","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C40 H30 N2 O4 -","2","1","","Nowak, Patryk; Sikorski, Artur","Structural diversity of cocrystals formed from acridine and two isomers of hydroxybenzaldehyde: 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde","RSC Advances","2023","13","29","20105","20112","10.1039/D3RA02300A","","","0.71073","MoKα","","0.0782","0.0511","","","0.1207","0.1449","","","","","","1.026","","","","has coordinates","284805","2023-07-05","01:30:07",""
"7246987","11.5433","0.0008","10.6297","0.001","12.9034","0.0012","90","","96.365","0.009","90","","1573.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Nowak, Patryk; Sikorski, Artur","Structural diversity of cocrystals formed from acridine and two isomers of hydroxybenzaldehyde: 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde","RSC Advances","2023","13","29","20105","20112","10.1039/D3RA02300A","","","0.71073","MoKα","","0.1411","0.0791","","","0.1635","0.1971","","","","","","1.073","","","","has coordinates","284805","2023-07-05","01:30:21",""
"7246988","13.2752","0.0002","25.1602","0.0004","11.1166","0.0002","90","","104.256","0.001","90","","3598.68","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cu N6 O8 -","- C42 H32 Cu N6 O8 -","- C168 H128 Cu4 N24 O32 -","4","1","","Chettri, Sailesh; Tamang, Sumiran; Pradhan, Kiran; Sinha, Biswajit; Brahman, Dhiraj","Copper borate (CuB4O7)-promoted multi-component green synthesis of 2,4,5-triarylimidazole derivatives and evidence of in situ conversion of copper borate (CuB4O7) into Cu(OAc)2 in the presence of NH4OAc","RSC Advances","2023","13","29","19846","19855","10.1039/D3RA03183G","","","1.54178","CuKα","","0.0549","0.0468","","","0.1221","0.1283","","","","","","1.049","","","","has coordinates","284806","2023-07-05","01:30:59",""
"7246989","6.703","0.0004","9.0452","0.0006","15.009","0.0009","90","","93.234","0.002","90","","908.55","0.1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Zhao, Zhen-Zhu; Zhang, Fei; Ji, Bao-Yu; Zhou, Ning; Chen, Hui; Sun, Yan-Jun; Feng, Wei-Sheng; Zheng, Xiao-Ke","Pyrrole alkaloids from the fruiting bodies of edible mushroom <i>Lentinula edodes</i>.","RSC advances","2023","13","27","18223","18228","10.1039/d3ra02672h","","","1.54178","CuKα","","0.0407","0.0397","","","0.1095","0.1107","","","","","","1.056","","","","has coordinates","284815","2023-07-05","06:05:38",""
"7246990","8.8388","0.0003","21.2913","0.0005","10.8389","0.0004","90","","91.297","0.003","90","","2039.25","0.11","95","0.4","95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N O5 -","- C24 H22 N O5 -","- C96 H88 N4 O20 -","4","1","","Nasuhipur, Forough; Ghasemi, Zarrin; Poupon, Morgane; Dušek, Michal","POCl<sub>3</sub> mediated one-pot deoxygenative aromatization and electrophilic chlorination of dihydroxy-2-methyl-4-oxo-indeno[1,2-<i>b</i>]pyrroles.","RSC advances","2023","13","26","17812","17816","10.1039/d3ra02515b","","x-ray","1.54184","CuKα","","0.0869","0.0757","","","0.2459","0.2472","","","","4.3015","4.3015","3.776","","","","has coordinates","284816","2023-07-05","06:06:07",""
"7246991","8.5156","0.0016","7.2615","0.0015","20.971","0.004","90","","93.424","0.009","90","","1294.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-amine","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Naseem, Saira; Temirak, Ahmed; Imran, Aqeel; Jalil, Saquib; Fatima, Shamool; Taslimi, Parham; Iqbal, Jamshed; Tasleem, Mussarat; Tahir, Muhammad Nawaz; Shafiq, Zahid","Therapeutic potential of 1,3,4-oxadiazoles as potential lead compounds for the treatment of Alzheimer's disease.","RSC advances","2023","13","26","17526","17535","10.1039/d3ra01953e","","","0.71073","MoKα","","0.0699","0.0545","","","0.147","0.16","","","","","","1.046","","","","has coordinates","284817","2023-07-05","06:06:32",""
"7246992","5.2375","0.0005","18.6453","0.0012","17.8444","0.0013","90","","90.182","0.008","90","","1742.6","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Kumar, Vijay; Singh, Praval Pratap; Dwivedi, Ashish Ranjan; Kumar, Naveen; Kumar, Rajesh; Chandra Sahoo, Subash; Chakraborty, Sudip; Kumar, Vinod","Caesium carbonate promoted regioselective <i>O</i>-functionalization of 4,6-diphenylpyrimidin-2(1<i>H</i>)-ones under mild conditions and mechanistic insight.","RSC advances","2023","13","25","16899","16906","10.1039/d3ra00773a","","x-ray","0.71073","MoKα","","0.1914","0.0636","","","0.1278","0.1764","","","","","","0.9745","","","","has coordinates","284818","2023-07-05","06:08:05",""
"7246993","26.155","0.009","6.9777","0.0018","30.372","0.014","90","","100.04","0.04","90","","5458","4","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H32 Cl N3 O3 -","- C32 H32 Cl N3 O3 -","- C256 H256 Cl8 N24 O24 -","8","2","","Tajik, Maryam; Shiri, Morteza; Hussain, Faiq H. S.; Lotfi Nosood, Yazdanbakhsh; Baeiszadeh, Behnaz; Amini, Zahra; Bikas, Rahman; Pyra, Anna","Highly regioselective and diastereoselective synthesis of novel pyrazinoindolones <i>via</i> a base-mediated Ugi-<i>N</i>-alkylation sequence.","RSC advances","2023","13","25","16963","16969","10.1039/d3ra02065g","","x-ray","1.54184","CuKα","","0.1308","0.0888","","","0.2463","0.278","","","","","","1.057","","","","has coordinates,has disorder","284819","2023-07-05","06:08:31",""
"7246994","13.4433","0.0011","13.4433","0.0011","7.1126","0.0011","90","","90","","90","","1285.4","0.2","300","","300","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C8 H6 N4 Ni O2 -","- C8 H6 N4 Ni O2 -","- C32 H24 N16 Ni4 O8 -","4","0.25","","Huang, Hengcong; Gu, Yifan; Wang, Luyao; Jia, Tao; Kitagawa, Susumu; Li, Fengting","A scalable stable porous coordination polymer synthesized from low-cost precursors for efficient C2H2/C2H4 separation","Green Chemistry","2023","25","20","8040","8046","10.1039/D3GC01114C","","x-ray","1.34139","GaKα","","0.0446","0.0371","","","0.1027","0.1057","","","","","","1.107","","","","has coordinates,has disorder","287354","2023-11-06","07:43:28",""
"7246995","27.449","0.006","5.9185","0.0012","7.8408","0.0017","90","","90","","90","","1273.8","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","3BTHMB","3BTHMB","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Bhattacharyya, Arghyadeep; Bhakta, Viki; Guchhait, Nikhil","Structural isomerism induces pH dependent AIE-coupled ESIPT: an in-depth spectroscopic exploration with application in amine vapor sensing.","Physical chemistry chemical physics : PCCP","2023","25","26","17482","17495","10.1039/d3cp01703f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0882","0.0908","","","","","","1.006","","","","has coordinates","285016","2023-07-06","01:00:33",""
"7246996","8.07743","0.0001","8.07743","0.0001","23.4262","0.0003","90","","90","","120","","1323.67","0.03","293","2","293","2","","","","","","","no","4","P 3 1 c","P 3 -2c","159","iodate","Cesium Tantale Iodate","","- Cs3 I8 O24 Ta -","- Cs3 I8 O24 Ta -","- Cs6 I16 O48 Ta2 -","2","0.333333","","Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.","New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction","CrystEngComm","2023","25","30","4364","4369","10.1039/D3CE00461A","","","0.71073","MoKα","","0.0384","0.0361","","","0.0873","0.089","","","","","","1.133","","","","has coordinates","286115","2023-09-05","19:42:24",""
"7246997","9.5399","0.0011","8.8744","0.0011","10.5124","0.0014","90","","116.97","0.005","90","","793.2","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H2 N6 O6 -","- C3 H2 N6 O6 -","- C12 H8 N24 O24 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0408","0.0306","","","0.064","0.0672","","","","","","1.071","","","","has coordinates","285532","2023-08-05","09:36:35",""
"7246998","7.0555","0.0007","12.4013","0.0014","9.011","0.001","90","","102.052","0.003","90","","771.06","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 N6 O6 -","- C3 H2 N6 O6 -","- C12 H8 N24 O24 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0553","0.0406","","","0.094","0.1035","","","","","","1.043","","","","has coordinates,has disorder","285532","2023-08-05","09:36:36",""
"7246999","4.882","0.0005","10.0306","0.001","8.9963","0.0009","90","","95.203","0.004","90","","438.73","0.08","170","","170","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C3 H5 N7 O7 -","- C3 H5 N7 O7 -","- C6 H10 N14 O14 -","2","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0607","0.0397","","","0.0794","0.0925","","","","","","1.101","","","","has coordinates","285532","2023-08-05","09:36:36",""
"7247000","6.4647","0.0007","15.866","0.002","10.027","0.0011","90","","96.745","0.004","90","","1021.3","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N7 O8 -","- C3 H7 N7 O8 -","- C12 H28 N28 O32 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.1062","0.0554","","","0.1102","0.1382","","","","","","1.008","","","","has coordinates","285532","2023-08-05","09:36:36",""
"7247001","8.7734","0.0003","10.412","0.0003","14.03","0.0005","90","","97.502","0.001","90","","1270.65","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thiadiazol","'2,3-diphenyl-1,3,4-thiadiazol-3-ium-5-thiolate'","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C56 H40 N8 S8 -","4","1","","Lima, Priscila S. V.; Weimer, Gustavo H.; Oliveira, Leonardo P.; Souza, Helivaldo D. S.; Fiss, Gabriela F.; Bonacorso, Helio G.; Martins, Marcos A. P.","Mesoionic compounds: the role of intermolecular interactions in their crystalline design","CrystEngComm","2023","25","35","4976","4991","10.1039/D3CE00554B","","x-ray","1.54178","CuKα","","0.0364","0.0339","","","0.0903","0.0922","","","","","","1.049","","","","has coordinates","286743","2023-10-06","00:07:38",""
"7247002","5.455","0.015","14.57","0.04","14.53","0.04","90","","96.13","0.04","90","","1148","5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form I","FLUCYTOSINE-GENTISIC ACID form I","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1078","0.0732","","","0.1819","0.2095","","","","","","0.99","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247003","3.715","0.002","14.634","0.008","22.239","0.015","90","","92.71","0.02","90","","1207.7","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form II","FLUCYTOSINE-GENTISIC ACID form II","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1158","0.0538","","","0.1027","0.1249","","","","","","1.017","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247004","10.3556","0.0004","8.6408","0.0003","14.1363","0.0006","90","","110.761","0.002","90","","1182.79","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FLUCYTOSINE-GENTISATE form III","FLUCYTOSINE-GENTISATE form III","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.0599","0.0438","","","0.1177","0.1316","","","","","","1.048","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247005","8.934","0.0004","11.4151","0.0005","13.698","0.0006","83.066","0.001","81.123","0.001","83.439","0.001","1363.6","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 Eu N3 O7 -","- C33 H20 Eu N3 O7 -","- C66 H40 Eu2 N6 O14 -","2","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0286","0.0254","","","0.0608","0.0626","","","","","","1.077","","","","has coordinates,has disorder","286103","2023-09-05","19:38:49",""
"7247006","11.2602","0.0007","12.0576","0.0007","12.2932","0.0007","78.341","0.003","78.639","0.003","63.154","0.003","1447.73","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","1","0.5","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0719","0.0661","","","0.1753","0.1796","","","","","","1.147","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247007","9.7558","0.0001","18.2307","0.0001","18.7616","0.0001","90","","101.188","0.001","90","","3273.43","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Eu N3 O8 -","- C39 H24 Eu N3 O8 -","- C156 H96 Eu4 N12 O32 -","4","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","1.54184","CuKα","","0.0312","0.0299","","","0.0779","0.079","","","","","","1.066","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247008","10.9554","0.0006","18.3762","0.001","19.9036","0.001","90","","100.718","0.001","90","","3937.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 Nd O8 -","- C30 H32 Au3 N10 Nd O8 -","- C120 H128 Au12 N40 Nd4 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.071","0.0364","","","0.0493","0.0562","","","","","","0.987","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247009","7.8419","0.0006","19.2528","0.0015","23.7526","0.0018","90","","91.512","0.001","90","","3584.9","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Au6 N20 O20 Sm Tb -","- C52 H56 Au5.998 N20 O20 Sm Tb -","- C104 H112 Au11.996 N40 O40 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0418","0.0313","","","0.0652","0.0682","","","","","","1.097","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247010","7.8552","0.0015","19.264","0.003","23.773","0.004","90","","91.419","0.007","90","","3596.3","1.1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Tb -","- C26 H28 Au3 N10 O10 Tb -","- C104 H112 Au12 N40 O40 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0609","0.0387","","","0.0861","0.0947","","","","","","1.036","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247011","10.854","0.002","18.197","0.003","19.849","0.004","90","","99.778","0.003","90","","3863.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Ce N10 O8 -","- C30 H32 Au3 Ce N10 O8 -","- C120 H128 Au12 Ce4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0352","0.0253","","","0.0496","0.0522","","","","","","1.017","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247012","7.8699","0.0007","19.2577","0.0014","23.7813","0.0017","90","","91.485","0.004","90","","3603","0.5","230","","230","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Sm0.41 Tb0.59 -","- C26 H28 Au3 N10 O10 Sm0.403 Tb0.597 -","- C104 H112 Au12 N40 O40 Sm1.612 Tb2.388 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0312","0.0249","","","0.0543","0.0564","","","","","","1.037","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247013","7.958","0.0007","10.2731","0.001","23.067","0.002","89.082","0.004","85.457","0.004","70.612","0.002","1773.2","0.3","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Au3 N10 Nd O9 -","- C26 H26 Au3 N10 Nd O9 -","- C52 H52 Au6 N20 Nd2 O18 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0926","0.0633","","","0.1616","0.1775","","","","","","1.027","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247014","7.8884","0.0008","10.2453","0.001","23.058","0.002","89.15","0.002","85.419","0.002","70.588","0.002","1751.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Au3 N10 O9 Sm0.79 Tb0.22 -","- C26 H26 Au3.0002 N10 O9 Sm0.784 Tb0.216 -","- C52 H52 Au6.0004 N20 O18 Sm1.568 Tb0.432 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0504","0.0306","","","0.0434","0.0472","","","","","","1.015","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247015","10.9102","0.0009","18.2189","0.0015","19.7594","0.0018","90","","100.364","0.003","90","","3863.5","0.6","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Sm -","- C30 H32 Au3 N10 O8 Sm -","- C120 H128 Au12 N40 O32 Sm4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0359","0.0258","","","0.0535","0.0563","","","","","","1.029","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247016","10.8731","0.0005","18.0339","0.0009","19.5988","0.0011","90","","99.557","0.002","90","","3789.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Au6 N20 O16 Sm Tb -","- C60 H64 Au6 N20 O16 Sm Tb -","- C120 H128 Au12 N40 O32 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0201","0.0178","","","0.0366","0.0372","","","","","","1.096","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247017","10.8792","0.0006","17.9625","0.001","19.5519","0.0012","90","","99.575","0.002","90","","3767.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Dy N10 O8 -","- C30 H32 Au3 Dy N10 O8 -","- C120 H128 Au12 Dy4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.032","0.0303","","","0.0785","0.0797","","","","","","1.086","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247018","7.8704","0.0017","19.268","0.005","23.801","0.006","90","","91.576","0.009","90","","3608","1.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 Eu N10 O10 -","- C26 H28 Au2.999 Eu N10 O10 -","- C104 H112 Au11.996 Eu4 N40 O40 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0721","0.0347","","","0.0558","0.0628","","","","","","1.02","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247019","10.8939","0.0006","17.908","0.001","19.463","0.001","90","","99.59","0.001","90","","3743.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Yb -","- C30 H32 Au3 N10 O8 Yb -","- C120 H128 Au12 N40 O32 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0245","0.0208","","","0.0452","0.0464","","","","","","1.079","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247020","7.7711","0.0013","19.156","0.003","23.765","0.004","90","","91.03","0.003","90","","3537.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Yb -","- C26 H28 Au3.001 N10 O10 Yb -","- C104 H112 Au12.004 N40 O40 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0302","0.0246","","","0.0515","0.0538","","","","","","1.068","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247021","10.887","0.0007","18.0157","0.0013","19.5884","0.0014","90","","99.626","0.003","90","","3787.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Tb -","- C30 H32 Au3 N10 O8 Tb -","- C120 H128 Au12 N40 O32 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0438","0.0362","","","0.1234","0.1307","","","","","","1.047","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247022","10.8683","0.0005","18.0285","0.0007","19.6168","0.001","90","","99.538","0.002","90","","3790.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Eu N10 O8 -","- C30 H32 Au3 Eu N10 O8 -","- C120 H128 Au12 Eu4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0328","0.0291","","","0.0686","0.07","","","","","","1.094","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247023","15.6071","0.0007","10.1092","0.0004","19.5816","0.0008","90","","110.641","0.005","90","","2891.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O2 S -","- C34 H30 N2 O2 S -","- C136 H120 N8 O8 S4 -","4","1","","Kumar, Krishan; Karmakar, Anirban; Chen, Feng-Rong; Jou, Jwo-Huei; Ghosh, Subrata; Banik, Subrata; Kumar, Sunil","Rationally heteroarylated pyridines as hole transport materials for OLEDs.","Physical chemistry chemical physics : PCCP","2023","25","29","19648","19659","10.1039/d3cp01726e","","","1.54184","CuKα","","0.0643","0.0507","","","0.137","0.153","","","","","","1.022","","","","has coordinates","285528","2023-08-05","09:35:41",""
"7247024","17.7843","0.0002","34.8725","0.0004","7.54963","0.00009","90","","90","","90","","4682.15","0.09","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H23 N5 O -","- C28 H23 N5 O -","- C224 H184 N40 O8 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1137","0.1154","","","","","","1.049","","","","has coordinates","286099","2023-09-05","19:37:45",""
"7247025","20.8701","0.0007","20.0485","0.0007","15.1301","0.0005","90","","114.052","0.001","90","","5781","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C280 H192 Cd8 N48 O32 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.34139","Synchrotron","GaKα","0.0392","0.0292","","","0.0754","0.079","","","","","","1.078","","","","has coordinates,has disorder","286099","2023-09-05","19:37:46",""
"7247026","3.9472","0.0002","3.9472","0.0002","15.2401","0.0001","90","","90","","90","","237.447","0.017","","","30","","","","","","","","","3","I 4/m m m","-I 4 2","139","Cesium iron selenide (0.82/1.62/2)","","","- Cs0.82 Fe1.62 Se2 -","- Cs0.82 Fe1.62 Se2 -","- Cs1.64 Fe3.24 Se4 -","2","0.0625","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","","","","","","","","","","","","","","","","","","","has coordinates","286107","2023-09-05","19:40:38",""
"7247027","12.575","0.001","26.24","0.002","14.684","0.001","90","","102.485","0.01","90","","4730.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Fe N9 O4 Sn -","- C52 H52 Fe N9 O4 Sn -","- C208 H208 Fe4 N36 O16 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.0548","0.0411","","","0.1043","0.1135","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247028","16.45","0.001","27.473","0.003","18.743","0.002","90","","104.441","0.01","90","","8202.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C380 H212 Cl32 Mo4 N64 O8 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.2431","0.1281","","","0.3251","0.3704","","","","","","1.193","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247029","12.9659","0.0004","18.5545","0.0003","14.3959","0.0003","90","","104.36","0.002","90","","3355.1","0.14","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C140 H144 Cl10 Ir2 N20 Na2 O12 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0281","0.0259","","","0.0578","0.0587","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247030","12.1076","0.0003","12.5476","0.0003","13.9976","0.0003","99.14","0.002","103.14","0.002","109.704","0.002","1884.19","0.09","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H25 Cl2 N8 O3 Sn V -","- C45.9994 H24.9996 Cl1.9998 N8 O3 Sn V -","- C91.9988 H49.9992 Cl3.9996 N16 O6 Sn2 V2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0203","0.0184","","","0.0482","0.0492","","","","","","1.059","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247031","36.653","0.003","21.7587","0.0018","28.04","0.003","90","","120.978","0.002","90","","19173","3","120","1","120","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C812 H664 Cl44 N144 Na8 O48 Ru8 Sn16 -","8","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1728","0.1131","","","0.2292","0.2625","","","","","","1.149","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247032","14.8478","0.0002","12.6529","0.0001","23.7022","0.0002","90","","91.224","0.001","90","","4451.86","0.08","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 Cl2 I2 Ir N8 Sn -","- C48 H35 Cl2 I2 Ir N8 Sn -","- C192 H140 Cl8 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0229","0.0219","","","0.0534","0.0537","","","","","","1.118","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247033","12.8043","0.0008","11.4261","0.0007","25.2186","0.0017","90","","103.808","0.006","90","","3582.9","0.4","100","0.8","100","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cl2 Ir N8 Sn -","- C42 H31 Cl2 Ir N8 Sn -","- C168 H124 Cl8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1271","0.0724","","","0.1171","0.1364","","","","","","1.054","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247034","12.197","0.0003","12.7088","0.0003","13.9744","0.0003","99.379","0.002","104.646","0.002","109.904","0.002","1895.3","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H25 Cl3 Mo N8 O2 Sn -","- C45 H25 Cl3 Mo N8 O2 Sn -","- C90 H50 Cl6 Mo2 N16 O4 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0349","0.0304","","","0.0744","0.077","","","","","","1.037","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247035","22.3297","0.0005","12.2594","0.0003","26.799","0.0008","90","","110.193","0.003","90","","6885.3","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C296 H276 Cl16 Co4 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0947","0.0804","","","0.2076","0.2176","","","","","","1.114","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247036","16.1813","0.0018","14.7119","0.0008","37.959","0.002","109.856","0.005","98.694","0.007","95.271","0.007","8301.3","1.2","100","2","100","2","","","","","","","no","8","P -1","-P 1","2","","Decamethylchromosenium salt of tin(II) naphthalocyanine coordinated Ir4(CO)11 cluster, dichlorobenzene solvate","","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C364 H248 Cl16 Cr4 Ir16 N32 O44 Sn4 -","4","2","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.2689","0.1638","","","0.3552","0.3897","","","","","","0.991","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247037","16.9638","0.0003","19.8243","0.0003","19.9815","0.0003","90","","96.196","0.001","90","","6680.43","0.19","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C276 H200 Cl8 Cr4 Ir16 N32 O44 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0428","0.0295","","","0.0535","0.0569","","","","","","1.042","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247038","22.7101","0.0006","14.5414","0.0008","39.6766","0.0016","90","","90","","90","","13102.7","1","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C528 H480 Cl32 Fe8 K8 N80 O80 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1381","0.0773","","","0.1367","0.1596","","","","","","1.063","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247039","7.8022","0.0003","13.8143","0.0006","20.8527","0.0009","90","","90","","90","","2247.54","0.16","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","1","0.25","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.0214","0.0199","","","0.0471","0.0477","","","","","","1.048","","","","has coordinates","285210","2023-07-14","01:15:10",""
"7247040","10.626","0.006","11.755","0.007","11.982","0.008","81.815","0.015","67.238","0.015","74.59","0.012","1329.2","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 Cl3 Mn N2 O8 S -","- C21 H26 Cl3 Mn N2 O8 S -","- C42 H52 Cl6 Mn2 N4 O16 S2 -","2","1","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.1406","0.1028","","","0.2774","0.3176","","","","","","1.172","","","","has coordinates","285210","2023-07-14","01:15:11",""
"7247041","15.4932","0.0006","17.3487","0.0007","12.3645","0.0005","90","","123.207","0.001","90","","2780.69","0.19","273","2","273","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C23 H30 Cl Mn N2 O11 S -","- C23 H30 Cl Mn N2 O11 S -","- C92 H120 Cl4 Mn4 N8 O44 S4 -","4","0.5","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.0565","0.0534","","","0.1588","0.1623","","","","","","1.062","","","","has coordinates,has disorder","285210","2023-07-14","01:15:12",""
"7247042","29.4946","0.0009","7.7686","0.0002","25.995","0.0008","90","","120.781","0.001","90","","5117.2","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 Cl2 Mn2 N4 O21 -","- C42 H56 Cl2 Mn2 N4 O21 -","- C168 H224 Cl8 Mn8 N16 O84 -","4","0.5","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","","","","0.0642","0.0586","","","0.1847","0.1911","","","","","","1.05","","","","has coordinates","285210","2023-07-14","01:15:12",""
"7247043","9.5389","0.0006","9.7198","0.0005","13.2575","0.0006","90","","90","","90","","1229.19","0.11","123","","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","TB-017","","- C12 H12 Cl2 N P -","- C12 H12 Cl2 N P -","- C48 H48 Cl8 N4 P4 -","4","1","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0255","0.0209","","","0.0463","0.047","","","","","","0.958","","","","has coordinates","285216","2023-07-15","01:01:52",""
"7247044","11.8259","0.001","12.6614","0.0008","12.5663","0.001","90","","110.673","0.006","90","","1760.4","0.2","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","TB053P.K","","- C16 H9 Cl N O5 P W -","- C16 H9 Cl N O5 P W -","- C64 H36 Cl4 N4 O20 P4 W4 -","4","1","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0994","0.0315","","","0.0433","0.0517","","","","","","0.53","","","","has coordinates","285216","2023-07-15","01:01:53",""
"7247045","9.1981","0.0005","14.8394","0.0012","13.0755","0.0008","90","","102.642","0.006","90","","1741.5","0.2","123","","123","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","TB037P.K","","- C16 H10 N O6 P W -","- C16 H10 N O6 P W -","- C64 H40 N4 O24 P4 W4 -","4","0.5","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0915","0.0768","","","0.2047","0.2165","","","","","","1.135","","","","has coordinates,has disorder","285216","2023-07-15","01:01:53",""
"7247046","7.703","0.007","9.477","0.009","10.206","0.01","112.963","0.012","102.917","0.013","95.919","0.013","653.4","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0343","0.032","","","0.0944","0.0977","","","","","","0.978","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247047","7.8166","0.0016","11.069","0.002","11.929","0.002","72.386","0.003","78.707","0.003","80.019","0.003","957.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0395","0.0346","","","0.1016","0.1047","","","","","","1.028","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247048","8.5226","0.0003","10.0347","0.0004","12.5476","0.0005","77.009","0.002","81.678","0.002","86.51","0.002","1034.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C50 H46 N6 O6 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0709","0.0508","","","0.1417","0.158","","","","","","1.039","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247049","12.5066","0.0004","14.8096","0.0005","18.3306","0.0007","90","","90","","90","","3395.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0678","0.0466","","","0.1152","0.1278","","","","","","1.063","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247050","11.3394","0.0008","11.345","0.0008","14.9825","0.001","77.424","0.005","86.116","0.004","67.045","0.004","1731.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H32 N4 O4 -","- C44 H32 N4 O4 -","- C88 H64 N8 O8 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.1413","0.0723","","","0.1724","0.2116","","","","","","1.061","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247051","7.9976","0.0005","8.4028","0.0005","12.3149","0.0008","75.304","0.003","71.879","0.003","81.037","0.003","758.14","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 F3 N2 O3 S -","- C14 H15 F3 N2 O3 S -","- C28 H30 F6 N4 O6 S2 -","2","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.0378","0.0338","","","0.0977","0.1002","","","","","","1.055","","","","has coordinates","286122","2023-09-05","19:44:01",""
"7247052","10.8564","0.0014","7.7062","0.0009","38.699","0.005","90","","90","","90","","3237.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 F3 N4 O2 -","- C16 H19 F3 N4 O2 -","- C128 H152 F24 N32 O16 -","8","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.19","0.0959","","","0.2089","0.2374","","","","","","1.036","","","","has coordinates,has disorder","286122","2023-09-05","19:44:02",""
"7247053","14.6222","0.0016","5.5787","0.0006","14.6298","0.0016","90","","144.34","0.01","90","","695.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0336","0.0315","","","0.0782","0.0794","","","","","","1.091","","","","has coordinates","286110","2023-09-05","19:41:07",""
"7247054","6.78","0.002","10.046","0.003","10.579","0.003","90","","104.986","0.007","90","","696","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0575","0.0482","","","0.1064","0.1109","","","","","","1.215","","","","has coordinates","286110","2023-09-05","19:41:08",""
"7247055","7.2373","0.0005","11.5245","0.0008","12.2725","0.0008","70.605","0.002","84.799","0.002","76.466","0.002","938.61","0.11","140","","140","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid oxalate dihydrate","","","- C19 H22 F N3 O8 -","- C19 H22 F N3 O8 -","- C38 H44 F2 N6 O16 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0906","0.0929","","","","","","1.025","","","","has coordinates","286117","2023-09-05","19:42:47",""
"7247056","7.1349","0.0008","11.9568","0.0014","12.32","0.0013","77.766","0.004","89.132","0.004","82.126","0.004","1017.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid dioxalate dihydrate","","","- C20 H23 F N3 O10 -","- C20 H23 F N3 O10 -","- C40 H46 F2 N6 O20 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0475","0.0353","","","0.0864","0.0916","","","","","","1.03","","","","has coordinates","286117","2023-09-05","19:42:48",""
"7247057","13.7549","0.0018","13.9237","0.0019","30.361","0.004","90.753","0.005","93.648","0.004","94.741","0.005","5782.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Hexa-Ciprofloxacin tri-oxalate dihydrate","","","- C108 H118 F6 N18 O32 -","- C108 H118 F6 N18 O32 -","- C216 H236 F12 N36 O64 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0577","0.0405","","","0.1023","0.1092","","","","","","1.04","","","","has coordinates,has disorder","286117","2023-09-05","19:42:48",""
"7247058","19.785","0.004","18.079","0.004","16.343","0.003","90","","115.629","0.007","90","","5270.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 F12 N6 O4 -","- C54 H54 F12 N6 O4 -","- C216 H216 F48 N24 O16 -","4","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1441","0.0887","","","0.2464","0.2799","","","","","","1.064","","","","has coordinates,has disorder","287334","2023-11-06","07:22:45",""
"7247059","10.8811","0.0017","11.1873","0.0017","16.516","0.002","70.972","0.006","71.325","0.006","85.357","0.007","1800","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","1","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1637","0.0857","","","0.2495","0.2907","","","","","","1.088","","","","has coordinates","287334","2023-11-06","07:22:59",""
"7247060","15.7903","0.0011","16.4942","0.001","19.737","0.0014","90","","110.881","0.003","90","","4802.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F6 N6 O4 -","- C52 H56 F6 N6 O4 -","- C208 H224 F24 N24 O16 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1086","0.0609","","","0.1453","0.1672","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:08",""
"7247061","10.352","0.002","18.345","0.004","20.704","0.005","90","","93.095","0.009","90","","3926.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 N4 O6 -","- C40 H46 F6 N4 O6 -","- C160 H184 F24 N16 O24 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1031","0.0605","","","0.1438","0.1606","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:25",""
"7247062","10.08686","0.00012","12.80881","0.00017","14.06927","0.00018","90","","97.4889","0.0012","90","","1802.25","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl 1-((R)-1-(methoxycarbonyl)-2-methylpropyl)piperidin-4-ylcarbamate","","- C32 H60 N4 O8 -","- C32 H60 N4 O8 -","- C64 H120 N8 O16 -","2","1","","Matulevičiūtė, Gita; Kleizienė, Neringa; Račkauskienė, Greta; Martynaitis, Vytas; Bieliauskas, Aurimas; Šachlevičiūtė, Urtė; Jankauskas, Rokas; Bartkus, Martynas R.; Sløk, Frank A.; Šačkus, Algirdas","Facile synthesis of new N-(aminocycloalkylene)amino acid compounds using chiral triflate esters with N-Boc-aminopyrrolidines and N-Boc-aminopiperidines","RSC Advances","2023","13","31","21378","21394","10.1039/D3RA03060A","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0805","0.0811","","","","","","1.0525","","","","has coordinates","285270","2023-07-19","01:03:43",""
"7247063","10.09241","0.00017","12.82419","0.00017","14.0647","0.0002","90","","97.4248","0.0016","90","","1805.09","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl 1-((S)-1-(methoxycarbonyl)-2-methylpropyl)piperidin-4-ylcarbamate","","- C32 H60 N4 O8 -","- C32 H60 N4 O8 -","- C64 H120 N8 O16 -","2","1","","Matulevičiūtė, Gita; Kleizienė, Neringa; Račkauskienė, Greta; Martynaitis, Vytas; Bieliauskas, Aurimas; Šachlevičiūtė, Urtė; Jankauskas, Rokas; Bartkus, Martynas R.; Sløk, Frank A.; Šačkus, Algirdas","Facile synthesis of new N-(aminocycloalkylene)amino acid compounds using chiral triflate esters with N-Boc-aminopyrrolidines and N-Boc-aminopiperidines","RSC Advances","2023","13","31","21378","21394","10.1039/D3RA03060A","","x-ray","1.54184","CuKα","","0.0316","0.0309","","","0.0835","0.084","","","","","","1.0518","","","","has coordinates","285270","2023-07-19","01:03:44",""
"7247064","12.0927","0.0004","7.3784","0.0002","21.8294","0.0007","90","","93.39","0.002","90","","1944.32","0.1","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F N3 O2 -","- C25 H22 F N3 O2 -","- C100 H88 F4 N12 O8 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","x-ray","0.71073","MoKα","","0.0583","0.0403","","","0.091","0.0995","","","","","","1.034","","","","has coordinates,has disorder","285293","2023-07-20","01:26:09",""
"7247065","21.5323","0.0004","6.9303","0.0001","29.2911","0.0007","90","","93.555","0.001","90","","4362.56","0.15","99.97","","100.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H21 F N4 O4 -","- C25 H21 F N4 O4 -","- C200 H168 F8 N32 O32 -","8","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0482","0.0358","","","0.0897","0.0978","","","","","","1.017","","","","has coordinates","285293","2023-07-20","01:26:10",""
"7247066","12.1596","0.0004","7.4148","0.0003","23.0902","0.0009","90","","96.662","0.002","90","","2067.78","0.13","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F N3 O2 -","- C26 H24 F N3 O2 -","- C104 H96 F4 N12 O8 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","x-ray","0.71073","MoKα","","0.0674","0.0423","","","0.0909","0.1021","","","","","","1.008","","","","has coordinates","285293","2023-07-20","01:26:10",""
"7247067","12.1368","0.0003","7.3737","0.0002","22.1506","0.0005","90","","94.506","0.001","90","","1976.2","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 F2 N3 O2 -","- C25 H21 F2 N3 O2 -","- C100 H84 F8 N12 O8 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","x-ray","0.71073","MoKα","","0.0419","0.0394","","","0.1029","0.1056","","","","","","1.042","","","","has coordinates","285293","2023-07-20","01:26:13",""
"7247068","7.222","0.0001","10.4778","0.0002","14.4403","0.0003","75.338","0.001","82.465","0.001","85.928","0.001","1047.18","0.03","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cl F2 N3 O2 -","- C25 H20 Cl F2 N3 O2 -","- C50 H40 Cl2 F4 N6 O4 -","2","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0356","0.0324","","","0.0876","0.0911","","","","","","1.0632","","","","has coordinates,has disorder","285293","2023-07-20","01:26:16",""
"7247069","11.191","0.0003","10.9002","0.0003","25.9816","0.0008","90","","97.846","0.002","90","","3139.67","0.16","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 F Fe N3 O3 -","- C38 H36 F Fe N3 O3 -","- C152 H144 F4 Fe4 N12 O12 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0466","0.0339","","","0.0772","0.0836","","","","","","1.0469","","","","has coordinates,has disorder","285293","2023-07-20","01:26:19",""
"7247070","9.8457","0.0019","10.6763","0.0019","14.355","0.003","90","","115.832","0.006","90","","1358.2","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Co2L2Cl2]","","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C48 H52 Br4 Cl4 Co4 N8 O4 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1792","0.105","","","0.2502","0.2855","","","","","","1.0793","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247071","7.3125","0.0004","9.9783","0.0006","11.6624","0.0007","71.043","0.002","80.28","0.002","77.336","0.002","780.82","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0484","0.0404","","","0.0846","0.0915","","","","","","1.171","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247072","18.0168","0.001","22.4384","0.0013","9.4282","0.0006","90","","96.955","0.002","90","","3783.5","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Co2L2(acac)2]2","","- C68 H84 Br4 Co4 N8 O12 -","- C68 H84 Br4 Co4 N8 O12 -","- C136 H168 Br8 Co8 N16 O24 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1564","0.065","","","0.1048","0.1305","","","","","","1.023","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247073","9.9504","0.0007","10.6442","0.0008","11.3733","0.0008","96.093","0.003","114.41","0.002","108.736","0.002","998.14","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0509","0.0389","","","0.071","0.0746","","","","","","1.0431","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247074","16.316","0.0012","5.3605","0.0004","17.8044","0.0015","90","","102.726","0.003","90","","1519","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.0687","0.041","","","0.0868","0.102","","","","","","1.069","","","","has coordinates","286141","2023-09-05","19:57:20",""
"7247075","10.662","0.0004","22.8698","0.0009","14.5817","0.0005","90","","95.618","0.001","90","","3538.5","0.2","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N3 Ni O4 S -","- C17 H20 N3 Ni0.5 O4 S -","- C136 H160 N24 Ni4 O32 S8 -","8","1","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.0374","0.0318","","","0.0871","0.0914","","","","","","1.068","","","","has coordinates","286141","2023-09-05","19:57:20",""
"7247076","10.0731","0.0002","20.1087","0.0005","10.8313","0.0003","90","","105.39","0.001","90","","2115.28","0.09","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br Cl2 N3 Ni -","- C21 H20 Br Cl2 N3 Ni -","- C84 H80 Br4 Cl8 N12 Ni4 -","4","1","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.0558","0.036","","","0.0719","0.0832","","","","","","1.044","","","","has coordinates,has disorder","286141","2023-09-05","19:57:20",""
"7247077","13.746","0.003","16.148","0.004","16.995","0.004","65.764","0.007","69.468","0.006","74.898","0.005","3191.2","1.3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Br2 Cl2 N6 Ni -","- C31 H28 Br2 Cl2 N6 Ni -","- C124 H112 Br8 Cl8 N24 Ni4 -","4","2","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.1094","0.0655","","","0.1726","0.2051","","","","","","1.034","","","","has coordinates,has disorder","286141","2023-09-05","19:57:20",""
"7247078","5.8122","0.0006","29.731","0.003","6.4123","0.0007","90","","106.167","0.011","90","","1064.2","0.2","294.9","0.5","294.9","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.068","0.048","","","0.1314","0.1494","","","","","","1.035","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247079","8.7126","0.0001","6.0447","0.0001","10.8452","0.0001","90","","91.972","0.001","90","","570.825","0.013","302.98","0.1","302.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0303","0.0301","","","0.0773","0.0775","","","","","","1.086","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247080","5.8469","0.0002","6.4881","0.0003","15.9753","0.0007","80.106","0.004","85.81","0.003","73.682","0.004","572.77","0.04","302.99","0.1","302.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0479","0.0432","","","0.1299","0.135","","","","","","1.086","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247081","13.5689","0.0006","5.8946","0.0002","14.9692","0.0008","90","","98.919","0.004","90","","1182.81","0.09","302.98","0.1","302.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0661","0.0519","","","0.1523","0.1678","","","","","","1.066","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247082","14.6295","0.0014","6.0707","0.0006","15.0512","0.0017","90","","112.042","0.012","90","","1239","0.2","303.88","0.1","303.88","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0733","0.0552","","","0.1519","0.1638","","","","","","1.087","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247083","8.2172","0.0002","11.5108","0.0003","16.6802","0.0005","90","","95.056","0.003","90","","1571.58","0.07","282","20","282","20","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0504","0.0429","","","0.1228","0.1283","","","","","","1.091","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247084","8.0697","0.0005","8.4048","0.0004","14.8801","0.0006","85.239","0.004","74.568","0.005","73.318","0.005","931.88","0.09","303.99","0.1","303.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0608","0.046","","","0.1305","0.1417","","","","","","1.076","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247085","5.8609","0.0004","21.0733","0.0011","10.4926","0.0006","90","","94.188","0.005","90","","1292.46","0.13","301.97","0.1","301.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","0.71073","MoKα","","0.0768","0.0469","","","0.125","0.1395","","","","","","1.07","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247086","6.2842","0.0002","13.1283","0.0004","15.8787","0.0003","88.249","0.002","83.997","0.002","79.406","0.003","1280.53","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0661","0.0575","","","0.1705","0.1782","","","","","","1.09","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247087","15.8309","0.0002","16.98433","0.00019","11.3086","0.00015","90","","108.891","0.0015","90","","2876.85","0.07","287.3","0.3","287.3","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C128 H136 N8 O16 -","8","2","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0569","0.0501","","","0.1571","0.1639","","","","","","1.075","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247088","6.88033","0.00005","8.96243","0.00008","20.89332","0.00015","90","","91.9928","0.0006","90","","1287.6","0.017","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H26 O12 -","- C30 H26 O12 -","- C60 H52 O24 -","2","1","","Zhang, Yiqing; Luo, Luyao; Zhu, Shuaiming; Niu, Shubin; Zhang, Youzhi; Zhang, Yang","Cladoxanthones C–G, xanthone derivatives from Cladosporium sp.","RSC Advances","2023","13","32","21954","21961","10.1039/D3RA04012G","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0627","0.0629","","","","","","1.076","","","","has coordinates","285307","2023-07-21","01:16:41",""
"7247089","14.928","0.004","18.059","0.004","20.972","0.005","84.908","0.006","76.202","0.006","78.679","0.006","5379","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H120 Au4 Cl6 N8 O8 -","- C120 H120 Au4 Cl6 N8 O8 -","- C240 H240 Au8 Cl12 N16 O16 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.176","0.101","","","0.2822","0.3543","","","","","","1.155","","","","has coordinates,has disorder","286109","2023-09-05","19:40:59",""
"7247090","16.7951","0.0017","17.6474","0.0017","19.8427","0.0018","77.941","0.003","82.828","0.003","75.258","0.003","5546.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Au2 Cl4 N4 O4 -","- C60 H60 Au2 Cl4 N4 O4 -","- C240 H240 Au8 Cl16 N16 O16 -","4","2","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0609","0.0368","","","0.0784","0.0849","","","","","","1.013","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247091","14.437","0.0007","18.6296","0.0009","22.2485","0.0011","82.428","0.002","79.383","0.002","77.623","0.002","5718.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H128 Au4 Cl6 N8 O12 -","- C124 H126 Au4 Cl6 N8 O12 -","- C248 H252 Au8 Cl12 N16 O24 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0708","0.04","","","0.0911","0.1006","","","","","","1.085","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247092","6.1385","0.0004","11.76","0.0008","17.0258","0.0011","104.208","0.006","96.087","0.005","103.597","0.006","1140.46","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 F2 O2 P -","- C28 H21 F2 O2 P -","- C56 H42 F4 O4 P2 -","2","1","","Chu, Xue-Qiang; Sun, Li-Wen; Ma, Cheng; Chen, Jia-Wei; Chen, Yu-Lan; Ni, Shao-Fei; Zhu, Ming-Quan; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang","“On-water” defluorophosphorylation of trifluoromethylated enones with phosphine oxides","Green Chemistry","2023","25","16","6489","6497","10.1039/D3GC01565C","","x-ray","0.71073","MoKα","","0.0559","0.0428","","","0.0947","0.1041","","","","","","1.047","","","","has coordinates","286142","2023-09-05","19:57:28",""
"7247093","13.606","0.0003","16.1758","0.0004","14.0833","0.0003","90","","98.198","0.002","90","","3067.89","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 F2 N3 O4 P -","- C36 H26 F2 N3 O4 P -","- C144 H104 F8 N12 O16 P4 -","4","1","","Chu, Xue-Qiang; Sun, Li-Wen; Ma, Cheng; Chen, Jia-Wei; Chen, Yu-Lan; Ni, Shao-Fei; Zhu, Ming-Quan; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang","“On-water” defluorophosphorylation of trifluoromethylated enones with phosphine oxides","Green Chemistry","2023","25","16","6489","6497","10.1039/D3GC01565C","","x-ray","1.54184","CuKα","","0.0475","0.0417","","","0.1071","0.1131","","","","","","1.025","","","","has coordinates","286142","2023-09-05","19:57:29",""
"7247094","11.5388","0.0005","15.217","0.0007","31.3898","0.0014","88.955","0.002","88.529","0.002","76.813","0.003","5364.1","0.4","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 B2 N3 O4 -","- C27 H39 B2 N3 O4 -","- C216 H312 B16 N24 O32 -","8","4","","Tao, Sheng; Wang, Yang; Pan, Qianxiu; Zhao, Jixing; Bu, Qingqing; Chen, Fei; Liu, Jichang; Dai, Bin; Wei, Donghui; Liu, Ning","Aqueous hydroboration of alkynes via nonclassical generation of N-heterocyclic carbenes","Green Chemistry","2023","25","17","6704","6716","10.1039/D3GC01232H","","","1.54178","CuKα","","0.1375","0.0966","","","0.2478","0.2946","","","","","","1.101","","","","has coordinates,has disorder","286137","2023-09-05","19:56:33",""
"7247095","19.9852","0.0004","7.5581","0.0001","20.2911","0.0004","90","","90","","90","","3064.97","0.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Titenkova, Kseniia; Shuvaev, Alexander D.; Teslenko, Fedor E.; Zhilin, Egor S.; Fershtat, Leonid L.","Empowering strategies of electrochemical N–N bond forming reactions: direct access to previously neglected 1,2,3-triazole 1-oxides","Green Chemistry","2023","25","17","6686","6693","10.1039/D3GC01601C","","","0.71073","MoKα","","0.0687","0.0497","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates,has disorder","286139","2023-09-05","19:56:49",""
"7247096","5.2481","0.0012","14.898","0.003","15.184","0.004","90","","90","","90","","1187.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.0466","0.0378","","","0.1142","0.1298","","","","","","0.935","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247097","8.638","0.01","17.1","0.02","8.705","0.01","90","","111.112","0.014","90","","1200","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.164","0.0807","","","0.1976","0.2414","","","","","","1.008","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247098","13.0431","0.0006","15.4223","0.0007","17.5012","0.0007","76.057","0.004","83.296","0.004","84.321","0.004","3384.2","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 N4 O20 S4 -","- C54 H43 N4 O20 S4 -","- C108 H86 N8 O40 S8 -","2","1","","Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.","Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00044C","","x-ray","1.54184","CuKα","","0.1093","0.0807","","","0.2365","0.2641","","","","","","1.074","","","","has coordinates","285343","2023-07-26","00:01:26",""
"7247099","13.1496","0.0005","21.1566","0.0008","13.3584","0.0004","90","","90","","90","","3716.3","0.2","150","","150","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C35 H42 N2 O12 S2 -","- C35 H42 N2 O12 S2 -","- C140 H168 N8 O48 S8 -","4","0.5","","Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.","Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00044C","","x-ray","1.54184","CuKα","","0.054","0.0441","","","0.1173","0.1251","","","","","","1.079","","","","has coordinates","285343","2023-07-26","00:01:26",""
"7247100","23.24","0.004","13.0799","0.0009","13.2996","0.0013","90","","90","","90","","4042.8","0.8","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 N O5 S -","- C14 H11 N O5 S -","- C112 H88 N8 O40 S8 -","8","1","","Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.","Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00044C","","x-ray","1.54184","CuKα","","0.1561","0.1158","","","0.3094","0.3585","","","","","","1.046","","","","has coordinates","285343","2023-07-26","00:01:27",""
"7247101","7.7917","0.0007","10.5981","0.0009","20.3073","0.0018","90","","90","","90","","1676.9","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H10 N10 -","- C5 H10 N10 -","- C40 H80 N80 -","8","1","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.0814","0.0652","","","0.1575","0.1675","","","","","","1.075","","","","has coordinates","285347","2023-07-26","01:17:26",""
"7247102","22.0613","0.0013","13.9583","0.0008","14.5135","0.0008","90","","95.203","0.001","90","","4450.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H31 Cl4 Cu3 N31 O20 -","- C15 H31 Cl4 Cu3 N31 O20 -","- C60 H124 Cl16 Cu12 N124 O80 -","4","1","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.1327","0.074","","","0.1665","0.2038","","","","","","1.028","","","","has coordinates,has disorder","285347","2023-07-26","01:17:36",""
"7247103","22.1106","0.001","14.1198","0.0007","14.6843","0.0006","90","","94.725","0.001","90","","4568.8","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H156 Cl20 Cu12 N120 O100 -","- C60 H156 Cl20 Cu12 N120 O100 -","- C60 H156 Cl20 Cu12 N120 O100 -","1","0.25","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.0678","0.0429","","","0.089","0.1015","","","","","","1.03","","","","has coordinates,has disorder","285347","2023-07-26","01:17:36",""
"7247104","8.2694","0.0006","8.7155","0.0007","26.765","0.002","87.121","0.006","85.505","0.006","80.356","0.007","1894.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","CTC-1OH","","- C40 H39 N2 O18.5 -","- C40 H39 N2 O18.5 -","- C80 H78 N4 O37 -","2","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.0952","0.0551","","","0.1372","0.1637","","","","","","1.037","","","","has coordinates","286741","2023-10-06","00:06:20",""
"7247105","4.7835","0.0005","43.651","0.005","11.3771","0.0011","90","","90","","90","","2375.6","0.4","293","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O9 -","- C28 H24 N2 O9 -","- C112 H96 N8 O36 -","4","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.1739","0.1661","","","0.451","0.469","","","","","","1.135","","","","has coordinates,has disorder","286741","2023-10-06","00:06:20",""
"7247106","5.1806","0.0002","5.1806","0.0002","12.8377","0.001","90","","90","","120","","298.39","0.03","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O7 P2 -","- Al O7 P2 -","- Al2 O14 P4 -","2","0.166667","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0377","0.0356","","","0.0963","0.0983","","","","","","1.234","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247107","6.8925","0.0006","7.1249","0.0006","8.6411","0.0014","89.34","0.011","67.136","0.012","87.675","0.007","390.68","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Al O5 P -","- Al O5 P -","- Al4 O20 P4 -","4","2","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0963","0.0916","","","0.205","0.21","","","","","","1.116","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247108","7.9101","0.0007","7.9101","0.0007","7.1057","0.0008","90","","90","","120","","385.04","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","1","0.0833333","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0668","0.0603","","","0.1706","0.1749","","","","","","1.149","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247109","6.692","0.0002","6.692","0.0002","13.0305","0.0007","90","","90","","90","","583.54","0.04","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Ca O3 P -","- Ca O3 P -","- Ca8 O24 P8 -","8","1","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0251","0.0243","","","0.0654","0.0659","","","","","","1.133","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247110","16.0602","0.0012","7.6455","0.0009","11.9152","0.0013","90","","94.692","0.008","90","","1458.1","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Py-TP-BT","5-(2-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.0887","0.0465","","","0.0979","0.112","","","","","","1.017","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247111","6.1579","0.0003","7.5864","0.0004","31.1475","0.0014","90","","90","","90","","1455.1","0.12","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4Py-TP-BT","5-(4-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.1111","0.0553","","","0.1038","0.1217","","","","","","0.997","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247112","12.614","0.004","9.373","0.003","14.491","0.004","90","","93.835","0.004","90","","1709.4","0.9","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Br N3 O2 S2 -","- C17 H12 Br N3 O2 S2 -","- C68 H48 Br4 N12 O8 S8 -","4","1","","Yang, Weiguang; Luo, Danyang; Li, Guanrong; Hu, Weigao; Zheng, Jia; Chen, Lanmei","Mild and efficient synthesis of benzothiazolopyrimidine derivatives via CuAAC/ring cleavage/cyclization reaction","RSC Advances","2023","13","33","22966","22972","10.1039/D3RA04082H","","","0.71073","MoKα","","0.0644","0.0413","","","0.093","0.1019","","","","","","1.026","","","","has coordinates","285382","2023-07-29","01:17:09",""
"7247113","5.6474","0.0009","7.3558","0.0011","10.9693","0.0015","108.023","0.013","94.575","0.012","99.275","0.013","423.55","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","piperazine-1,4-diium di-sorbate","piperazine-1,4-diium di-2e,4e-hexadienoicate","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","1","0.5","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0553","0.0434","","","0.1029","0.114","","","","","","1.041","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247114","4.0241","0.0002","7.3014","0.0003","20.0901","0.001","97.098","0.004","92.087","0.004","90.663","0.003","585.29","0.05","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","Nicotinamide Sorbic acid","Nicotinamide 2e,4e-hexadienoicacid","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0585","0.0497","","","0.1281","0.1339","","","","","","1.093","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247115","8.8238","0.0003","11.919","0.0003","11.9562","0.0003","90","","95.671","0.003","90","","1251.29","0.06","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Diaminopyridinium Sorbate monohydrate","2,6-Diaminopyridinium 2e,4e-hexadienoicate monohydrate","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0415","0.0371","","","0.1001","0.1046","","","","","","1.053","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247116","27.4286","0.0008","17.9342","0.0002","15.0384","0.0004","90","","133.511","0.005","90","","5365","0.5","223","0.1","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H78 Cl6 Fe4 N O60 -","- C74 H78 Cl6 Fe4 N O60 -","- C148 H156 Cl12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0633","0.0597","","","0.1604","0.1643","","","","","","1.084","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247117","27.2657","0.0008","17.98779","0.00019","15.0294","0.0004","90","","133.512","0.005","90","","5345.8","0.5","223.15","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C74H76Cl4Fe4NO60","","- C74 H80 Cl4 Fe4 N O60 -","- C74 H80 Cl4 Fe4 N O60 -","- C148 H160 Cl8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","","1.54184","CuKα","","0.0539","0.0531","","","0.1383","0.1392","","","","","","1.026","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247118","27.2902","0.0013","17.9198","0.0003","15.0346","0.0007","90","","133.441","0.009","90","","5338.5","0.9","223","0.1","223","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","[NH4<C72H72O60Fe4](CH2Br2)2","","- C74 H80 Br4 Fe4 N O60 -","- C74 H80 Br4 Fe4 N O60 -","- C148 H160 Br8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","0.71073","MoKα","","0.0745","0.0709","","","0.2038","0.2077","","","","","","1.061","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247119","27.5848","0.0004","17.97775","0.0001","15.1052","0.0002","90","","133.527","0.003","90","","5431.2","0.3","223","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C72H72O60Fe4(CHBr3)2","","- C74 H78 Br6 Fe4 N O60 -","- C74 H78 Br6 Fe4 N O60 -","- C148 H156 Br12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0724","0.0708","","","0.1925","0.1947","","","","","","1.021","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247120","4.5991","0.0001","10.1298","0.0003","19.1657","0.0004","79.202","0.003","83.246","0.002","77.704","0.001","854.15","0.04","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F3 N3 O -","- C21 H15 F3 N3 O -","- C42 H30 F6 N6 O2 -","2","1","","Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr","Thermally induced dimensionality changes in derivatives of a ""super stable"" Blatter radical.","Physical chemistry chemical physics : PCCP","2023","25","34","22813","22818","10.1039/d3cp01298k","","","1.54184","CuKα","","0.0399","0.0365","","","0.1028","0.1056","","","","","","1.076","","","","has coordinates,has disorder","286197","2023-09-05","20:26:27",""
"7247121","7.9593","0.0002","9.5462","0.0002","13.0766","0.0003","87.499","0.003","78.856","0.002","66.872","0.001","895.92","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C21 H12 F6 N3 -","- C21 H12 F6 N3 -","- C42 H24 F12 N6 -","2","1","","Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr","Thermally induced dimensionality changes in derivatives of a ""super stable"" Blatter radical.","Physical chemistry chemical physics : PCCP","2023","25","34","22813","22818","10.1039/d3cp01298k","","","1.54184","CuKα","","0.0359","0.0326","","","0.088","0.09","","","","","","1.04","","","","has coordinates","286197","2023-09-05","20:26:27",""
"7247122","6.452","0.001","11.032","0.002","28.638","0.005","90","","90","","90","","2038.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 K N5 O14 P2 -","- C10 H22 K N5 O14 P2 -","- C40 H88 K4 N20 O56 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.036","0.0351","","","0.094","0.0945","","","","","","1.073","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247123","26.352","0.006","10.99","0.003","6.7232","0.0011","90","","90","","90","","1947.1","0.8","300","2","300","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H28 K N10 O26.25 P4 -","- C40 H56 K2 N20 O52.5 P8 -","2","0.5","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0834","0.0681","","","0.1868","0.2024","","","","","","1.052","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247124","26.388","0.009","10.285","0.004","6.2377","0.0015","90","","90","","90","","1692.9","1","320","2","320","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 K N5 O10 P2 -","- C10 H14 K N5 O10 P2 -","- C40 H56 K4 N20 O40 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0792","0.058","","","0.1607","0.18","","","","","","1.101","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247125","25.939","0.004","11.003","0.002","13.505","0.002","90","","90","","90","","3854.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H41.512 K N10 O26.256 P4 -","- C80 H166.048 K4 N40 O105.024 P16 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","0.71073","MoKα","","0.0395","0.0348","","","0.0876","0.0896","","","","","","1.045","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247126","28.31","0.005","10.412","0.002","6.2855","0.001","90","","90","","90","","1852.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H18 K N5 O12 P2 -","- C10 H18 K N5 O12 P2 -","- C40 H72 K4 N20 O48 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.54184","CuKα","","0.0392","0.0381","","","0.1006","0.1011","","","","","","1.062","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247127","10.645","0.003","21.957","0.008","8.674","0.003","90","","91.131","0.011","90","","2027","1.2","296","2","295.85","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1677","0.0634","","","0.1191","0.1633","","","","","","1.001","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247128","7.2928","0.0005","17.0257","0.0009","25.6078","0.0016","90","","90","","90","","3179.6","0.3","296","2","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C120 H120 N24 O48 -","8","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1387","0.0575","","","0.1285","0.1771","","","","","","1.007","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247129","11.9068","0.0017","4.8812","0.0007","22.718","0.004","90","","94.231","0.004","90","","1316.8","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","2","","Su, Yu; Wang, Chengyi; Chen, Qipeng; Zhu, Yuanli; Deng, Shaomin; Yang, Shoujin; Jin, Ronghua; Liu, Guohua","Harmonization of an incompatible aqueous aldol condensation/oxa-Michael addition/reduction cascade process over a core–shell-structured thermoresponsive catalyst","Green Chemistry","2023","25","17","6859","6868","10.1039/D3GC01670F","","","0.71073","MoKα","","0.1491","0.0702","","","0.1558","0.2035","","","","","","1.041","","","","has coordinates,has disorder","286138","2023-09-05","19:56:41",""
"7247130","11.8864","0.0006","17.0353","0.0006","13.0083","0.0005","90","","93.201","0.004","90","","2629.92","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N3 O6 P S2 -","- C21 H36 N3 O6 P S2 -","- C84 H144 N12 O24 P4 S8 -","4","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0989","0.0597","","","0.1056","0.1199","","","","","","1.052","","","","has coordinates","285432","2023-08-03","00:00:26",""
"7247131","9.9148","0.0006","10.94","0.0006","14.0426","0.0007","83.162","0.004","71.761","0.005","64.421","0.006","1304.63","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C48 H78 N4 O12 P2 S2 -","2","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0533","0.0416","","","0.0943","0.1032","","","","","","1.04","","","","has coordinates","285432","2023-08-03","00:00:26",""
"7247132","12.7772","0.0002","13.5168","0.0002","13.6871","0.0002","90","","94.199","0.001","90","","2357.51","0.06","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 N2 O6 P S -","- C20 H33 N2 O6 P S -","- C80 H132 N8 O24 P4 S4 -","4","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","1.54184","CuKα","","0.0846","0.078","","","0.2175","0.2255","","","","","","1.048","","","","has coordinates,has disorder","285432","2023-08-03","00:00:26",""
"7247133","8.906","0.0003","12.7308","0.0004","13.1186","0.0004","73.251","0.003","76.379","0.003","73.533","0.003","1346.58","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H41 N2 O7 P S -","- C24 H41 N2 O7 P S -","- C48 H82 N4 O14 P2 S2 -","2","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.039","0.033","","","0.0819","0.086","","","","","","1.024","","","","has coordinates","285432","2023-08-03","00:00:27",""
"7247134","15.5581","0.0005","16.4388","0.0005","19.924","0.0005","94.181","0.002","98.983","0.002","90.241","0.002","5019.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H33 N2 O6 P S -","- C20 H33 N2 O6 P S -","- C160 H264 N16 O48 P8 S8 -","8","4","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.1386","0.068","","","0.1662","0.2105","","","","","","1.022","","","","has coordinates,has disorder","285432","2023-08-03","00:00:27",""
"7247135","9.2861","0.0006","11.2061","0.0009","12.362","0.0006","103.022","0.005","100.213","0.005","102.017","0.006","1191.44","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H35 N2 O6 P S -","- C21 H35 N2 O6 P S -","- C42 H70 N4 O12 P2 S2 -","2","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0915","0.0702","","","0.182","0.2123","","","","","","1.05","","","","has coordinates,has disorder","285432","2023-08-03","00:00:27",""
"7247136","18.2265","0.0002","14.9162","0.0002","19.3281","0.0002","90","","91.281","0.001","90","","5253.42","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C192 H312 N16 O48 P8 S8 -","8","2","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","1.54184","CuKα","","0.0537","0.0447","","","0.111","0.1191","","","","","","1.029","","","","has coordinates,has disorder","285432","2023-08-03","00:00:27",""
"7247137","48.4808","0.0011","12.1659","0.0006","18.9571","0.0005","90","","96.648","0.002","90","","11106","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H76 N4 O12 P2 S2 -","- C51 H76 N4 O12 P2 S2 -","- C408 H608 N32 O96 P16 S16 -","8","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","1.54184","CuKα","","0.1001","0.0687","","","0.1777","0.2005","","","","","","1.031","","","","has coordinates,has disorder","285432","2023-08-03","00:00:27",""
"7247138","9.046","0.0003","10.9706","0.0004","13.8583","0.0003","86.282","0.002","87.202","0.002","79.542","0.003","1348.64","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 N2 O6 P S -","- C25 H37 N2 O6 P S -","- C50 H74 N4 O12 P2 S2 -","2","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0519","0.0417","","","0.1033","0.1105","","","","","","1.029","","","","has coordinates,has disorder","285432","2023-08-03","00:00:27",""
"7247139","10.258","0.0005","17.1642","0.0005","14.6705","0.0004","90","","90.482","0.003","90","","2582.95","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N2 O6 P S -","- C24 H35 N2 O6 P S -","- C96 H140 N8 O24 P4 S4 -","4","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.1065","0.0782","","","0.2331","0.291","","","","","","1.107","","","","has coordinates","285432","2023-08-03","00:00:27",""
"7247140","11.3325","0.0001","14.4994","0.0002","16.6241","0.0002","90","","93.009","0.001","90","","2727.81","0.06","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C96 H156 N8 O24 P4 S4 -","4","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0574","0.0425","","","0.1002","0.1088","","","","","","1.043","","","","has coordinates","285432","2023-08-03","00:00:27",""
"7247141","8.8287","0.0004","10.6334","0.0006","14.2157","0.0007","109.022","0.005","90.103","0.004","99.548","0.004","1241.97","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H35 N2 O6 P S -","- C21 H35 N2 O6 P S -","- C42 H70 N4 O12 P2 S2 -","2","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0603","0.0431","","","0.0934","0.1023","","","","","","1.024","","","","has coordinates","285432","2023-08-03","00:00:27",""
"7247142","9.3831","0.0003","26.8231","0.0006","11.5306","0.0003","90","","107.972","0.003","90","","2760.47","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N2 O6 P S -","- C25 H37 N2 O6 P S -","- C100 H148 N8 O24 P4 S4 -","4","1","","Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate","α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00286A","","","0.71073","MoKα","","0.0632","0.0464","","","0.1011","0.111","","","","","","1.061","","","","has coordinates,has disorder","285432","2023-08-03","00:00:27",""
"7247143","3.8278","0.0003","17.1899","0.0006","26.2562","0.0009","90","","90","","90","","1727.64","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 B N3 O3 -","- C20 H17 B N3 O3 -","- C80 H68 B4 N12 O12 -","4","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0923","0.0539","","","0.125","0.1457","","","","","","1.009","","","","has coordinates","285435","2023-08-03","01:22:26",""
"7247144","7.1497","0.0003","8.7492","0.0004","13.6709","0.0006","97.158","0.004","96.96","0.003","95.413","0.004","837.04","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 B N3 O2 -","- C19 H14 B N3 O2 -","- C38 H28 B2 N6 O4 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1235","0.0559","","","0.1385","0.1769","","","","","","1.004","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247145","11.084","0.0008","7.3311","0.0005","21.0913","0.0013","90","","99.007","0.006","90","","1692.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 B N2 O2 -","- C20 H15 B N2 O2 -","- C80 H60 B4 N8 O8 -","4","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1089","0.0514","","","0.1172","0.1528","","","","","","1.007","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247146","14.8728","0.0007","3.8786","0.0002","15.4857","0.0008","90","","115.182","0.005","90","","808.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 B N3 O2 -","- C19 H14 B N3 O2 -","- C38 H28 B2 N6 O4 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0793","0.0579","","","0.1394","0.1579","","","","","","1.007","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247147","8.2777","0.0005","7.1087","0.0004","19.6723","0.0009","90","","95.218","0.002","90","","1152.79","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 B2 N6 O4 -","- C24 H20 B2 N6 O4 -","- C48 H40 B4 N12 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0582","0.0457","","","0.1132","0.1249","","","","","","1.005","","","","has coordinates,has disorder","285435","2023-08-03","01:22:27",""
"7247148","3.9427","0.0002","22.693","0.0009","14.9291","0.0006","90","","93.421","0.007","90","","1333.35","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 B2 N4 O4 -","- C28 H26 B2 N4 O4 -","- C56 H52 B4 N8 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.117","0.0601","","","0.1375","0.1699","","","","","","1.002","","","","has coordinates,has disorder","285435","2023-08-03","01:22:27",""
"7247149","8.4431","0.0005","7.3205","0.0004","19.6867","0.0009","90","","93.592","0.004","90","","1214.4","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","- C52 H44 B4 N8 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.082","0.0465","","","0.1059","0.1278","","","","","","1.002","","","","has coordinates,has disorder","285435","2023-08-03","01:22:27",""
"7247150","3.8043","0.0003","22.3944","0.0013","14.7329","0.0008","90","","94.107","0.006","90","","1251.95","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 B2 N6 O4 -","- C26 H24 B2 N6 O4 -","- C52 H48 B4 N12 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0856","0.0584","","","0.1413","0.1601","","","","","","1.006","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247151","3.8665","0.0002","11.5022","0.0005","15.8177","0.0008","77.285","0.002","86.962","0.004","87.577","0.005","684.91","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 B2 N4 O6.78 -","- C26 H22 B2 N4 O7 -","- C26 H22 B2 N4 O7 -","1","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1404","0.0738","","","0.1975","0.2325","","","","","","1.008","","","","has coordinates","285435","2023-08-03","01:22:28",""
"7247152","8.8653","0.0003","9.0872","0.0004","12.2227","0.0005","105.549","0.001","108.761","0.003","90.865","0.006","892.67","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 B N5 O3 -","- C17 H16 B N5 O3 -","- C34 H32 B2 N10 O6 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1094","0.0552","","","0.1422","0.1796","","","","","","1.005","","","","has coordinates,has disorder","285435","2023-08-03","01:22:28",""
"7247153","7.547","0.0004","11.5173","0.0007","11.9183","0.0008","99.982","0.005","102.829","0.004","105.296","0.007","944.22","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 B N3 O3 -","- C19 H20 B N3 O3 -","- C38 H40 B2 N6 O6 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1079","0.0645","","","0.1651","0.1955","","","","","","1.002","","","","has coordinates,has disorder","285435","2023-08-03","01:22:28",""
"7247154","7.4176","0.0005","7.5344","0.0005","13.4049","0.0009","94.585","0.002","101.837","0.002","115.88","0.002","647.36","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0484","0.0392","","","0.1092","0.1154","","","","","","1.045","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247155","17.3245","0.0007","4.8311","0.0002","18.3867","0.0008","90","","107.778","0.002","90","","1465.41","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0646","0.0412","","","0.0896","0.1035","","","","","","1.058","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247156","10.40289","0.00006","6.00012","0.00003","7.72969","0.00005","90","","117.197","0.0004","90","","429.134","0.005","293","","293","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","K5Yb0.3Eu0.7(MoO4)4","","","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Zonov, Egor M.; Deyneko, Dina V.; Spassky, Dmitry A.; Fedyunin, Fedor D.; Belik, Alexei A.; Pavlova, Erzhena T.; Vasin, Andrey A.; Lazoryak, Bogdan I.","K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties","CrystEngComm","2023","25","34","4822","4833","10.1039/D3CE00401E","powder diffraction","x-ray","0.65297","synchrotron","","0.0314","0.0313","","0.0391","0.0391","","","","6.01","","","","","","","has coordinates","286119","2023-09-05","19:43:20",""
"7247157","18.182","0.002","7.2741","0.0007","9.8478","0.001","90","","91.34","0.004","90","","1302.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Br4 N2 Pd -","- C4 H16 Br4 N2 Pd -","- C16 H64 Br16 N8 Pd4 -","4","0.5","","Trabelsi, Kawther; Drissi, Nidhal; Hajlaoui, Fadhel; Zighrioui, Mustapha; Rhaiem, Abdallah; Audebrand, Nathalie; Roisnel, Thierry; Karim, Karoui","[(CH3)2NH2]2PdBr4, a layered hybrid halide perovskite semiconductor with improved optical and electrical properties","RSC Advances","2023","13","33","23348","23358","10.1039/D3RA04085B","","","0.71073","MoKα","","0.0646","0.0535","","","0.1287","0.1377","","","","","","1.117","","","","has coordinates","285456","2023-08-05","01:09:06",""
"7247158","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","285457","2023-08-05","01:11:36",""
"7247159","22.6125","0.0009","27.8441","0.0009","20.3747","0.0007","90","","100.896","0.002","90","","12597.1","0.8","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C192 H246 Cu4 F24 N41 Na O72 Rh8 S8 -","- C180 H208 Cu4 F12 N41 Na O52 Rh8 S4 -","- C360 H416 Cu8 F24 N82 Na2 O104 Rh16 S8 -","2","0.25","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.0994","0.0907","","","0.271","0.2829","","","","","","1.071","","","","has coordinates,has disorder","285457","2023-08-05","01:11:37",""
"7247160","21.8833","0.001","35.6653","0.0018","19.6102","0.0009","90","","96.638","0.002","90","","15202.7","1.2","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C178 H248 Cu4 F18 N32 Na2 O102 Rh8 S6 -","- C166 H180 Cu4 F18 N28 Na2 O50 Rh8 S6 -","- C332 H360 Cu8 F36 N56 Na4 O100 Rh16 S12 -","2","0.25","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.1495","0.1172","","","0.3252","0.3524","","","","","","1.235","","","","has coordinates,has disorder","285457","2023-08-05","01:11:37",""
"7247161","33.6001","0.0009","33.6001","0.0009","33.6001","0.0009","90","","90","","90","","37933.4","1.8","150","2","150","2","","","","","","","","9","I m -3","-I 2 2 3","204","","","","- C194 H244 Cu4 F30 N28 Na2 O82 Rh8 S10 -","- C181.333 H152 Cu4 F16 N28 Na2 O52 Rh8 S5.33333 -","- C1088 H912 Cu24 F96 N168 Na12 O312 Rh48 S32 -","6","0.125","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.053","0.0488","","","0.1526","0.1585","","","","","","1.087","","","","has coordinates","285457","2023-08-05","01:11:37",""
"7247162","49.07","0.002","16.2215","0.0006","40.1203","0.0016","90","","106.9","0.002","90","","30556","2","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C182 H232 Cu4 F24 N44 Na2 O82 Rh8 S8 -","- C178 H192 Cu4 F12 N42 Na2 O60 Rh8 S4 -","- C712 H768 Cu16 F48 N168 Na8 O240 Rh32 S16 -","4","0.5","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.1201","0.0972","","","0.2602","0.2798","","","","","","1.027","","","","has coordinates","285457","2023-08-05","01:11:37",""
"7247163","8.1405","0.0002","12.0603","0.0003","14.974","0.0004","70.718","0.002","85.026","0.002","83.285","0.002","1376.3","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2,3,4,5,6-pentafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","1","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0496","0.0424","","","0.1011","0.1057","","","","","","1.086","","","","has coordinates","286738","2023-10-06","00:05:45",""
"7247164","14.2789","0.0003","16.8821","0.0004","12.1517","0.0003","90","","96.37","0.002","90","","2911.18","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoate-tin-tetraiodoporphrin","","","- C64 H44 F2 I4 N4 O4 Sn -","- C64 H44 F2 I4 N4 O4 Sn -","- C128 H88 F4 I8 N8 O8 Sn2 -","2","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0559","0.045","","","0.1334","0.139","","","","","","1.059","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247165","21.2268","0.0007","15.2917","0.0005","18.6929","0.0005","90","","94.748","0.003","90","","6046.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2,4,6-trifluorobenzoate-tin-tetraiodoporphrin","","","- C64 H40 F6 I4 N4 O4 Sn -","- C64 H40 F6 I4 N4 O4 Sn -","- C256 H160 F24 I16 N16 O16 Sn4 -","4","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0655","0.0542","","","0.1614","0.1709","","","","","","1.073","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247166","12.5134","0.0004","39.2235","0.0008","12.3836","0.0003","90","","103.376","0.003","90","","5913.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,6-difluorobenzoate-tin-tetraiodoporphrin","","","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C236 H124 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0656","0.0554","","","0.1711","0.1791","","","","","","1.07","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247167","12.5356","0.0003","40.7661","0.0008","12.4757","0.0003","90","","102.912","0.002","90","","6214.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,4-difluorobenzoate-tin-tetraiodoporphrin","","","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C260 H172 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0682","0.0569","","","0.159","0.1658","","","","","","1.022","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247168","15.5029","0.0003","19.537","0.0004","22.8054","0.0004","90","","102.773","0.002","90","","6736.4","0.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","2,3,5,6-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C70 H50 F8 I4 N4 O4 Sn -","- C70 H50 F8 I4 N4 O4 Sn -","- C280 H200 F32 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.04","0.0349","","","0.098","0.1019","","","","","","1.045","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247169","10.6659","0.0001","24.8734","0.0004","30.8319","0.0004","90","","92.536","0.001","90","","8171.61","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2,3,4,5-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H26 F8 I4 N4 O4 Sn -","- C58 H26 F8 I4 N4 O4 Sn -","- C348 H156 F48 I24 N24 O24 Sn6 -","6","1.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0844","0.0648","","","0.2008","0.2147","","","","","","1.078","","","","has coordinates","286738","2023-10-06","00:05:46",""
"7247170","11.1507","0.0006","11.742","0.0006","14.0683","0.0007","73.932","0.005","85.67","0.004","84.591","0.004","1759.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N20 O2 Pb3 -","- C26 H22 N20 O2 Pb3 -","- C52 H44 N40 O4 Pb6 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Eftekhari-Sis, Bagher; Mitoraj, Mariusz P.; Sagan, Filip; Safin, Damir A.","Tetrel bonding stabilization of a new coordination polymer constructed from lead(ii) azide and 1-(pyridin-2-yl)ethylidenepicolinohydrazide","CrystEngComm","2023","25","36","5100","5108","10.1039/D3CE00596H","","","0.71073","MoKα","","0.0927","0.0629","","","0.1359","0.1498","","","","","","1.086","","","","has coordinates","286732","2023-10-06","00:04:42",""
"7247171","7.3455","0.0007","10.4021","0.0009","12.8273","0.001","96.431","0.007","92.558","0.007","101.886","0.008","950.75","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu2 N4 O14 -","- C42 H36 Cu2 N4 O14 -","- C42 H36 Cu2 N4 O14 -","1","0.5","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0544","0.0439","","","0.1158","0.1242","","","","","","1.061","","","","has coordinates","285581","2023-08-08","01:21:43",""
"7247172","8.8603","0.0003","17.4505","0.0005","12.4228","0.0004","90","","97.718","0.003","90","","1903.37","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Co N2 O7 -","- C19 H18 Co N2 O7 -","- C76 H72 Co4 N8 O28 -","4","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54184","CuKα","","0.0497","0.0378","","","0.0937","0.0995","","","","","","1.079","","","","has coordinates","285581","2023-08-08","01:21:54",""
"7247173","38.823","0.004","10.4967","0.0008","18.7612","0.0012","90","","105.531","0.008","90","","7366.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Mn2 N4 O10 -","- C42 H28 Mn2 N4 O10 -","- C336 H224 Mn16 N32 O80 -","8","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54184","CuKα","","0.1554","0.0806","","","0.1956","0.2689","","","","","","0.988","","","","has coordinates","285581","2023-08-08","01:21:58",""
"7247174","9.3015","0.0005","10.1706","0.0006","10.2299","0.0005","68.453","0.005","81.292","0.004","67.661","0.005","832.5","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cd N O8 -","- C14 H17 Cd N O8 -","- C28 H34 Cd2 N2 O16 -","2","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0364","0.0353","","","0.0951","0.0969","","","","","","1.03","","","","has coordinates","285581","2023-08-08","01:22:00",""
"7247175","16.0459","0.0006","12.032","0.0004","19.4535","0.0009","90","","105.9","0.004","90","","3612.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Co N2 O5 -","- C19 H16 Co N2 O5 -","- C152 H128 Co8 N16 O40 -","8","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0569","0.0421","","","0.1028","0.1132","","","","","","1.048","","","","has coordinates","285581","2023-08-08","01:22:11",""
"7247176","10.0273","0.001","10.0728","0.0009","10.705","0.0014","74.711","0.009","66.547","0.011","76.12","0.008","945.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Co N2 O5 -","- C19 H14 Co N2 O5 -","- C38 H28 Co2 N4 O10 -","2","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0639","0.0536","","","0.1351","0.1439","","","","","","1.017","","","","has coordinates","285581","2023-08-08","01:22:12",""
"7247177","17.0535","0.0006","10.0663","0.0004","6.9926","0.0002","90","","91.543","0.003","90","","1199.95","0.07","296.89","0.15","296.89","0.15","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H28 Co Li N8 O14 -","- C14 H26 Co Li N8 O14 -","- C28 H52 Co2 Li2 N16 O28 -","2","0.5","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1025","0.0967","","","0.274","0.2827","","","","","","1.09","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247178","9.9786","0.0003","9.9786","0.0003","7.0265","0.0003","90","","90","","120","","605.91","0.04","350","15","350","15","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C14 H28 Co Li N8 O14 -","- C5.9994 Co Li N7.9998 O13.9998 -","- C5.9994 Co Li N7.9998 O13.9998 -","1","0.166667","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1227","0.115","","","0.2907","0.2977","","","","","","1.332","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247179","5.3766","0.0003","8.7055","0.0005","15.6819","0.0008","90","","99.722","0.002","90","","723.47","0.07","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C32 H28 Cl4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0243","0.0243","","","0.0639","0.0639","","","","","","1.057","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247180","5.5678","0.0002","8.7473","0.0004","15.6491","0.0007","90","","98.8027","0.0014","90","","753.18","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C32 H28 Br4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0215","0.0215","","","0.056","0.0561","","","","","","1.119","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247181","15.0686","0.0006","9.1426","0.0004","10.3068","0.0004","90","","93.7551","0.0013","90","","1416.88","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0543","0.0421","","","0.0865","0.0944","","","","","","1.138","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247182","9.3239","0.0007","10.3551","0.0007","30.346","0.002","90","","90","","90","","2929.9","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C128 H112 Br16 N16 -","8","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0476","0.0319","","","0.0583","0.0627","","","","","","1.076","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247183","9.3875","0.0002","5.3588","0.0001","34.5503","0.0007","90","","92.723","0.002","90","","1736.12","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethoxy-m-bisazobenzene","","","- C40 H36 N8 O4 -","- C40 H36 N8 O4 -","- C80 H72 N16 O8 -","2","1","","Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo","Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density","RSC Advances","2023","13","34","24031","24037","10.1039/D3RA04595A","","x-ray","0.71073","MoKα","","0.0395","0.036","","","0.0983","0.0998","","","","","","1.125","","","","has coordinates","285615","2023-08-11","00:57:38",""
"7247184","7.109","0.0001","6.3535","0.0001","23.47","0.0006","90","","95.487","0.002","90","","1055.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","1","","Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo","Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density","RSC Advances","2023","13","34","24031","24037","10.1039/D3RA04595A","","x-ray","0.71073","MoKα","","0.0444","0.0412","","","0.1151","0.118","","","","","","0.923","","","","has coordinates","285615","2023-08-11","00:57:38",""
"7247185","5.3204","0.0002","13.5037","0.0009","43.718","0.002","82.294","0.005","89.769","0.004","89.83","0.004","3112.5","0.3","105","7","105","7","","","","","","","","6","P -1","-P 1","2","","","","- C51 H108 N3 Na O15 S3 -","- C51 H108 N3 Na O15 S3 -","- C102 H216 N6 Na2 O30 S6 -","2","1","","Arul Prakash, Sukanya; Chinapaka, Ravindar; John, Martin Luther; Dey, Somnath; Kamlekar, Ravi Kanth","Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol","CrystEngComm","2023","25","37","5286","5295","10.1039/D3CE00646H","","","0.71073","MoKα","","0.279","0.1111","","","0.2334","0.3161","","","","","","0.932","","","","has coordinates","286723","2023-10-06","00:02:24",""
"7247186","14.02999","0.00014","43.3663","0.0003","33.7009","0.0002","90","","94.381","0.0008","90","","20444.7","0.3","153","4","153","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd@pyridine","","- C116.5 H93.63 Cd4.67 N14.83 O28.5 -","- C116.5 H93.6333 Cd4.66667 N14.8333 O28.5 -","- C699 H561.8 Cd28 N89 O171 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0884","0.0788","","","0.2157","0.2264","","","","","","1.044","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247187","13.6817","0.0002","43.2808","0.0004","33.7646","0.0004","90","","95.3182","0.0014","90","","19907.8","0.4","154","7","154","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile","","- C142.2 H117.2 Cd6.8 N19.5 O48 -","- C142.2 H116.7 Cd6.8 N19.5 O48 -","- C568.8 H466.8 Cd27.2 N78 O192 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0906","0.0757","","","0.2108","0.228","","","","","","1.077","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247188","14.1427","0.0003","43.199","0.0006","33.7991","0.0004","90","","94.7053","0.0016","90","","20580","0.6","158","11","158","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1407","","- C173.5 H146.25 Cd7 N19.25 O46 -","- C173.5 H146.25 Cd7 N19.25 O46 -","- C694 H585 Cd28 N77 O184 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1102","0.0886","","","0.2398","0.2594","","","","","","1.034","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247189","13.9475","0.0002","43.3134","0.0004","33.5321","0.0004","90","","94.4569","0.0011","90","","20195.9","0.4","151","1","151","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tri(dimethlyformamide)-pentaaqua-hepta cadmium acetone","","- C117.39 H103.38 Cd5.6 N14.2 O39.66 -","- C117.392 H103.384 Cd5.6 N14.2 O39.656 -","- C586.96 H516.92 Cd28 N71 O198.28 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1078","0.084","","","0.22","0.2454","","","","","","1.031","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247190","14.68693","0.00011","42.8432","0.0003","33.8507","0.0002","90","","93.1111","0.0007","90","","21268.7","0.3","155","7","155","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1355","","- C115.44 H96.4 Cd5.6 N14.68 O39.2 -","- C113.52 H93.2 Cd5.6 N14.44 O39.2 -","- C567.6 H466 Cd28 N72.2 O196 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0878","0.0794","","","0.2327","0.2426","","","","","","1.029","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247191","14.615","0.0001","43.0674","0.0003","33.6023","0.0002","90","","93.676","0.001","90","","21106.8","0.2","137.4","0.6","137.4","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1363","","- C94.83 H81.86 Cd4 N10.57 O28.17 -","- C94.8286 H80.4286 Cd4 N10.5714 O28.1714 -","- C663.8 H563 Cd28 N74 O197.2 -","7","1.75","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0822","0.0759","","","0.208","0.2136","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247192","14.75582","0.00016","42.951","0.0003","33.8388","0.0003","90","","93.4415","0.0009","90","","21407.6","0.3","152","4","152","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1393","","- C123 H108.67 Cd4.67 N15 O27.67 -","- C123 H108.667 Cd4.66667 N15 O27.6667 -","- C738 H652 Cd28 N90 O166 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.104","0.0923","","","0.2409","0.2526","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247193","14.6954","0.0002","42.2913","0.0004","33.8929","0.0004","90","","91.649","0.001","90","","21055.3","0.4","149.4","0.8","149.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium dimethylformamide","","- C147.75 H0.25 Cd7 N20.75 O51.75 -","- C146.25 H135.25 Cd7 N20.25 O51.25 -","- C585 H541 Cd28 N81 O205 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0946","0.0751","","","0.2019","0.2235","","","","","","1.02","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247194","14.5221","0.0001","42.7754","0.0002","33.9548","0.0002","90","","93.429","0.001","90","","21054.6","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-penta(dimethlyformamide)-triaqua-hepta cadmium isopropanol","","- C106.46 H110.99 Cd4.67 N14.5 O36 -","- C106.467 H110.833 Cd4.66667 N14.5 O36 -","- C638.8 H665 Cd28 N87 O216 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1602","0.1673","","","","","","1.035","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247195","14.9412","0.0002","42.7238","0.0004","33.8725","0.0004","90","","93.6969","0.0014","90","","21577.3","0.4","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1386","","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C647 H524 Cd27.6 N102 O166.6 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.118","0.1101","","","0.2867","0.2931","","","","","","1.063","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247196","14.0589","0.00012","43.1549","0.0002","33.7222","0.0002","90","","94.5246","0.0007","90","","20395.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1410","","- C110.67 H81.33 Cd4.67 N12.67 O28.67 -","- C110.667 H81.3333 Cd4.66667 N12.6667 O28.6667 -","- C664 H488 Cd28 N76 O172 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0954","0.0797","","","0.2062","0.2236","","","","","","1.046","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247197","5.4248","0.0001","30.6105","0.0006","12.8838","0.0002","90","","94.772","0.001","90","","2132.01","0.07","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Gao, Yuzhen; Liu, Siqing; Su, Weiping","CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis","Green Chemistry","2023","25","18","7335","7343","10.1039/D3GC02326E","","","1.54178","CuKα","","0.0689","0.0583","","","0.1855","0.2147","","","","","","1.12","","","","has coordinates","286753","2023-10-06","00:19:30",""
"7247198","8.3269","0.0008","11.8421","0.0012","13.6257","0.0014","69.743","0.004","74.537","0.004","81.231","0.004","1212.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N O3 S -","- C30 H23 N O3 S -","- C60 H46 N2 O6 S2 -","2","1","","Gao, Yuzhen; Liu, Siqing; Su, Weiping","CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis","Green Chemistry","2023","25","18","7335","7343","10.1039/D3GC02326E","","","0.71073","MoKα","","0.145","0.0687","","","0.1731","0.2314","","","","","","1.257","","","","has coordinates","286753","2023-10-06","00:19:30",""
"7247199","23.0076","0.0002","7.7676","0.0001","18.0741","0.0002","90","","99.883","0.001","90","","3182.16","0.06","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","1","","Gao, Yuzhen; Liu, Siqing; Su, Weiping","CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis","Green Chemistry","2023","25","18","7335","7343","10.1039/D3GC02326E","","","1.54178","CuKα","","0.0446","0.0421","","","0.1104","0.1145","","","","","","1.104","","","","has coordinates","286753","2023-10-06","00:19:30",""
"7247200","8.3198","0.0002","9.8246","0.0002","14.0426","0.0003","90","","90","","90","","1147.82","0.04","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","OIS-S-2021-152","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Seo, Ye Ji; Kim, Eunsil; Oh, In Seok; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun","Intramolecular cyclization of N-cyano sulfoximines by N–CN bond activation","RSC Advances","2023","13","35","24445","24449","10.1039/D3RA04208A","","","0.71073","MoKα","","0.0293","0.0287","","","0.0777","0.078","","","","","","1.034","","","","has coordinates","285654","2023-08-15","01:09:07",""
"7247201","36.833","0.005","10.295","0.0014","20.105","0.003","90","","102.065","0.006","90","","7455.3","1.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Cd3 N6 O36 -","- C52 H52 Cd3 N6 O36 -","- C208 H208 Cd12 N24 O144 -","4","0.5","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1367","0.0896","","","0.2264","0.2476","","","","","","1.34","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247202","30.4107","0.0013","30.4107","0.0013","30.414","","90","","90","","90","","28127.2","1.7","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H276 Cu24 N30 O144 -","- C320 H312 Cu24 N40 O144 -","- C640 H624 Cu48 N80 O288 -","2","0.125","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1298","0.0585","","","0.1609","0.2118","","","","","","1.182","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247203","16.0415","0.001","6.6425","0.0004","44.992","0.003","90","","90","","90","","4794.2","0.5","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C224 H200 N8 O56 -","8","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","0.71073","MoKα","","0.0878","0.067","","","0.1828","0.196","","","","","","1.07","","","","has coordinates,has disorder","286734","2023-10-06","00:04:56",""
"7247204","18.9053","0.0006","8.2831","0.0002","20.9395","0.0005","90","","98.594","0.002","90","","3242.19","0.15","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C156 H128 N8 O28 -","4","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","1.54178","CuKα","","0.0604","0.0566","","","0.1742","0.1822","","","","","","1.127","","","","has coordinates","286734","2023-10-06","00:04:57",""
"7247205","18.4305","0.0012","3.7948","0.0002","25.3173","0.0015","90","","90","","90","","1770.69","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 O2 -","- C12 H7 O2 -","- C96 H56 O16 -","8","2","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1136","0.1031","","","0.2383","0.2563","","","","","","1.103","","","","has coordinates,has disorder","286727","2023-10-06","00:03:10",""
"7247206","4.1607","0.0002","14.3681","0.0005","16.2365","0.0005","70.813","0.003","88.318","0.003","83.695","0.003","911.15","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0317","0.0261","","","0.0611","0.0637","","","","","","1.076","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247207","29.444","0.0008","8.5268","0.0002","18.3966","0.0005","90","","91.377","0.003","90","","4617.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F4 I2 N2 -","- C26 H14 F4 I2 N2 -","- C208 H112 F32 I16 N16 -","8","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0217","0.0189","","","0.0469","0.0479","","","","","","1.041","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247208","7.4786","0.0008","8.5409","0.0007","14.6445","0.0011","75.696","0.009","77.44","0.01","88.124","0.008","884.49","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0505","0.04","","","0.1213","0.1316","","","","","","1.078","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247209","4.22529","0.00016","34.4499","0.0015","21.9267","0.001","90","","91.425","0.004","90","","3190.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F8 I4 N2 -","- C32 H14 F8 I4 N2 -","- C128 H56 F32 I16 N8 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0404","0.0283","","","0.0543","0.0582","","","","","","1.026","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247210","34.3394","0.0016","7.4235","0.0003","19.2266","0.001","90","","90","","90","","4901.2","0.4","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H14 F3 I3 N2 -","- C26 H14 F3 I3 N2 -","- C208 H112 F24 I24 N16 -","8","0.5","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0315","0.0252","","","0.0588","0.0631","","","","","","1.051","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247211","18.2877","0.0005","30.6219","0.0007","28.2054","0.001","90","","98.227","0.003","90","","15632.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H64 F24 I24 O16 -","- C144 H64 F24 I24 O16 -","- C576 H256 F96 I96 O64 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1232","0.0665","","","0.139","0.1725","","","","","","1.118","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247212","7.804","0.011","10.261","0.014","11.611","0.016","100.605","0.013","102.623","0.013","94.906","0.013","884","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Pathak, Debabrat; Kalita, Bikash Kumar; Sarmah, Ashish; Sharma, Himanshu; Bora, Bidisha; Goswami, Tridib K.; Sarma, Bipul","Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution","Green Chemistry","2023","25","19","7642","7652","10.1039/D3GC02172F","","","0.71073","MoKα","","0.1034","0.0569","","","0.1359","0.1647","","","","","","0.982","","","","has coordinates","286752","2023-10-06","00:19:10",""
"7247213","14.183","0.003","12.855","0.003","8.8411","0.0019","90","","98.111","0.006","90","","1595.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Pathak, Debabrat; Kalita, Bikash Kumar; Sarmah, Ashish; Sharma, Himanshu; Bora, Bidisha; Goswami, Tridib K.; Sarma, Bipul","Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution","Green Chemistry","2023","25","19","7642","7652","10.1039/D3GC02172F","","","0.71073","MoKα","","0.0659","0.0425","","","0.1037","0.1161","","","","","","1.037","","","","has coordinates","286752","2023-10-06","00:19:17",""
"7247214","10.699","0.009","24.611","0.019","11.444","0.009","90","","112.405","0.019","90","","2786","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","Pathak, Debabrat; Kalita, Bikash Kumar; Sarmah, Ashish; Sharma, Himanshu; Bora, Bidisha; Goswami, Tridib K.; Sarma, Bipul","Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution","Green Chemistry","2023","25","19","7642","7652","10.1039/D3GC02172F","","","0.71073","MoKα","","0.1156","0.0693","","","0.1619","0.1997","","","","","","1.05","","","","has coordinates","286752","2023-10-06","00:19:17",""
"7247215","24.7312","0.0008","24.7312","0.0008","9.56","0.0003","90","","90","","120","","5063.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H14 Co0.5 N O3 -","- C9 H14 Co0.5 N O3 -","- C162 H252 Co9 N18 O54 -","18","1","","Tanwar, Deepika; Jain, Priya; Ahluwalia, Deepali; Sudheendranath, Athul; Thomas, Sajesh P.; Ingole, Pravin P.; Kumar, Umesh","A novel cobalt(ii) acetate complex bearing lutidine ligand: a promising electrocatalyst for oxygen evolution reaction","RSC Advances","2023","13","35","24450","24459","10.1039/D3RA04709A","","","0.71073","MoKα","","0.0438","0.0337","","","0.0825","0.0883","","","","","","1.058","","","","has coordinates","285782","2023-08-16","01:15:21",""
"7247216","10.5137","0.0004","5.4852","0.0002","10.3155","0.0004","90","","110.873","0.002","90","","555.85","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C20 H20 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","x-ray","1.54178","CuKα","","0.0574","0.0406","","","0.1018","0.1134","","","","","","1.036","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247217","9.5647","0.0002","4.6961","0.0001","13.7344","0.0003","90","","97.14","0.001","90","","612.12","0.02","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0432","0.0404","","","0.112","0.1157","","","","","","1.045","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247218","20.0136","0.0006","8.2017","0.0003","9.831","0.0003","90","","90","","90","","1613.71","0.09","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","malonamide-DMSO solvate","N1,N3-bis (5-methylisoxazol-3-yl)malonamide","","- C13 H18 N4 O5 S -","- C13 H18 N4 O5 S -","- C52 H72 N16 O20 S4 -","4","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0366","0.0347","","","0.0965","0.0985","","","","","","1.067","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247219","4.9247","0.0002","9.8219","0.0005","12.0712","0.0006","88.35","0.002","82.491","0.001","88.948","0.002","578.57","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","0.71073","MoKα","","0.0377","0.0355","","","0.087","0.0885","","","","","","1.062","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247220","11.135","0.002","19.665","0.004","21.122","0.004","106.71","0.03","102.08","0.03","104.65","0.03","4082","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 Cl4 N4 O9 Zn2 -","- C88 H88 Cl4 N4 O9 Zn2 -","- C176 H176 Cl8 N8 O18 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.74","synchrotron","","0.1295","0.0669","","","0.2005","0.2321","","","","","","0.871","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247221","6.0205","0.001","18.3","0.003","23.836","0.004","90","","91.674","0.005","90","","2625","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Cl4 N6 O2 Zn2 -","- C58 H52 Cl4 N6 O2 Zn2 -","- C116 H104 Cl8 N12 O4 Zn4 -","2","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.0661","0.0451","","","0.1054","0.1173","","","","","","1.05","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247222","13.164","0.003","17.894","0.004","21.651","0.004","76.66","0.03","72.73","0.03","85.85","0.03","4739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","1","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.63","synchrotron","","0.0868","0.0757","","","0.2352","0.2431","","","","","","1.163","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247223","13.7962","0.0011","17.9965","0.0012","20.997","0.0015","75.579","0.004","72.959","0.005","88.789","0.005","4819.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 Cl4 N4 O4 Zn2 -","- C100 H88 Cl4 N4 O4 Zn2 -","- C200 H176 Cl8 N8 O8 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.2581","0.132","","","0.3165","0.4546","","","","","","1.086","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247224","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.0583","0.0508","","","0.1302","0.134","","","","","","1.001","","","","has coordinates","286725","2023-10-06","00:02:46",""
"7247225","8.0176","0.0006","8.0176","0.0006","15.1832","0.0012","90","","90","","120","","845.25","0.11","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.1271","0.1164","","","0.3415","0.3539","","","","","","1.002","","","","has coordinates","286725","2023-10-06","00:02:47",""
"7247226","10.101","0.005","14.304","0.007","15.831","0.008","97.26","0.03","96.87","0.03","109.19","0.03","2111","1.9","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C H Cl N Ni O -","- C4.1 H4 Cl0.1 N0.6 Ni0.1 O0.7 -","- C82 H80 Cl2 N12 Ni2 O14 -","20","20","","Ajaykamal, Tamilarasan; Palaniandavar, Mallayan","Mononuclear nickel(ii)–flavonolate complexes of tetradentate tripodal 4N ligands as structural and functional models for quercetin 2,4-dioxygenase: structures, spectra, redox and dioxygenase activity","RSC Advances","2023","13","35","24674","24690","10.1039/D3RA04834A","","","0.71073","MoKα","","0.2917","0.142","","","0.3222","0.3963","","","","","","1.181","","","","has coordinates","285819","2023-08-19","01:07:15",""
"7247227","8.741","0.0018","11.275","0.003","18.489","0.004","79.476","0.015","79.222","0.013","68.785","0.014","1655.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Ni-tpa-fla, [Ni(L2)(fla)]ClO4,","[Ni(tpa)(fla)]ClO4","","- C33 H27 Cl N4 Ni O9 -","- C33 H27 Cl N4 Ni O9 -","- C66 H54 Cl2 N8 Ni2 O18 -","2","1","","Ajaykamal, Tamilarasan; Palaniandavar, Mallayan","Mononuclear nickel(ii)–flavonolate complexes of tetradentate tripodal 4N ligands as structural and functional models for quercetin 2,4-dioxygenase: structures, spectra, redox and dioxygenase activity","RSC Advances","2023","13","35","24674","24690","10.1039/D3RA04834A","","","0.71073","MoKα","","0.2201","0.0875","","","0.2252","0.3004","","","","","","0.978","","","","has coordinates","285819","2023-08-19","01:07:16",""
"7247228","7.8341","0.0005","10.1533","0.0006","14.2642","0.0009","90","","90","","90","","1134.6","0.12","293","10","293","10","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Br3 F N Pb -","- C5 H11 Br3 F N Pb -","- C20 H44 Br12 F4 N4 Pb4 -","4","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","x-ray","0.71073","MoKα","","0.079","0.0658","","","0.1615","0.1687","","","","","","1.011","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247229","12.205","0.0003","12.205","0.0003","51.295","0.003","90","","90","","90","","7641","0.5","293","2","293","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Br8 F8 N4 Pb2 -","- C20 H40 Br8 F8 N4 Pb2 -","- C160 H320 Br64 F64 N32 Pb16 -","8","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","","0.71073","MoKα","","0.0979","0.071","","","0.1473","0.1575","","","","","","1.04","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247230","6.1745","0.0003","6.8716","0.0003","28.3078","0.0012","90","","96.189","0.004","90","","1194.06","0.09","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","0.5","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0453","0.041","","","0.0947","0.0958","","","","","","1.381","","","","has coordinates,has disorder","286735","2023-10-06","00:05:06",""
"7247231","6.0569","0.0001","6.933","0.0001","28.5038","0.0003","90","","90","","90","","1196.95","0.03","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0306","0.0306","","","0.0843","0.0843","","","","","","1.187","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247232","56.5791","0.001","6.894","0.0001","6.1018","0.0001","90","","90","","90","","2380.05","0.07","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0544","0.054","","","0.1193","0.1194","","","","","","1.375","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247233","55.8702","0.001","6.9161","0.0002","6.1083","0.0001","90","","90","","90","","2360.27","0.09","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.1201","0.1145","","","0.258","0.2599","","","","","","1.171","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247234","27.8584","0.0009","6.8627","0.0003","6.1547","0.0002","90","","95.84","0.003","90","","1170.57","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C52 H36 Br4 Cl4 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.075","0.0662","","","0.1266","0.1299","","","","","","1.174","","","","has coordinates,has disorder","286735","2023-10-06","00:05:07",""
"7247235","56.4542","0.0012","6.902","0.0002","6.1053","0.0001","90","","90","","90","","2378.91","0.09","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0431","0.0391","","","0.0958","0.0976","","","","","","1.116","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247236","8.4153","0.0018","12.608","0.003","14.891","0.003","92.688","0.007","97.266","0.007","94.691","0.007","1559.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H33 Br Cl N5 O2 -","- C34 H33 Br Cl N5 O2 -","- C68 H66 Br2 Cl2 N10 O4 -","2","1","","Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.","Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals","RSC Advances","2023","13","36","25054","25068","10.1039/D3RA04558G","","","0.71075","MoKα","","0.1608","0.0597","","","0.1512","0.1975","","","","","","0.924","","","","has coordinates","285844","2023-08-23","01:16:29",""
"7247237","11.52","0.0011","12.909","0.0015","21.274","0.002","90","","93.818","0.007","90","","3156.7","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Br2 N5 O2 -","- C34 H33 Br2 N5 O2 -","- C136 H132 Br8 N20 O8 -","4","1","","Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.","Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals","RSC Advances","2023","13","36","25054","25068","10.1039/D3RA04558G","","","0.71075","MoKα","","0.1537","0.0672","","","0.1541","0.1889","","","","","","0.973","","","","has coordinates","285844","2023-08-23","01:16:30",""
"7247238","12.653","0.003","8.4332","0.0016","28.374","0.005","90","","96.333","0.007","90","","3009.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Br N5 O2 -","- C34 H34 Br N5 O2 -","- C136 H136 Br4 N20 O8 -","4","1","","Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.","Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals","RSC Advances","2023","13","36","25054","25068","10.1039/D3RA04558G","","","0.71075","MoKα","","0.279","0.083","","","0.1484","0.2055","","","","","","0.962","","","","has coordinates","285844","2023-08-23","01:16:30",""
"7247239","6.3288","0.0005","7.701","0.0006","32.103","0.003","90","","90.396","0.002","90","","1564.6","0.2","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Br N2 -","- C16 H19 Br N2 -","- C64 H76 Br4 N8 -","4","1","","Vinayagamoorthy, Raji; Rani, Muthurakku Usha; Kalainathan, Sivaperuman; Anand, Sekar","A novel stilbazolium derivative crystals of 4-[2-(4-dimethyl amino-phenyl)-vinyl]-1-methyl-pyridinium+ bromide− (DMSB) single crystal: exploration of the growth, molecular structure, linear optical, and third order nonlinear properties","RSC Advances","2023","13","36","24867","24877","10.1039/D3RA04322C","","","0.71073","MoKα","","0.0837","0.0674","","","0.2068","0.2231","","","","","","1.066","","","","has coordinates","285845","2023-08-23","01:17:02",""
"7247240","6.7831","0.0001","23.8581","0.0003","23.5997","0.0003","90","","91.608","0.001","90","","3817.68","0.09","292.99","0.11","292.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N4 O4.5 Pt S -","- C17 H12 F3 N4 O4.5 Pt S -","- C136 H96 F24 N32 O36 Pt8 S8 -","8","2","","Li, Depeng; Guan, Qingqing; Hu, Xiaoyun; Su, Yuhong; Su, Zhen","Reversible and irreversible stimuli-responsive chromism of a square-planar platinum(ii) salt","RSC Advances","2023","13","36","24878","24886","10.1039/D3RA03554A","","x-ray","1.54184","CuKα","","0.0406","0.0364","","","0.1038","0.1063","","","","","","1.065","","","","has coordinates","285846","2023-08-23","01:17:37",""
"7247241","13.9994","0.001","19.0666","0.0015","6.7719","0.0005","90","","95.207","0.007","90","","1800.1","0.2","199.98","0.1","199.98","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H11 F3 N4 O4 Pt S -","- C17 H11 F3 N4 O4 Pt S -","- C68 H44 F12 N16 O16 Pt4 S4 -","4","1","","Li, Depeng; Guan, Qingqing; Hu, Xiaoyun; Su, Yuhong; Su, Zhen","Reversible and irreversible stimuli-responsive chromism of a square-planar platinum(ii) salt","RSC Advances","2023","13","36","24878","24886","10.1039/D3RA03554A","","x-ray","1.54178","CuKα","","0.0341","0.0332","","","0.0872","0.0873","","","","","","1.156","","","","has coordinates","285846","2023-08-23","01:17:37",""
"7247242","10.89048","0.00015","9.54267","0.00014","10.63046","0.00015","90","","115.645","0.0004","90","","995.94","0.02","298","","298","","","","","","","","mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O3 -","- C10 H7 N3 O3 -","- C40 H28 N12 O12 -","4","1","","Scheurrell, Kerstin; B Martins, Inês C; Murray, Claire; Emmerling, Franziska","Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: <i>in situ</i> investigation and isolation of reaction intermediates.","Physical chemistry chemical physics : PCCP","2023","25","35","23637","23644","10.1039/d3cp02883f","powder diffraction","x-ray","0.8266","synchrotron","","","","","","","","","0.0353","1.73243","","","","","","","has coordinates","286812","2023-10-06","00:51:41",""
"7247243","11.7021","0.0005","11.0081","0.0005","15.3756","0.0007","90","","104.695","0.002","90","","1915.86","0.15","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Au Cl O2 P -","- C20 H17 Au Cl O2 P -","- C80 H68 Au4 Cl4 O8 P4 -","4","1","","Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana","Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations","RSC Advances","2023","13","36","25425","25436","10.1039/D3RA03681B","","","0.71073","MoKα","","0.0413","0.0266","","","0.0589","0.0658","","","","","","1.054","","","","has coordinates","285872","2023-08-25","01:16:13",""
"7247244","25.3936","0.0011","11.0814","0.0004","15.6192","0.0006","90","","120.847","0.001","90","","3773.4","0.3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 Au Cl O5 P2 -","- C39 H34 Au Cl O5 P2 -","- C156 H136 Au4 Cl4 O20 P8 -","4","0.5","","Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana","Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations","RSC Advances","2023","13","36","25425","25436","10.1039/D3RA03681B","","","0.71073","MoKα","","0.0588","0.0388","","","0.0898","0.1019","","","","","","1.065","","","","has coordinates","285872","2023-08-25","01:16:18",""
"7247245","24.9","0.006","16.943","0.003","17.711","0.005","90","","106.237","0.007","90","","7174","3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Au B F24 O4 P2 -","- C72 H46 Au B F24 O4 P2 -","- C288 H184 Au4 B4 F96 O16 P8 -","4","1","","Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana","Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations","RSC Advances","2023","13","36","25425","25436","10.1039/D3RA03681B","","","0.71073","MoKα","","0.1107","0.0523","","","0.1259","0.1524","","","","","","1.018","","","","has coordinates","285872","2023-08-25","01:16:21",""
"7247246","5.5038","0.0003","15.3084","0.0009","9.9468","0.0006","90","","92.58","0.002","90","","837.21","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N4 O6 -","- C16 H14 Cu N4 O6 -","- C32 H28 Cu2 N8 O12 -","2","0.5","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.0619","0.0398","","","0.0736","0.0806","","","","","","1.011","","","","has coordinates","286726","2023-10-06","00:02:55",""
"7247247","9.791","0.0015","6.3116","0.001","28.379","0.004","90","","93.082","0.004","90","","1751.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu N4 O6 -","- C20 H14 Cu N4 O6 -","- C80 H56 Cu4 N16 O24 -","4","1","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.1349","0.0608","","","0.0992","0.1214","","","","","","1","","","","has coordinates","286726","2023-10-06","00:02:56",""
"7247248","8.2596","0.0007","11.1219","0.0009","11.4922","0.0009","90","","110.896","0.003","90","","986.27","0.14","100","2","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","2","","Maity, Rajib; Bankura, Abhijit; Das, Indrajit","Electrochemical cascade sequences for remote C7–H bond thiocyanation of quinoxalin-2(1H)-ones with ammonium thiocyanate","Green Chemistry","2023","25","19","7774","7781","10.1039/D3GC02153J","","x-ray","1.54178","CuKα","","0.0422","0.0408","","","0.1058","0.1073","","","","","","1.074","","","","has coordinates","286751","2023-10-06","00:18:56",""
"7247249","3.9964","0.0003","8.0048","0.0005","17.9743","0.0012","90.426","0.002","90.934","0.002","98.213","0.002","569","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Maity, Rajib; Bankura, Abhijit; Das, Indrajit","Electrochemical cascade sequences for remote C7–H bond thiocyanation of quinoxalin-2(1H)-ones with ammonium thiocyanate","Green Chemistry","2023","25","19","7774","7781","10.1039/D3GC02153J","","x-ray","1.54178","CuKα","","0.0351","0.035","","","0.0921","0.0921","","","","","","1.123","","","","has coordinates","286751","2023-10-06","00:18:56",""
"7247250","6.7604","0.0001","16.4043","0.0003","15.8328","0.0003","90","","95.946","0.002","90","","1746.41","0.05","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B P -","- C20 H22 B P -","- C80 H88 B4 P4 -","4","1","","Shi, Wei; Zhong, Ping-Fu; Qi, Xu-Kuan; Yang, Chao; Guo, Lin; Xia, Wujiong","Photoinduced ligand-to-iron charge transfer enabled C(sp3)–H phosphorylation of hydrocarbons","Green Chemistry","2023","25","19","7817","7824","10.1039/D3GC02469E","","x-ray","1.54184","CuKα","","0.0582","0.0536","","","0.1468","0.1532","","","","","","1.03","","","","has coordinates","286750","2023-10-06","00:18:47",""
"7247251","6.6016","0.0001","17.7257","0.0004","14.5686","0.0003","90","","101.613","0.002","90","","1669.89","0.06","180.3","0.7","180.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 B P -","- C19 H24 B P -","- C76 H96 B4 P4 -","4","1","","Shi, Wei; Zhong, Ping-Fu; Qi, Xu-Kuan; Yang, Chao; Guo, Lin; Xia, Wujiong","Photoinduced ligand-to-iron charge transfer enabled C(sp3)–H phosphorylation of hydrocarbons","Green Chemistry","2023","25","19","7817","7824","10.1039/D3GC02469E","","x-ray","1.54184","CuKα","","0.0677","0.0625","","","0.1659","0.1725","","","","","","1.077","","","","has coordinates","286750","2023-10-06","00:18:48",""
"7247252","6.061","0.0005","7.6912","0.0005","21.2829","0.0015","90","","90","","90","","992.13","0.13","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Harrington, Kristen; Hogan, David T.; Sutherland, Todd C.; Stamplecoskie, Kevin","Photophysical investigation into room-temperature emission from xanthene derivatives.","Physical chemistry chemical physics : PCCP","2023","25","36","24829","24837","10.1039/d3cp02802j","","","1.54178","CuKα","","0.033","0.0324","","","0.0856","0.0859","","","","","","1.085","","","","has coordinates","286811","2023-10-06","00:51:27",""
"7247253","11.7675","0.0003","13.1064","0.0004","11.8764","0.0004","90","","99.112","0.003","90","","1808.58","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H0.5 In N9 O3 -","- C40 H24 In N9 O3 -","- C80 H48 In2 N18 O6 -","2","0.5","","Dou, Chang-Xun; Tian, Xu-Ke; Chen, Ying-Jun; Yin, Pei-Pei; Guo, Jia-Hui; Yang, Xiao-Gang; Guo, Yu-Ming; Ma, Lu-Fang","Fast photocatalytic degradation of rhodamine B using indium-porphyrin based cationic MOF under visible light irradiation.","Physical chemistry chemical physics : PCCP","2023","25","37","25139","25145","10.1039/d3cp03255h","","x-ray","0.71073","MoKα","","0.0495","0.039","","","0.1062","0.1122","","","","","","1.122","","","","has coordinates","286810","2023-10-06","00:51:02",""
"7247254","18.711","0.005","20.882","0.006","21.381","0.006","110.987","0.009","114.356","0.009","99.657","0.009","6599","3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1824","0.1302","","","0.3554","0.402","","","","","","1.432","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247255","19.854","0.004","20.442","0.004","20.492","0.004","102.885","0.006","116.443","0.005","108.691","0.006","6365","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.2004","0.1303","","","0.3589","0.4174","","","","","","1.352","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247256","30.517","0.004","30.517","0.004","35.19","0.006","90","","90","","90","","32772","8","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H540 Ag148 Br30 S26 -","- C360 H540 Ag148 Br30 S26 -","- C720 H1080 Ag296 Br60 S52 -","2","0.125","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1586","0.1233","","","0.3418","0.3783","","","","","","1.511","","","","has coordinates,has disorder","286740","2023-10-06","00:06:13",""
"7247257","9.2402","0.0004","10.7034","0.0005","22.982","0.0012","90","","97.437","0.004","90","","2253.83","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N4 O8 S4 -","- C46 H50 N4 O8 S4 -","- C92 H100 N8 O16 S8 -","2","0.5","","Packman, Lachlan; Mallo, Neil; Raynor, Aaron; Gao, Mile; Babazadeh, Mohammad; Jin, Hui; Huang, David M.; Burn, Paul L.; Gentle, Ian R.; Shaw, Paul E.","The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films.","Physical chemistry chemical physics : PCCP","2023","25","35","23867","23878","10.1039/d3cp03038e","","x-ray","0.71073","MoKα","","0.0778","0.0613","","","0.1474","0.1574","","","","","","1.037","","","","has coordinates","286813","2023-10-06","00:51:52",""
"7247258","14.4288","0.0006","11.9755","0.0004","8.855","0.0004","90","","105.424","0.004","90","","1474.97","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 N4 O4 Ru -","- C32 H32 Cl2 N4 O4 Ru -","- C64 H64 Cl4 N8 O8 Ru2 -","2","0.5","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","1.54184","CuKα","","0.0367","0.0333","","","0.0851","0.0878","","","","","","1.044","","","","has coordinates","285903","2023-08-30","01:11:39",""
"7247259","10.8657","0.0002","13.371","0.0002","14.4857","0.0003","112.698","0.001","94.014","0.001","113.094","0.001","1724.14","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl8 N4 Ru -","- C30 H26 Cl8 N4 Ru -","- C60 H52 Cl16 N8 Ru2 -","2","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.0642","0.0448","","","0.1003","0.1102","","","","","","1.052","","","","has coordinates","285903","2023-08-30","01:11:40",""
"7247260","7.2857","0.0009","13.9992","0.0017","14.5426","0.0018","78.661","0.008","89.453","0.008","84.435","0.008","1447.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cl6 N4 Ru -","- C28 H20 Cl6 N4 Ru -","- C56 H40 Cl12 N8 Ru2 -","2","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.2127","0.1302","","","0.4114","0.4469","","","","","","1.348","","","","has coordinates","285903","2023-08-30","01:11:40",""
"7247261","13.465","0.0004","12.0716","0.0003","9.4185","0.0003","90","","103.729","0.002","90","","1487.18","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 N4 Ru -","- C32 H32 Cl2 N4 Ru -","- C64 H64 Cl4 N8 Ru2 -","2","0.5","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.0612","0.0346","","","0.0797","0.0904","","","","","","0.946","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247262","28.7859","0.0012","15.6535","0.0006","14.3195","0.0005","90","","113.084","0.002","90","","5935.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cl6 N4 Ru -","- C28 H20 Cl6 N4 Ru -","- C224 H160 Cl48 N32 Ru8 -","8","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.0917","0.0483","","","0.1262","0.1536","","","","","","0.894","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247263","10.4958","0.0004","13.5516","0.0005","13.8771","0.0005","108.633","0.002","92.763","0.002","94.144","0.003","1860.14","0.12","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 N4 O4 Ru -","- C32 H29 Cl2 N4 O4 Ru -","- C64 H58 Cl4 N8 O8 Ru2 -","2","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.1183","0.066","","","0.1658","0.2153","","","","","","1.027","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247264","9.8151","0.0007","12.8431","0.001","19.5758","0.0014","90","","91.003","0.005","90","","2467.3","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl4 N8 O Ru2 -","- C56 H48 Cl4 N8 O Ru2 -","- C112 H96 Cl8 N16 O2 Ru4 -","2","0.5","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.181","0.1179","","","0.3255","0.3769","","","","","","1.0695","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247265","14.0932","0.001","14.4484","0.001","17.727","0.0014","90","","104.93","0.006","90","","3487.8","0.5","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 N4 O Ru -","- C32 H32 Cl2 N4 Ru -","- C128 H128 Cl8 N16 Ru4 -","4","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.1645","0.0647","","","0.1369","0.1829","","","","","","0.938","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247266","22.261","0.003","14.2526","0.0016","7.7279","0.0011","90","","108.177","0.005","90","","2329.5","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Ag N4 O3 -","- C7 H10 Ag N4 O3 -","- C56 H80 Ag8 N32 O24 -","8","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.1131","0.0893","","","0.2077","0.2186","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247267","12.7466","0.001","17.0131","0.0012","6.1821","0.0004","90","","90","","90","","1340.65","0.17","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 -","- C14 H20 N6 -","- C56 H80 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0831","0.0649","","","0.1183","0.125","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247268","15.4247","0.0006","9.6024","0.0004","10.6881","0.0005","90","","98.793","0.002","90","","1564.45","0.12","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 F6 O6 S2 -","- C10 H14 F6 O6 S2 -","- C40 H56 F24 O24 S8 -","4","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.028","0.025","","","0.0627","0.0642","","","","","","1.094","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247269","6.6612","0.0006","7.092","0.0007","15.1212","0.0015","94.455","0.004","98.312","0.003","90.959","0.004","704.42","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","1","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","","0.71073","MoKα","","0.0558","0.047","","","0.1156","0.1208","","","","","","1.049","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247270","12.5507","0.0004","12.907","0.0005","9.9446","0.0004","90","","108.336","0.001","90","","1529.15","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag N7 O3 -","- C12 H18 Ag N7 O3 -","- C48 H72 Ag4 N28 O12 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0202","0.0172","","","0.0399","0.0415","","","","","","1.031","","","","has coordinates,has disorder","286739","2023-10-06","00:05:56",""
"7247271","8.4768","0.0017","10.883","0.002","13.588","0.003","90","","92.07","0.007","90","","1252.7","0.4","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N6 -","- C12 H18 N6 -","- C48 H72 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0464","0.0403","","","0.0953","0.0981","","","","","","1.136","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247272","27.7261","0.0008","27.7261","0.0008","28.5384","0.0008","90","","90","","90","","21938.5","1.1","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H53 N7 O16 S4 Zn2 -","- C22 H14 N3 O8 S4 Zn2 -","- C352 H224 N48 O128 S64 Zn32 -","16","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0953","0.0642","","","0.1815","0.2136","","","","","","1.059","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247273","13.3634","0.0004","13.3634","0.0004","30.7634","0.0009","90","","90","","90","","5493.7","0.3","299","2","299","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H21 N7 O7 S2 Zn2 -","- C14 H10 N6 O4 S2 Zn2 -","- C112 H80 N48 O32 S16 Zn16 -","8","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0412","0.0399","","","0.121","0.1221","","","","","","1.081","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247274","15.168","0.008","5.683","0.003","21.306","0.011","90","","100.272","0.009","90","","1807.1","1.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl2 N O2 -","- C21 H17 Cl2 N O2 -","- C84 H68 Cl8 N4 O8 -","4","1","","Verma, Ekta; Patil, Shailendra; Gajbhiye, Asmita","Sequential analysis for identification of byproduct from N-benzylation reaction: wound healing and anti-inflammatory potential of the byproduct 4-chlorobenzyl 2-((4-chlorobenzyl)amino)benzoate","RSC Advances","2023","13","37","25904","25911","10.1039/D3RA03720G","","","0.71073","MoKα","","0.1098","0.0598","","","0.1454","0.1803","","","","","","0.897","","","","has coordinates","285922","2023-08-31","01:19:19",""
"7247275","19.06366","0.0001","9.17342","0.00006","24.46359","0.00014","90","","96.298","0.0005","90","","4252.35","0.04","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cu F3 N6 O3 P2 S -","- C46 H36 Cu F3 N6 O3 P2 S -","- C184 H144 Cu4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0326","0.0309","","","0.0814","0.0825","","","","","","1.048","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247276","13.589","0.003","18.55","0.004","24.627","0.005","80.807","0.003","89.307","0.003","89.793","0.005","6128","2","118","2","118","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C228 H176 Ag8 F24 N24 O24 P8 S8 -","4","2","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","","0.71073","MoKα","","0.087","0.0578","","","0.1248","0.1429","","","","","","1.039","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247277","13.9056","0.0002","22.9786","0.0002","14.7403","0.0002","90","","116.689","0.002","90","","4208.17","0.12","172.97","0.1","172.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Ag F3 N6 O3 P2 S -","- C46 H36 Ag F3 N6 O3 P2 S -","- C184 H144 Ag4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0737","0.0687","","","0.1864","0.1911","","","","","","1.075","","","","has coordinates,has disorder","286746","2023-10-06","00:08:16",""
"7247278","3.889","0.002","13.249","0.008","14.043","0.009","90","","91.986","0.009","90","","723.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0685","0.0562","","","0.1779","0.1929","","","","","","1.154","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247279","22.75","0.007","3.8166","0.0011","17.211","0.005","90","","101.691","0.004","90","","1463.4","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0585","0.0439","","","0.1252","0.1377","","","","","","1.009","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247280","18.046","0.0012","8.3234","0.0005","18.3738","0.0012","90","","118.457","0.003","90","","2426.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C96 H96 N16 Se16 -","8","2","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0694","0.0373","","","0.0609","0.0669","","","","","","0.977","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247281","11.563","0.006","17.139","0.008","4.8436","0.0019","90","","90","","90","","959.9","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C32 H16 N8 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.1206","0.0688","","","0.1798","0.2156","","","","","","1.049","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247282","9.117","0.0012","4.0552","0.0005","11.8113","0.0013","90","","95.91","0.005","90","","434.36","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0214","0.0184","","","0.0422","0.0435","","","","","","1.114","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247283","11.2833","0.0019","18.088","0.003","4.056","0.0007","90","","90","","90","","827.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H2 N2 S Se2 -","- C6 H2 N2 S Se2 -","- C24 H8 N8 S4 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0449","0.0453","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247284","7.4494","0.0015","9.201","0.002","12.306","0.003","74.58","0.008","89.306","0.007","88.669","0.007","812.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","1","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0361","0.032","","","0.0759","0.0783","","","","","","1.136","","","","has coordinates,has disorder","286729","2023-10-06","00:03:34",""
"7247285","8.8342","0.0015","14.079","0.003","7.6447","0.0014","90","","110.592","0.007","90","","890.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 Se2 -","- C20 H14 N4 Se2 -","- C40 H28 N8 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.021","0.0194","","","0.0498","0.0507","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247286","8.3175","0.0007","9.85","0.0005","7.6668","0.0005","90","","101.728","0.007","90","","615.01","0.07","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0557","0.0392","","","0.0905","0.1035","","","","","","1.045","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247287","4.3707","0.0003","11.8303","0.0009","11.8442","0.001","90","","92.985","0.003","90","","611.59","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0242","0.0191","","","0.0415","0.0432","","","","","","1.04","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247288","7.4887","0.0005","7.6756","0.0005","8.0494","0.0005","93.199","0.002","110.363","0.002","95.058","0.003","430.22","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","1","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0293","0.0282","","","0.0619","0.0625","","","","","","1.079","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247289","17.4476","0.0006","9.9715","0.0004","7.8504","0.0003","90","","102.6","0.001","90","","1332.91","0.09","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.022","0.0166","","","0.0351","0.0365","","","","","","1.058","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247290","16.4343","0.0005","16.4343","0.0005","11.4451","0.0004","90","","90","","120","","2677.03","0.15","140","0.1","140","0.1","","","","","","","","5","P 32","P 32","145","","","","- C4 H12 Cl4 I N -","- C4 H12 Cl4 I N -","- C36 H108 Cl36 I9 N9 -","9","3","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0399","0.0353","","","0.0614","0.0643","","","","","","1.027","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247291","8.4156","0.0004","16.0769","0.0006","10.9381","0.0004","90","","103.705","0.004","90","","1437.75","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl4 I N -","- C9 H14 Cl4 I N -","- C36 H56 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0366","0.0281","","","0.043","0.0468","","","","","","1.042","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247292","11.5876","0.0008","11.5876","0.0008","16.4371","0.0015","90","","90","","90","","2207.1","0.3","150","2","150","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C12 H14 Cl8 I2 N2 -","- C12 H14 Cl8 I2 N2 -","- C48 H56 Cl32 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0398","0.03","","","0.0525","0.057","","","","","","1.027","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247293","11.3598","0.0015","8.5116","0.0011","15.14","0.002","90","","110.486","0.004","90","","1371.3","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0517","0.0406","","","0.0966","0.1035","","","","","","1.031","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247294","8.2044","0.0002","9.6553","0.0003","8.2874","0.0002","90","","105.887","0.001","90","","631.42","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Cl5 I N -","- C6 H7 Cl5 I N -","- C12 H14 Cl10 I2 N2 -","2","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.015","0.0145","","","0.0336","0.0338","","","","","","1.053","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247295","5.8474","0.0004","9.4994","0.0005","11.3086","0.0006","107.71","0.004","98.149","0.004","105.204","0.004","560.43","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 Br O3 -","- C11 H13 Br O3 -","- C22 H26 Br2 O6 -","2","1","","Cioc, Răzvan C; Harsevoort, Eva; Lutz, Martin; Bruijnincx, Pieter C. A.","Efficient synthesis of fully renewable, furfural-derived building blocks <i>via</i> formal Diels-Alder cycloaddition of atypical addends.","Green chemistry : an international journal and green chemistry resource : GC","2023","25","23","9689","9694","10.1039/d3gc02357e","","","0.71073","MoKα","","0.0276","0.024","","","0.061","0.0622","","","","","","1.064","","","","has coordinates","288824","2024-01-06","08:25:16",""
"7247296","10.0582","0.0005","10.1124","0.0006","7.03","0.0003","90","","90.351","0.003","90","","715.03","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Cioc, Răzvan C; Harsevoort, Eva; Lutz, Martin; Bruijnincx, Pieter C. A.","Efficient synthesis of fully renewable, furfural-derived building blocks <i>via</i> formal Diels-Alder cycloaddition of atypical addends.","Green chemistry : an international journal and green chemistry resource : GC","2023","25","23","9689","9694","10.1039/d3gc02357e","","","0.71073","MoKα","","0.0427","0.0351","","","0.0933","0.0981","","","","","","1.064","","","","has coordinates","288824","2024-01-06","08:25:18",""
"7247297","13.552","0.0014","10.2862","0.001","23.234","0.003","90","","95.963","0.01","90","","3221.3","0.6","292.99","0.1","292.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N O5 -","- C40 H33 N O5 -","- C160 H132 N4 O20 -","4","1","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","0.71073","MoKα","","0.1788","0.0724","","","0.1445","0.1931","","","","","","1.024","","","","has coordinates","287352","2023-11-06","07:42:26",""
"7247298","10.4332","0.0005","10.0121","0.0004","27.9684","0.0013","90","","98.05","0.004","90","","2892.7","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl N O6 -","- C35 H30 Cl N O6 -","- C140 H120 Cl4 N4 O24 -","4","1","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","1.54184","CuKα","","0.0732","0.053","","","0.1325","0.1478","","","","","","1.046","","","","has coordinates","287352","2023-11-06","07:42:29",""
"7247299","10.3653","0.0009","11.5399","0.0008","12.1483","0.0009","86.936","0.006","75.711","0.007","69.063","0.007","1314.21","0.19","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 N O -","- C36 H27 N O -","- C72 H54 N2 O2 -","2","1","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","1.54184","CuKα","","0.0652","0.0485","","","0.1269","0.1374","","","","","","1.164","","","","has coordinates","287352","2023-11-06","07:42:32",""
"7247300","5.8318","0.0004","11.6046","0.0008","26.5835","0.0015","86.525","0.005","87.942","0.005","87.181","0.005","1792.6","0.2","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","1.54184","CuKα","","0.0868","0.0614","","","0.172","0.1892","","","","","","1.097","","","","has coordinates","287352","2023-11-06","07:42:38",""
"7247301","11.0361","0.0005","14.2348","0.0005","16.7656","0.0006","79.529","0.003","88.302","0.003","75.05","0.004","2501.88","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C116 H108 N4 O20 -","4","2","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","0.71073","MoKα","","0.0963","0.0603","","","0.1368","0.1608","","","","","","1.023","","","","has coordinates","287352","2023-11-06","07:42:51",""
"7247302","8.6891","0.0013","13.212","0.002","6.6851","0.001","90","","98.525","0.004","90","","759","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Cd Cl3 N -","- C2 H8 Cd Cl3 N -","- C8 H32 Cd4 Cl12 N4 -","4","1","","Lim, Ae Ran; Yoon, Ma Byong","Crystal growth, phase transition, and nuclear magnetic resonance of organic–inorganic hybrid perovskite NH2(CH3)2CdCl3","RSC Advances","2023","13","37","26015","26022","10.1039/D3RA04381A","","","0.71073","MoKα","","0.0244","0.0234","","","0.0615","0.0621","","","","","","1.078","","","","has coordinates","285965","2023-09-02","01:25:14",""
"7247303","20.1166","0.0014","10.6178","0.0007","16.0756","0.0011","90","","108.39","0.0012","90","","3258.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29.2 H27.6 O14.6 Zn3 -","- C29.2 H27.6 O14.6 Zn3 -","- C116.8 H110.4 O58.4 Zn12 -","4","0.5","","Toledo-Jaldín, Helen Paola; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Blanco Flores, Alien; Martínez-Otero, Diego; Reyes Domínguez, Iván A.; Canseco-González, Daniel; Rosales-Vázquez, Luis D.; Salomón-Flores, María K.; Dorazco-González, Alejandro","Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies","CrystEngComm","2023","25","26","3766","3776","10.1039/D3CE00434A","","","0.71073","MoKα","","0.0488","0.0456","","","0.123","0.1257","","","","","","1.068","","","","has coordinates,has disorder","285984","2023-09-04","09:35:59",""
"7247304","15.3926","0.0004","54.654","0.0013","16.2237","0.0004","90","","90","","90","","13648.5","0.6","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H37 Co N4 O8.5 -","- C34 H34 Co N4 O8.5 -","- C544 H544 Co16 N64 O136 -","16","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0903","0.0469","","","0.1148","0.1388","","","","","","1.009","","","","has coordinates,has disorder","287340","2023-11-06","07:25:50",""
"7247305","14.3467","0.0003","24.9926","0.0004","17.2868","0.0003","90","","101.204","0.001","90","","6080.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Co2 N7 O15 -","- C57 H63 Co2 N7 O15 -","- C228 H252 Co8 N28 O60 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1547","0.0758","","","0.2027","0.2461","","","","","","1.015","","","","has coordinates,has disorder","287340","2023-11-06","07:25:53",""
"7247306","27.658","0.0009","11.2065","0.0004","24.7275","0.0008","90","","114.988","0.0016","90","","6946.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Co N4 O9.5 S -","- C34 H37 Co N4 O9.5 S -","- C272 H296 Co8 N32 O76 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0531","0.0357","","","0.1066","0.1222","","","","","","1.043","","","","has coordinates","287340","2023-11-06","07:25:56",""
"7247307","12.7831","0.0007","14.0167","0.001","13.2901","0.001","90","","93.441","0.003","90","","2377","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0512","","","0.0877","0.1023","","","","","","1.023","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247308","14.1784","0.0004","28.3482","0.0007","11.4749","0.0003","90","","103.114","0.0012","90","","4491.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Co N4 O11 S -","- C38 H30 Co N4 O11 S -","- C152 H120 Co4 N16 O44 S4 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1553","0.061","","","0.1208","0.1438","","","","","","1.009","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247309","11.8533","0.0002","14.3536","0.0003","18.8237","0.0004","90","","94.5365","0.0012","90","","3192.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Co N4 O8 -","- C31 H32 Co N4 O8 -","- C124 H128 Co4 N16 O32 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0604","","","0.1471","0.1689","","","","","","1.03","","","","has coordinates","287340","2023-11-06","07:26:09",""
"7247310","21.6886","0.001","12.8559","0.0007","20.7441","0.0011","90","","103.494","0.003","90","","5624.3","0.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Co N2 O9 S -","- C24 H21 Co N2 O9 S -","- C192 H168 Co8 N16 O72 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1104","0.0784","","","0.2166","0.2383","","","","","","1.082","","","","has coordinates,has disorder","287340","2023-11-06","07:26:18",""
"7247311","11.3937","0.0003","22.6845","0.0005","13.7311","0.0003","90","","93.2983","0.0012","90","","3543.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co N4 O11 -","- C39 H36 Co N4 O11 -","- C156 H144 Co4 N16 O44 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0659","0.0593","","","0.1794","0.1848","","","","","","1.036","","","","has coordinates","287340","2023-11-06","07:26:21",""
"7247312","12.8615","0.0004","13.3572","0.0004","13.9703","0.0004","71.1164","0.0014","76.1766","0.0014","88.4604","0.0015","2201.74","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Co N4 O9 -","- C38 H28 Co N4 O9 -","- C76 H56 Co2 N8 O18 -","2","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0587","0.038","","","0.0919","0.0987","","","","","","1.058","","","","has coordinates","287340","2023-11-06","07:26:31",""
"7247313","21.402","0.005","7.777","0.0017","23.478","0.005","90","","90","","90","","3907.8","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H30 Co F6 N4 O9 -","- C41 H30 Co F6 N4 O9 -","- C164 H120 Co4 F24 N16 O36 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0993","0.0672","","","0.1627","0.1807","","","","","","1.05","","","","has coordinates","287340","2023-11-06","07:26:34",""
"7247314","9.4393","0.001","11.7938","0.0012","12.8424","0.0012","75.714","0.003","89.665","0.003","77.614","0.003","1351.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-chloro-phenoxymethyl)mesitylene","","- C30 H27 Cl3 O3 -","- C30 H27 Cl3 O3 -","- C60 H54 Cl6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1039","0.0731","","","0.159","0.1749","","","","","","1.087","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247315","9.645","0.003","12.616","0.004","14.168","0.005","106.195","0.01","93.337","0.01","93.16","0.009","1648.2","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-iodo-phenoxymethyl)mesitylene","","- C30 H27 I3 O3 -","- C30 H27 I3 O3 -","- C60 H54 I6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1102","0.0798","","","0.1896","0.2059","","","","","","1.067","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247316","30.916","0.01","8.682","0.003","25.527","0.008","90","","119.415","0.011","90","","5968","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-tris(4-cyano-phenoxymethyl)mesitylene","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C264 H216 N24 O24 -","8","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1527","0.0999","","","0.2278","0.2567","","","","","","1.095","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247317","9.4811","0.0015","12.591","0.002","13.809","0.002","107.591","0.005","95.204","0.005","91.591","0.005","1562.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-bromo-phenoxymethyl)mesitylene","","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","1","0.5","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1257","0.0839","","","0.2442","0.2816","","","","","","1.044","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247318","11.4603","0.0003","13.9922","0.0004","11.4697","0.0004","90","","96.428","0.003","90","","1827.66","0.1","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Eu N O9 -","- C15 H10 Eu N O9 -","- C60 H40 Eu4 N4 O36 -","4","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","1.54184","CuKα","","0.0435","0.0341","","","0.0812","0.0858","","","","","","1.012","","","","has coordinates","286003","2023-09-05","01:06:54",""
"7247319","11.4466","0.0003","13.9709","0.0004","11.4477","0.0003","90","","95.931","0.003","90","","1820.91","0.09","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Gd N O9 -","- C15 H10 Gd N O9 -","- C60 H40 Gd4 N4 O36 -","4","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","1.54184","CuKα","","0.0461","0.037","","","0.0906","0.0975","","","","","","1.033","","","","has coordinates","286003","2023-09-05","01:06:54",""
"7247320","8.4519","0.0005","10.4464","0.0008","11.1686","0.0006","64.867","0.006","87.068","0.005","67.318","0.006","816.17","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Gd N O10 -","- C14 H15 Gd N O10 -","- C28 H30 Gd2 N2 O20 -","2","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","0.71073","MoKα","","0.0403","0.0342","","","0.0564","0.0608","","","","","","0.996","","","","has coordinates","286003","2023-09-05","01:06:54",""
"7247321","8.4877","0.0007","10.4777","0.0012","11.1966","0.001","64.866","0.01","87.056","0.007","67.138","0.009","822.89","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Eu N O10 -","- C14 H15 Eu N O10 -","- C28 H30 Eu2 N2 O20 -","2","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","0.71073","MoKα","","0.0403","0.0345","","","0.0604","0.0632","","","","","","1.025","","","","has coordinates","286003","2023-09-05","01:06:55",""
"7247322","13.2783","0.00013","13.34642","0.00015","16.09392","0.00018","68.0627","0.001","85.3464","0.0009","80.1123","0.0009","2605.87","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H110 Dy Eu3 N14 O36 Si8 -","- C80 H110 Dy Eu3 N14 O36 Si8 -","- C80 H110 Dy Eu3 N14 O36 Si8 -","1","0.5","","Félix, Gautier; Sene, Saad; Kulakova, Alena; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","Tetranuclear lanthanide-based silsesquioxanes: towards a combination of a slow relaxation of the magnetization and a luminescent thermometry","RSC Advances","2023","13","37","26302","26312","10.1039/D3RA04901A","","","0.71073","MoKα","","0.0439","0.0282","","","0.0615","0.0656","","","","","","1.04","","","","has coordinates,has disorder","286004","2023-09-05","01:07:42",""
"7247323","13.2584","0.0002","13.3275","0.0002","16.0668","0.0002","68.1098","0.0015","85.3999","0.0014","80.1109","0.0015","2594.78","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H110 Dy3 N14 O36 Si8 Tb -","- C80 H110 Dy3 N14 O36 Si8 Tb -","- C80 H110 Dy3 N14 O36 Si8 Tb -","1","0.5","","Félix, Gautier; Sene, Saad; Kulakova, Alena; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","Tetranuclear lanthanide-based silsesquioxanes: towards a combination of a slow relaxation of the magnetization and a luminescent thermometry","RSC Advances","2023","13","37","26302","26312","10.1039/D3RA04901A","","","0.71073","MoKα","","0.0491","0.0354","","","0.0821","0.0891","","","","","","1.031","","","","has coordinates,has disorder","286004","2023-09-05","01:07:42",""
"7247324","12.884","0.0002","13.9471","0.0002","15.3005","0.0002","67.2399","0.0015","82.6403","0.0013","86.2713","0.0013","2514.08","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H98 Eu N10 O36 Si8 Tb Y2 -","- C72 H98 Eu N10 O36 Si8 Tb Y2 -","- C72 H98 Eu N10 O36 Si8 Tb Y2 -","1","0.5","","Félix, Gautier; Sene, Saad; Kulakova, Alena; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","Tetranuclear lanthanide-based silsesquioxanes: towards a combination of a slow relaxation of the magnetization and a luminescent thermometry","RSC Advances","2023","13","37","26302","26312","10.1039/D3RA04901A","","","0.71073","MoKα","","0.1274","0.0883","","","0.1886","0.2038","","","","","","1.03","","","","has coordinates,has disorder","286004","2023-09-05","01:07:42",""
"7247325","10.8035","0.0008","12.1488","0.0011","12.992","0.0012","67.259","0.001","69.516","0.002","69.334","0.002","1425.7","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Br Cu2 F N5 O6 -","- C27 H29 Br Cu2 F N5 O6 -","- C54 H58 Br2 Cu4 F2 N10 O12 -","2","1","","Cao, Shuhua; Wang, Anlin; Li, Kaoxue; Lin, Zhiteng; Yang, Hongwei; Zhang, Xiaolei; Qiu, Jianmei; Tai, Xishi","A novel tetranuclear Cu(ii) complex for DNA-binding and in vitro anticancer activity","RSC Advances","2023","13","38","26324","26329","10.1039/D3RA03624C","","","0.71073","MoKα","","0.098","0.0656","","","0.1518","0.1619","","","","","","1.072","","","","has coordinates","286005","2023-09-05","01:08:16",""
"7247326","11.0587","0.0004","11.8069","0.0005","14.601","0.0006","78.679","0.001","76.705","0.001","77.663","0.001","1790.65","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C74 H72 F6 N18 O8 S2 -","2","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0688","0.0603","","","0.1647","0.1766","","","","","","1.085","","","","has coordinates","287342","2023-11-06","07:27:01",""
"7247327","9.3626","0.0003","18.0718","0.0008","19.7247","0.0009","90","","94.683","0.001","90","","3326.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F3 N9 O4 S -","- C34 H32 F3 N9 O4 S -","- C136 H128 F12 N36 O16 S4 -","4","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0678","0.0507","","","0.1169","0.1262","","","","","","1.048","","","","has coordinates","287342","2023-11-06","07:27:05",""
"7247328","10.125","0.011","18.32","0.02","20.77","0.02","68.4","0.04","89.7","0.04","81.04","0.04","3533","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C148 H144 F12 N36 O16 S4 -","4","2","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.1159","0.1099","","","0.324","0.3363","","","","","","1.568","","","","has coordinates","287342","2023-11-06","07:27:15",""
"7247329","21.7912","0.0013","20.2706","0.0013","10.2341","0.0006","90","","102.939","0.002","90","","4405.8","0.5","120","2","120.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Mn3 N15 O13 -","- C33 H39 Mn3 N15 O13 -","- C132 H156 Mn12 N60 O52 -","4","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0898","0.0546","","","0.1495","0.1674","","","","","","1.049","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247330","10.7765","0.0009","13.3012","0.0011","11.2337","0.001","90","","98.472","0.003","90","","1592.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Mn2 N12 O10 -","- C28 H28 Mn2 N12 O10 -","- C56 H56 Mn4 N24 O20 -","2","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.056","0.0368","","","0.1207","0.1359","","","","","","1.026","","","","has coordinates","287341","2023-11-06","07:26:52",""
"7247331","10.6758","0.0013","12.4221","0.0015","19.041","0.002","82.315","0.001","79.293","0.002","72.475","0.001","2357.8","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","1","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0944","0.0776","","","0.2045","0.2152","","","","","","1.018","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247332","17.768","0.004","6.4114","0.0012","6.5376","0.0013","90","","90","","90","","744.7","0.3","170","","170","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H16 Fe N6 O12 -","- C6 H16 Fe N6 O12 -","- C12 H32 Fe2 N12 O24 -","2","0.25","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0625","0.0401","","","0.0933","0.1026","","","","","","1.033","","","","has coordinates","286217","2023-09-06","01:08:45",""
"7247333","6.4481","0.001","17.558","0.003","6.5592","0.001","90","","94.045","0.004","90","","740.8","0.2","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cu N6 O12 -","- C6 H16 Cu N6 O12 -","- C12 H32 Cu2 N12 O24 -","2","0.5","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0822","0.0752","","","0.1997","0.2061","","","","","","1.194","","","","has coordinates","286217","2023-09-06","01:08:46",""
"7247334","6.4342","0.0007","17.7202","0.0019","6.537","0.0007","90","","90","","90","","745.32","0.14","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H16 Co N6 O12 -","- C6 H16 Co N6 O12 -","- C12 H32 Co2 N12 O24 -","2","0.25","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0386","0.0376","","","0.1019","0.104","","","","","","1.028","","","","has coordinates","286217","2023-09-06","01:08:46",""
"7247335","11.9722","0.0012","15.4178","0.0014","15.426","0.0015","68.708","0.002","73.198","0.003","74.391","0.002","2496.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Cd2 Cl6 P2 -","- C32 H72 Cd2 Cl6 P2 -","- C64 H144 Cd4 Cl12 P4 -","2","1","","Elgahami, Hanen; Oueslati, Abderrazek; Nasr, Samia; Costantino, Ferdinando; Naïli, Houcine","On the high-temperature phase transition of a new chlorocadmate(ii) complex incorporating symmetrical Cd2Cl6 clusters: structural, optical and electrical properties","RSC Advances","2023","13","37","26122","26133","10.1039/D3RA04289H","","","0.71073","MoKα","","0.1361","0.0602","","","0.1521","0.2179","","","","","","1.15","","","","has coordinates","286218","2023-09-06","01:09:22",""
"7247336","10.0316","0.0009","11.9364","0.0011","13.969","0.0014","90","","101.674","0.009","90","","1638.1","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Zhang, Hua; Su, Rong-Chuan; Qin, Yu-Li; Wang, Xiao-Juan; Chen, Dan; Liu, Xiao-Rong; Jiang, Yu-Xin; Zhao, Peng","Regioselective synthesis of 3-nitroindoles under non-acidic and non-metallic conditions","RSC Advances","2023","13","38","26581","26586","10.1039/D3RA03193D","","x-ray","0.71073","MoKα","","0.0554","0.0434","","","0.0979","0.1075","","","","","","1.044","","","","has coordinates","286219","2023-09-06","01:09:49",""
"7247337","8.791","0.0004","18.1795","0.001","17.9329","0.001","90","","95.505","0.004","90","","2852.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N O3 S -","- C36 H29 N O3 S -","- C144 H116 N4 O12 S4 -","4","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Yun-Jou; Wang, Jeh-Jeng","Green and rapid acid-catalyzed ynamide skeletal rearrangement and stereospecific functionalization with anisole derivatives","Green Chemistry","2023","25","20","8124","8133","10.1039/D3GC02460A","","x-ray","0.71073","MoKα","","0.122","0.0756","","","0.1917","0.2127","","","","","","1.064","","","","has coordinates","287356","2023-11-06","07:44:07",""
"7247338","18.4742","0.0008","5.9923","0.0002","19.2732","0.0009","90","","98.981","0.002","90","","2107.44","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","","Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu","Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation","Green Chemistry","2023","25","23","9695","9704","10.1039/D3GC02365F","","","0.71073","MoKα","","0.0495","0.0383","","","0.0945","0.1025","","","","","","1.076","","","","has coordinates","288823","2024-01-06","08:25:00",""
"7247339","9.348","0.002","9.793","0.002","16.366","0.004","87.493","0.006","87.318","0.006","84.676","0.006","1489","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C68 H52 Br4 N8 O8 -","4","2","","Rana, Manish; Hungyo, Hungharla; Parashar, Palak; Ahmad, Shaban; Mehandi, Rabiya; Tandon, Vibha; Raza, Khalid; Assiri, Mohammed A.; Ali, Tarik E.; El-Bahy, Zeinhom M.; Rahisuddin,","Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole–pyrazoline hybrid derivatives","RSC Advances","2023","13","38","26766","26779","10.1039/D3RA04873J","","","0.71073","MoKα","","0.0424","0.0277","","","0.0717","0.0781","","","","","","1.024","","","","has coordinates","286258","2023-09-07","01:08:50",""
"7247340","21.54552","0.00017","7.38135","0.00007","22.77667","0.00019","90","","101.092","0.0008","90","","3554.62","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Rana, Manish; Hungyo, Hungharla; Parashar, Palak; Ahmad, Shaban; Mehandi, Rabiya; Tandon, Vibha; Raza, Khalid; Assiri, Mohammed A.; Ali, Tarik E.; El-Bahy, Zeinhom M.; Rahisuddin,","Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole–pyrazoline hybrid derivatives","RSC Advances","2023","13","38","26766","26779","10.1039/D3RA04873J","","","1.54184","CuKα","","0.0426","0.0368","","","0.0989","0.1031","","","","","","1.0325","","","","has coordinates","286258","2023-09-07","01:08:51",""
"7247341","10.7721","0.0003","13.5889","0.0004","13.8513","0.0005","86.809","0.003","74.723","0.003","72.872","0.003","1868.64","0.11","150","2","149.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C88 H70 Fe2 N2 Ni2 O2 P4 S4 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0544","0.0401","","","0.0878","0.0944","","","","","","1.041","","","","has coordinates","287344","2023-11-06","07:27:49",""
"7247342","14.3705","0.0002","17.2455","0.0002","16.2961","0.0002","90","","101.34","0.0013","90","","3959.77","0.09","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C176 H140 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","1.54184","CuKα","","0.0674","0.0593","","","0.1536","0.1593","","","","","","1.065","","","","has coordinates","287344","2023-11-06","07:27:50",""
"7247343","13.944","0.0004","14.063","0.0004","19.8997","0.0006","90","","104.471","0.003","90","","3778.4","0.2","150","2","149.9","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C178 H148 Fe4 N4 Ni4 O6 P8 S8 -","2","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.095","0.1058","","","","","","1.022","","","","has coordinates,has disorder","287344","2023-11-06","07:27:50",""
"7247344","25.212","0.0009","11.5626","0.0006","11.6676","0.0006","90","","90.114","0.005","90","","3401.3","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C152 H104 Cu4 N8 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1501","0.0615","","","0.1092","0.1287","","","","","","0.946","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247345","24.9983","0.0007","11.6753","0.0003","11.664","0.0003","90","","90.396","0.001","90","","3404.2","0.16","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 Ni P S4 -","- C38 H26 N2 Ni P S4 -","- C152 H104 N8 Ni4 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0623","0.0456","","","0.1107","0.1198","","","","","","1.076","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247346","9.6337","0.0003","10.8969","0.0003","13.2465","0.0004","80.138","0.001","89.456","0.001","87.27","0.001","1368.48","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0482","0.0345","","","0.0834","0.0884","","","","","","1.042","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247347","7.7936","0.0004","15.7909","0.0009","14.0517","0.0008","90","","95.771","0.002","90","","1720.55","0.16","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C76 H52 Cu2 N4 P2 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1085","0.0484","","","0.0682","0.078","","","","","","0.925","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247348","13.5065","0.0008","14.3303","0.0009","14.8428","0.001","86.334","0.002","77.455","0.002","70.668","0.002","2646.1","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C124 H92 N4 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1732","0.0675","","","0.1232","0.1466","","","","","","0.934","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247349","11.2071","0.0004","12.4949","0.0005","20.7404","0.0008","84.392","0.001","80.941","0.001","76.747","0.001","2785.96","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 N3 Ni P2 S4 -","- C64 H49 N3 Ni P2 S4 -","- C128 H98 N6 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0776","0.0504","","","0.1002","0.1099","","","","","","1.067","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247350","13.5644","0.0005","14.4462","0.0005","14.8839","0.0005","86.177","0.001","76.389","0.001","70.747","0.001","2675.92","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C124 H92 Cu2 N4 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0878","0.0433","","","0.0886","0.0998","","","","","","1.016","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247351","9.6136","0.0004","10.9075","0.0005","13.3709","0.0006","79.764","0.001","89.324","0.001","87.292","0.001","1378.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0747","0.0449","","","0.0865","0.0987","","","","","","1.055","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247352","10.2545","0.0003","11.784","0.0004","18.9397","0.0006","90","","91.018","0.003","90","","2288.29","0.13","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0646","0.0523","","","0.1389","0.1457","","","","","","1.054","","","","has coordinates","287355","2023-11-06","07:43:48",""
"7247353","16.0365","0.0003","8.141","0.0002","19.083","0.0005","90","","93.993","0.002","90","","2485.3","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O -","- C33 H28 N2 O -","- C132 H112 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0438","0.0392","","","0.1021","0.1049","","","","","","1.069","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247354","18.5654","0.0004","11.0141","0.0002","23.246","0.0005","90","","104.797","0.002","90","","4595.73","0.17","113","2","113","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H52 N4 O4 -","- C58 H52 N4 O4 -","- C232 H208 N16 O16 -","4","0.5","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0498","0.0453","","","0.1069","0.1097","","","","","","1.046","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247355","18.9264","0.0003","10.15909","0.00017","12.951","0.0002","90","","100.384","0.0015","90","","2449.37","0.07","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Br N2 O2 -","- C29 H27 Br N2 O2 -","- C116 H108 Br4 N8 O8 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0372","0.0302","","","0.0672","0.0692","","","","","","1.036","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247356","11.9969","0.0006","12.1767","0.0006","18.3724","0.0011","90","","103.405","0.006","90","","2610.8","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O -","- C35 H32 N2 O -","- C140 H128 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0842","0.059","","","0.1574","0.1723","","","","","","1.068","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247357","10.605","0.0003","11.8204","0.0003","17.9554","0.0005","90","","92.512","0.003","90","","2248.64","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0503","0.04","","","0.1011","0.1057","","","","","","1.082","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247358","9.1217","0.0002","17.3684","0.0004","23.9176","0.0006","90","","90","","90","","3789.25","0.15","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11.76 H8.47 N0.94 O0.94 -","- C11.7647 H8.47059 N0.941176 O0.941176 -","- C200 H144 N16 O16 -","17","4.25","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0674","0.0621","","","0.153","0.1582","","","","","","1.018","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247359","24.6112","0.0004","10.2554","0.0002","36.0411","0.0005","90","","99.385","0.002","90","","8974.9","0.3","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 N4 O2 -","- C58 H52 N4 O2 -","- C464 H416 N32 O16 -","8","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.082","0.0689","","","0.1766","0.1844","","","","","","1.088","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247360","9.3792","0.0004","9.3792","0.0004","22.4879","0.0009","90","","90","","120","","1713.21","0.12","100","","100","","","","","","","","","5","P 61","P 61","169","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0327","0.0284","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247361","9.3938","0.0003","9.3938","0.0003","22.5064","0.0008","90","","90","","120","","1719.96","0.1","100.02","","100.02","","","","","","","","","5","P 65","P 65","170","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0312","0.0277","","","0.0465","0.0474","","","","","","1.027","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247362","9.5668","0.0003","23.3692","0.0006","17.0992","0.0003","90","","90","","90","","3822.84","0.17","150.01","0.1","150.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H39 Cd3 N3 O15 -","- C39 H39 Cd3 N3 O15 -","- C156 H156 Cd12 N12 O60 -","4","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1182","0.1266","","","","","","0.961","","","","has coordinates","286747","2023-10-06","00:08:25",""
"7247363","7.0254","0.0003","8.4668","0.0004","13.4722","0.0006","82.729","0.004","86.836","0.004","75.912","0.004","770.76","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Cl N O -","- C19 H16 Cl N O -","- C38 H32 Cl2 N2 O2 -","2","1","","Li, Mengjuan; Li, Jingya; Zhang, Zhiguo; Chen, Liming; Ma, Nana; Liu, Qingfeng; Zhang, Xingjie; Zhang, Guisheng","Palladium-catalyzed intramolecular aza-Wacker-type cyclization of vinyl cyclopropanecarboxamides to access conformationally restricted aza[3.1.0]bicycles","RSC Advances","2023","13","39","27158","27166","10.1039/D3RA05440C","","","1.54184","CuKα","","0.0426","0.0405","","","0.1052","0.1066","","","","","","1.034","","","","has coordinates","286301","2023-09-12","00:56:11",""
"7247364","25.615","0.003","14.6148","0.0017","24.466","0.002","90","","113.576","0.004","90","","8394.5","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Dy N O59 P7 W12 -","- C32 H77 Dy N O59 P7 W12 -","- C128 H308 Dy4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.2048","0.1173","","","0.2661","0.311","","","","","","1.097","","","","has coordinates","287330","2023-11-06","07:19:35",""
"7247365","25.749","0.002","14.669","0.0013","24.645","0.003","90","","113.558","0.005","90","","8532.9","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Ho N O59 P7 W12 -","- C32 H77 Ho N O59 P7 W12 -","- C128 H308 Ho4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.155","0.0698","","","0.1308","0.1517","","","","","","1.07","","","","has coordinates","287330","2023-11-06","07:19:41",""
"7247366","25.235","0.003","14.4532","0.0016","24.186","0.003","90","","113.447","0.005","90","","8092.9","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 Tm W12 -","- C32 H77 N O59 P7 Tm W12 -","- C128 H308 N4 O236 P28 Tm4 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1695","0.0886","","","0.198","0.2335","","","","","","1.077","","","","has coordinates","287330","2023-11-06","07:19:55",""
"7247367","25.633","0.002","14.6214","0.0011","24.546","0.002","90","","113.451","0.004","90","","8439.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 W12 Yb -","- C32 H77 N O59 P7 W12 Yb -","- C128 H308 N4 O236 P28 W48 Yb4 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1408","0.0646","","","0.1169","0.1341","","","","","","1.08","","","","has coordinates","287330","2023-11-06","07:20:11",""
"7247368","25.703","0.002","14.6812","0.0013","24.6","0.002","90","","113.535","0.004","90","","8510.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er N O59 P7 W12 -","- C32 H77 Er N O59 P7 W12 -","- C128 H308 Er4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1433","0.0655","","","0.1175","0.1329","","","","","","1.063","","","","has coordinates","287330","2023-11-06","07:20:26",""
"7247369","25.34","0.002","14.4644","0.0013","24.289","0.002","90","","113.49","0.005","90","","8164.8","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Lu N O59 P7 W12 -","- C32 H77 Lu N O59 P7 W12 -","- C128 H308 Lu4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1369","0.0679","","","0.1305","0.1496","","","","","","1.018","","","","has coordinates","287330","2023-11-06","07:20:40",""
"7247370","19.7847","0.0006","10.1109","0.0003","35.7831","0.0012","90","","90.6793","0.0016","90","","7157.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O16 U2 -","- C30 H38 N2 O16 U2 -","- C240 H304 N16 O128 U16 -","8","2","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0534","0.0435","","","0.0891","0.0932","","","","","","1.123","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247371","11.6695","0.0004","12.5806","0.0005","14.2442","0.0004","87.165","0.0013","88.3831","0.0012","84.6902","0.0015","2079.07","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O24 U4 -","- C34 H32 N2 O24 U4 -","- C68 H64 N4 O48 U8 -","2","1","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0229","0.0217","","","0.0521","0.0526","","","","","","1.102","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247372","9.7035","0.0006","9.714","0.0006","10.6933","0.0007","79.359","0.004","75.201","0.003","71.662","0.003","919.03","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0318","0.0298","","","0.0753","0.0769","","","","","","1.069","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247373","11.3984","0.0003","11.401","0.0004","21.9898","0.0009","88.8056","0.0015","79.8563","0.0013","60.8371","0.001","2449.37","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0287","0.0245","","","0.0497","0.0515","","","","","","1.049","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247374","7.0461","0.0007","7.5519","0.0006","9.8725","0.0009","96.563","0.006","102.071","0.006","108.791","0.005","476.88","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0407","0.0365","","","0.0976","0.1019","","","","","","1.067","","","","has coordinates","286749","2023-10-06","00:08:40",""
"7247375","23.936","0.002","5.1742","0.0005","7.7436","0.0007","90","","90","","90","","959.04","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","0.71073","MoKα","","0.0892","0.0345","","","0.0591","0.0693","","","","","","0.827","","","","has coordinates","286749","2023-10-06","00:08:41",""
"7247376","4.9852","0.0003","9.8017","0.0006","10.6338","0.0007","67.729","0.004","86.664","0.004","83.011","0.004","477.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0614","0.0575","","","0.1578","0.1623","","","","","","1.094","","","","has coordinates,has disorder","286749","2023-10-06","00:08:41",""
"7247382","9.0998","0.0001","18.2094","0.0004","19.584","0.0004","90","","90.433","0.002","90","","3245.01","0.1","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl12 Cu2 N4 O4 -","- C60 H60 Cl12 Cu2 N4 O4 -","- C120 H120 Cl24 Cu4 N8 O8 -","2","0.5","","Kazimir, Aleksandr; Schwarze, Benedikt; Lönnecke, Peter; Jelača, Sanja; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Hey-Hawkins, Evamarie","Exploring the Potential of Tamoxifen-based Copper(II) Dichloride in Breast Cancer Therapy","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00344B","","","0.71073","MoKα","","0.0787","0.0545","","","0.1344","0.1484","","","","","","1.029","","","","has coordinates,has disorder","286314","2023-09-12","23:52:53",""
"7247383","8.9531","0.0003","9.9751","0.0003","11.6032","0.0003","81.655","0.003","89.531","0.002","72.972","0.003","979.7","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Xia, Wen; Yang, Yawen; Zhang, Xiaohui; Hu, Liangzhen; Xiong, Yan","Electrochemical synthesis of γ-keto sulfones containing a β-quaternary carbon center via 1,2-migration","Green Chemistry","2023","25","20","8273","8279","10.1039/D3GC02128A","","x-ray","1.54184","CuKα","","0.0455","0.038","","","0.1022","0.1098","","","","","","1.038","","","","has coordinates","287353","2023-11-06","07:43:13",""
"7247384","14.1955","0.0011","11.0133","0.0009","13.4688","0.001","90","","99.284","0.007","90","","2078.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C100 H96 O12 S4 -","4","1","","Xia, Wen; Yang, Yawen; Zhang, Xiaohui; Hu, Liangzhen; Xiong, Yan","Electrochemical synthesis of γ-keto sulfones containing a β-quaternary carbon center via 1,2-migration","Green Chemistry","2023","25","20","8273","8279","10.1039/D3GC02128A","","x-ray","0.71073","MoKα","","0.0788","0.0451","","","0.1043","0.1185","","","","","","1.023","","","","has coordinates","287353","2023-11-06","07:43:14",""
"7247385","12.187","0.011","12.588","0.012","18.681","0.016","90","","106.238","0.014","90","","2752","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Br N O6 -","- C34 H22 Br N O6 -","- C136 H88 Br4 N4 O24 -","4","1","","Gudise, Veera Babu; Anwar, Shaik","Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation","RSC Advances","2023","13","39","27456","27460","10.1039/D3RA04996E","","","0.71073","MoKα","","0.09","0.0586","","","0.1161","0.1293","","","","","","1.048","","","","has coordinates","286334","2023-09-14","01:02:02",""
"7247386","9.9122","0.0011","16.519","0.002","18.845","0.002","90","","103.554","0.006","90","","2999.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N O8 -","- C37 H27 N O8 -","- C148 H108 N4 O32 -","4","1","","Gudise, Veera Babu; Anwar, Shaik","Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation","RSC Advances","2023","13","39","27456","27460","10.1039/D3RA04996E","","","0.71073","MoKα","","0.0673","0.0451","","","0.1094","0.1236","","","","","","1.018","","","","has coordinates","286334","2023-09-14","01:02:18",""
"7247387","8.0225","0.0006","10.0191","0.0006","14.8134","0.001","77.743","0.003","83.426","0.004","81.286","0.003","1145.92","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O6 -","- C27 H20 N2 O6 -","- C54 H40 N4 O12 -","2","1","","Gudise, Veera Babu; Anwar, Shaik","Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation","RSC Advances","2023","13","39","27456","27460","10.1039/D3RA04996E","","","0.71073","MoKα","","0.0805","0.0618","","","0.1654","0.1828","","","","","","1.041","","","","has coordinates","286334","2023-09-14","01:02:21",""
"7247388","10.135","0.0004","12.5937","0.0005","16.0612","0.0006","109.954","0.002","97.699","0.002","95.951","0.002","1884.85","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N8 O4 Pd -","- C44 H36 N8 O4 Pd -","- C88 H72 N16 O8 Pd2 -","2","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","x-ray","0.71073","MoKα","","0.0521","0.0449","","","0.1122","0.1165","","","","","","1.054","","","","has coordinates","286335","2023-09-14","01:04:04",""
"7247389","10.707","0.0003","11.5157","0.0003","12.8117","0.0003","79.913","0.002","77.412","0.002","75.138","0.002","1478.16","0.07","99.99","0.1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 N8 O3 Pd -","- C26 H44 N8 O3 Pd -","- C52 H88 N16 O6 Pd2 -","2","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","1.54184","CuKα","","0.0276","0.0271","","","0.0716","0.072","","","","","","1.042","","","","has coordinates","286335","2023-09-14","01:04:05",""
"7247390","18.6757","0.0007","10.0915","0.0004","15.2442","0.0006","90","","90","","90","","2873.01","0.19","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H23 Cl2 I2 N5 Pd -","- C26 H23 Cl2 I2 N5 Pd -","- C104 H92 Cl8 I8 N20 Pd4 -","4","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","x-ray","0.71073","MoKα","","0.0351","0.0277","","","0.0558","0.0582","","","","","","1.06","","","","has coordinates","286335","2023-09-14","01:04:05",""
"7247391","15.7355","0.0002","26.5299","0.0003","18.7343","0.0002","90","","103.493","0.001","90","","7604.98","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Cl0 N8 O3 Pd -","- C38 H54 N8 O3 Pd -","- C304 H432 N64 O24 Pd8 -","8","2","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","1.54184","CuKα","","0.0923","0.0882","","","0.2182","0.2227","","","","","","1.057","","","","has coordinates,has disorder","286335","2023-09-14","01:04:05",""
"7247392","20.866","0.005","11.513","0.003","29.853","0.006","90","","90","","90","","7172","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H94 Cl2 N16 O6 Pd2 -","- C53 H94 Cl2 N16 O6 Pd2 -","- C212 H376 Cl8 N64 O24 Pd8 -","4","0.5","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","0.71073","MoKα","","0.1131","0.0688","","","0.1763","0.2035","","","","","","1.102","","","","has coordinates","286335","2023-09-14","01:04:06",""
"7247393","10.1442","0.0005","10.9745","0.0006","17.6401","0.0009","86.956","0.003","83.873","0.003","88.591","0.002","1949.5","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Cu3 I5 N4 -","- C28 H42 Cu3 I5 N4 -","- C56 H84 Cu6 I10 N8 -","2","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.097","0.0817","","","0.2356","0.2512","","","","","","1.085","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247394","15.6992","0.0012","16.7737","0.0012","12.7912","0.0009","90","","107.856","0.004","90","","3206.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cu2 F2 I4 N4 -","- C26 H36 Cu2 F2 I4 N4 -","- C104 H144 Cu8 F8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1132","0.0413","","","0.049","0.0587","","","","","","0.784","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247395","16.3175","0.0004","16.9139","0.0005","12.8313","0.0003","90","","107.318","0.002","90","","3380.8","0.16","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 Cu2 I4 N4 -","- C26 H36 Br2 Cu2 I4 N4 -","- C104 H144 Br8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1205","0.0418","","","0.0627","0.0798","","","","","","0.674","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247396","7.9774","0.0011","8.6192","0.0013","14.768","0.002","81.554","0.004","85.562","0.004","84.147","0.004","997.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","1","0.5","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0584","0.0457","","","0.1185","0.1272","","","","","","1.04","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247397","16.048","0.0005","16.8794","0.0005","12.8451","0.0004","90","","107.618","0.002","90","","3316.29","0.18","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Cu2 I4 N4 -","- C26 H36 Cl2 Cu2 I4 N4 -","- C104 H144 Cl8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0543","0.0328","","","0.0616","0.0683","","","","","","1.01","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247398","9.82977","0.00006","22.43648","0.00014","13.79565","0.00009","90","","108.608","0.0007","90","","2883.51","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 O21 Yb5 -","- C24 H12 O21 Yb5 -","- C96 H48 O84 Yb20 -","4","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.1","","","","has coordinates","287348","2023-11-06","07:28:49",""
"7247399","7.7973","0.0003","9.4775","0.0004","10.6851","0.0004","68.823","0.004","70.748","0.003","74.995","0.003","686.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O9 Yb -","- C12 H12 O9 Yb -","- C24 H24 O18 Yb2 -","2","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0471","0.0477","","","","","","1.05","","","","has coordinates,has disorder","287348","2023-11-06","07:29:02",""
"7247400","9.59605","0.0001","26.1011","0.0003","37.7873","0.0004","90","","90","","90","","9464.49","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 O30 Yb4 -","- C48 H36 O30 Yb4 -","- C384 H288 O240 Yb32 -","8","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0444","0.0344","","","0.0836","0.086","","","","","","1.076","","","","has coordinates","287348","2023-11-06","07:29:13",""
"7247401","13.989","0.003","7.878","0.0019","19.624","0.005","90","","101.67","0.007","90","","2118","0.9","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O8 S -","- C22 H20 N2 O8 S -","- C88 H80 N8 O32 S4 -","4","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0968","0.0577","","","0.1309","0.1466","","","","","","1.039","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247402","8.3923","0.0012","8.5678","0.0012","12.9934","0.0018","79.779","0.003","75.701","0.003","78.675","0.003","879.5","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 S -","- C19 H14 N2 O8 S -","- C38 H28 N4 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0452","0.0397","","","0.1053","0.1097","","","","","","1.046","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247403","8.4052","0.0013","9.4814","0.0014","13.366","0.002","102.279","0.004","106.083","0.004","94.691","0.004","988.8","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 O8 S -","- C18 H20 N3 O8 S -","- C36 H40 N6 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0569","0.0463","","","0.1252","0.1327","","","","","","1.054","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247404","7.5645","0.0008","11.3096","0.0012","18.1129","0.0019","95.837","0.003","97.142","0.003","99.33","0.003","1505.4","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O13 S3 -","- C26 H28 N4 O13 S3 -","- C52 H56 N8 O26 S6 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.1536","0.0857","","","0.1953","0.2262","","","","","","0.986","","","","has coordinates,has disorder","286748","2023-10-06","00:08:34",""
"7247405","5.6484","0.0004","8.1619","0.0006","15.8411","0.0012","81.03","0.002","85.54","0.002","76.678","0.002","701.29","0.09","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O5 S -","- C14 H13 N2 O5 S -","- C28 H26 N4 O10 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.055","0.0414","","","0.1035","0.1105","","","","","","1.049","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247406","18.2829","0.0009","20.7","0.0009","10.448","0.0005","90","","102.276","0.005","90","","3863.7","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H42 Mo8 N40 O22 -","- C16 H42 Mo8 N40 O22 -","- C32 H84 Mo16 N80 O44 -","2","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0475","0.0421","","","0.1234","0.127","","","","","","1.059","","","","has coordinates","287338","2023-11-06","07:24:59",""
"7247407","14.99","0.0002","31.7213","0.0004","46.9852","0.0006","90","","90","","90","","22341.6","0.5","100","0.1","100","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H88 Mo16 N32 Na8 O77 -","- C16 H40 Mo16 N32 Na8 O53 -","- C128 H320 Mo128 N256 Na64 O424 -","8","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0461","0.0434","","","0.1331","0.1357","","","","","","1.048","","","","has coordinates","287338","2023-11-06","07:25:02",""
"7247408","11.8391","0.0003","11.9219","0.0002","25.7883","0.0006","98.134","0.002","97.651","0.002","91.857","0.002","3566.31","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H47 Mo12 N32 Na4 O42 -","- C16 H23 Mo12 N32 Na4 O30 -","- C32 H46 Mo24 N64 Na8 O60 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0903","0.0764","","","0.1987","0.2098","","","","","","1.037","","","","has coordinates","287338","2023-11-06","07:25:03",""
"7247409","11.1739","0.0002","12.6845","0.0003","27.1349","0.0006","83.745","0.002","81.094","0.002","84.215","0.002","3763.17","0.14","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Mo6 N18 O16 -","- C36 H31 Mo6 N18 O16 -","- C72 H62 Mo12 N36 O32 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0892","0.0789","","","0.221","0.231","","","","","","1.051","","","","has coordinates","287338","2023-11-06","07:25:05",""
"7247410","18.5643","0.0012","15.172","0.0014","13.1988","0.0009","90","","104.662","0.003","90","","3596.5","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 O11 -","- C14 H22 N4 O11 -","- C112 H176 N32 O88 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0433","0.0424","","","0.1271","0.1282","","","","","","1.049","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247411","7.9228","0.0002","6.33067","0.00019","29.1969","0.0006","90","","95.122","0.002","90","","1458.57","0.06","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0533","0.042","","","0.1084","0.1155","","","","","","1.043","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247412","27.746","0.004","6.6694","0.001","17.362","0.003","90","","92.936","0.006","90","","3208.6","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C112 H144 N32 O72 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0783","0.0515","","","0.1334","0.1518","","","","","","1.04","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247413","8.8706","0.0005","9.1259","0.0005","11.3422","0.0004","80.367","0.004","69.633","0.004","67.65","0.005","795.46","0.08","213","0.1","213","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O5 -","- C16 H16 N4 O5 -","- C32 H32 N8 O10 -","2","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0458","0.0403","","","0.1092","0.1154","","","","","","1.04","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247414","14.3474","0.0005","4.428","0.0001","14.8423","0.0005","90","","109.905","0.001","90","","886.6","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 F O5 -","- C20 H21 F O5 -","- C40 H42 F2 O10 -","2","1","","Huo, Zhipeng; Min, Delin; Zhang, Shijie; Tang, Mei-Lin; Sun, Xun","Discovery of Novel Tubulin CBSI (R)-9k from Indanone Scaffold for the Treatment of Colorectal Cancer","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00337J","","","1.54178","CuKα","","0.0356","0.032","","","0.0844","0.0872","","","","","","1.078","","","","has coordinates","286368","2023-09-16","23:35:33",""
"7247415","15.9305","0.0005","7.0439","0.0002","15.4405","0.0006","90","","116.292","0.003","90","","1553.38","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxyma_B","Oxyma B","","- C6 H7 N3 O4 -","- C6 H7 N3 O4 -","- C48 H56 N24 O32 -","8","2","","Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio","An experimental and computational investigation of the elusive anhydrous form of Oxyma-B","CrystEngComm","2023","25","41","5818","5826","10.1039/D3CE00741C","powder diffraction","","1.54175","CuKα","","","","","","","","","14.3642","56.8","","","","","","","has coordinates","287335","2023-11-06","07:23:53",""
"7247416","7.3995","0.0009","8.2828","0.0012","12.5949","0.0018","90","","94.276","0.005","90","","769.77","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cu N8 O10 -","- C8 H10 Cu N8 O10 -","- C16 H20 Cu2 N16 O20 -","2","0.5","","Fachini, Lucas G.; Baptistella, Gabriel B.; Postal, Kahoana; Santana, Francielli S.; de Souza, Emanuel M.; Ribeiro, Ronny R.; Nunes, Giovana G.; Sá, Eduardo L.","A new approach to study semi-coordination using two 2-methyl-5-nitroimidazole copper(ii) complexes of biological interest as a model system","RSC Advances","2023","13","40","27997","28007","10.1039/D3RA02130K","","","0.71073","MoKα","","0.0335","0.0239","","","0.0587","0.0614","","","","","","1.061","","","","has coordinates","286444","2023-09-21","01:01:00",""
"7247417","6.714","0.002","10.504","0.004","14.095","0.005","90","","103.104","0.011","90","","968.1","0.6","201","2","201","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cu N8 O14 -","- C8 H18 Cu N8 O14 -","- C16 H36 Cu2 N16 O28 -","2","0.5","","Fachini, Lucas G.; Baptistella, Gabriel B.; Postal, Kahoana; Santana, Francielli S.; de Souza, Emanuel M.; Ribeiro, Ronny R.; Nunes, Giovana G.; Sá, Eduardo L.","A new approach to study semi-coordination using two 2-methyl-5-nitroimidazole copper(ii) complexes of biological interest as a model system","RSC Advances","2023","13","40","27997","28007","10.1039/D3RA02130K","","","0.71073","MoKα","","0.0282","0.0242","","","0.0668","0.0685","","","","","","1.082","","","","has coordinates","286444","2023-09-21","01:01:00",""
"7247418","27.0713","0.0011","9.526","0.0003","24.0085","0.001","90","","93.82","0.004","90","","6177.6","0.4","120","10","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 N22 O18 W -","- C50 H64 Dy2 N22 O18 W -","- C200 H256 Dy8 N88 O72 W4 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0694","0.0406","","","0.078","0.0819","","","","","","1.059","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247419","26.9939","0.0009","9.5351","0.0003","24.0996","0.0007","90","","93.714","0.003","90","","6190","0.3","120","0.1","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 Mo N22 O18 -","- C50 H64 Dy2 Mo N22 O18 -","- C200 H256 Dy8 Mo4 N88 O72 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0705","0.0426","","","0.0964","0.1","","","","","","0.866","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247420","10.5532","0.0009","11.6027","0.001","18.7684","0.0016","92.524","0.002","95.871","0.002","108.109","0.002","2165.8","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Dy Mo N15 O16.5 -","- C31 H39 Dy Mo N15 O16.5 -","- C62 H78 Dy2 Mo2 N30 O33 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0461","0.0365","","","0.0818","0.087","","","","","","1.046","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247421","10.4246","0.0011","11.7295","0.0011","18.732","0.0019","93.031","0.003","95.698","0.003","108.135","0.003","2157.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 Dy N15 O16.5 W -","- C29 H48 Dy N15 O16.5 W -","- C58 H96 Dy2 N30 O33 W2 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0488","0.0378","","","0.08","0.0847","","","","","","1.081","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247422","11.7573","0.0006","11.5545","0.0007","15.8209","0.001","90","","106.604","0.002","90","","2059.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cd N3 O7 S -","- C18 H21 Cd N3 O7 S -","- C72 H84 Cd4 N12 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","","0.71073","MoKα","","0.0458","0.0325","","","0.0672","0.0737","","","","","","1.081","","","","has coordinates","287347","2023-11-06","07:28:21",""
"7247423","11.5878","0.0012","17.7103","0.0012","13.2737","0.0013","90","","114.676","0.012","90","","2475.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cd N5 O7 S -","- C23 H23 Cd N5 O7 S -","- C92 H92 Cd4 N20 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0726","0.0587","","","0.1461","0.1531","","","","","","1.05","","","","has coordinates","287347","2023-11-06","07:28:23",""
"7247424","5.73025","0.00007","8.1274","0.00011","12.86566","0.00018","74.1108","0.0012","89.5736","0.0011","84.1958","0.0011","573.204","0.014","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","1","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0772","0.079","","","","","","1.104","","","","has coordinates","287347","2023-11-06","07:28:33",""
"7247425","7.364","0.0001","23.3599","0.0003","19.2032","0.0003","90","","93.423","0.001","90","","3297.49","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cd2 N14 O20 S2 -","- C62 H68 Cd2 N14 O20 S2 -","- C124 H136 Cd4 N28 O40 S4 -","2","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0428","0.0385","","","0.1035","0.1066","","","","","","1.077","","","","has coordinates","287347","2023-11-06","07:28:36",""
"7247426","11.053","0.012","11.22","0.012","13.17","0.014","80.21","0.03","80.56","0.03","75.51","0.03","1546","3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","","0.71073","MoKα","","0.0521","0.0354","","","0.0569","0.0632","","","","","","1.066","","","","has coordinates","287337","2023-11-06","07:24:33",""
"7247427","10.8225","0.0003","11.1813","0.0003","12.9331","0.0004","79.542","0.003","79.911","0.002","75.815","0.002","1478.02","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","x-ray","1.54178","CuKα","","0.0792","0.0783","","","0.2215","0.2218","","","","","","1.179","","","","has coordinates","287337","2023-11-06","07:24:44",""
"7247428","6.437","0.0003","10.9513","0.0004","11.34","0.0006","102.588","0.004","102.906","0.004","91.799","0.003","757.77","0.06","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Bouone, Yousra Ouafa; Bouzina, Abdeslem; Sayad, Rayene; Djemel, Abdelhak; Benaceur, Farouk; Zoukel, Abdelhalim; Ibrahim-Ouali, Malika; Aouf, Nour-Eddine; Bouchareb, Fouzia","BiCl3-catalyzed green synthesis of 4-hydroxy-2-quinolone analogues under microwave irradiation","RSC Advances","2023","13","40","28030","28041","10.1039/D3RA05289C","","x-ray","0.71073","MoKα","","0.0799","0.0552","","","0.1414","0.1579","","","","","","1.043","","","","has coordinates","286464","2023-09-22","01:12:24",""
"7247429","15.7355","0.0006","8.0029","0.0003","31.7701","0.0013","90","","90","","90","","4000.8","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C232 H136 N8 S8 -","8","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.1263","0.0904","","","0.2221","0.2562","","","","","","0.891","","","","has coordinates","287331","2023-11-06","07:21:14",""
"7247430","13.152","0.0005","14.0836","0.0005","12.0152","0.0005","90","","115.009","0.001","90","","2016.88","0.14","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0596","0.0427","","","0.1018","0.1161","","","","","","1.063","","","","has coordinates","287331","2023-11-06","07:21:20",""
"7247431","7.731","0.0006","8.1036","0.0005","32.103","0.002","90","","90","","90","","2011.2","0.2","294","2","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0911","0.0421","","","0.084","0.1063","","","","","","1.085","","","","has coordinates","287331","2023-11-06","07:21:25",""
"7247432","9.4617","0.0005","11.8672","0.0007","13.219","0.0008","90","","90","","90","","1484.28","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","NM-1287","","- C17 H18 S -","- C17 H18 S -","- C68 H72 S4 -","4","1","","Mukherjee, Nilanjana; Chatterjee, Tanmay","Recyclable iodine-catalyzed oxidative C–H chalcogenation of 1,1-diarylethenes in water: green synthesis of trisubstituted vinyl sulfides and selenides","Green Chemistry","2023","25","21","8798","8807","10.1039/D3GC02999A","","x-ray","1.54184","CuKα","","0.0484","0.042","","","0.1146","0.1227","","","","","","1.084","","","","has coordinates","287360","2023-11-06","07:45:05",""
"7247433","8.19","0.0003","10.9737","0.0003","16.0251","0.0005","92.841","0.001","98.85","0.001","91.328","0.001","1420.66","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","2","","Mei, Lan; Shu, Xiao-Rong; Liu, Fa-Liang; Li, Jiao-Zhe; Zhang, Jian-Feng; Tang, Keqi; Wei, Wen-Ting","Multicomponent hydrosulfonylation of alkynes for the synthesis of vinyl sulfones","Green Chemistry","2023","25","21","8820","8825","10.1039/D3GC02284F","","","0.71073","MoKα","","0.0973","0.0571","","","0.1096","0.1341","","","","","","1.031","","","","has coordinates","287357","2023-11-06","07:44:25",""
"7247434","14.147","0.004","16.117","0.004","18.997","0.005","90","","105.971","0.005","90","","4164.3","1.9","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 B3 Cl2 Co F12 N8 -","- C41 H31 B3 Cl2 Co F12 N8 -","- C164 H124 B12 Cl8 Co4 F48 N32 -","4","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","0.71073","MoKα","","0.0787","0.0569","","","0.1465","0.1596","","","","","","1.091","","","","has coordinates,has disorder","286484","2023-09-23","01:08:52",""
"7247435","8.7498","0.0003","25.9051","0.0008","8.5927","0.0003","90","","90.761","0.002","90","","1947.49","0.11","130","2","130","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H31 B2 Co F8 N9 -","- C42 H31 B2 Co F8 N9 -","- C84 H62 B4 Co2 F16 N18 -","2","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","1.54178","CuKα","","0.0613","0.0553","","","0.1335","0.1373","","","","","","1.073","","","","has coordinates,has disorder","286484","2023-09-23","01:08:53",""
"7247436","14.1345","0.0006","15.9916","0.0007","18.7291","0.0008","90","","105.142","0.003","90","","4086.4","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 B3 F12 Fe N8 -","- C40 H29 B3 F12 Fe N8 -","- C160 H116 B12 F48 Fe4 N32 -","4","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","1.54178","CuKα","","0.1342","0.1048","","","0.2103","0.2263","","","","","","1.082","","","","has coordinates,has disorder","286484","2023-09-23","01:08:53",""
"7247437","10.7008","0.0004","13.6759","0.0003","11.2342","0.0005","90","","113.51","0.005","90","","1507.58","0.11","180","0.1","180","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 Co I O3 P S -","- C29 H31 Cl2 Co I O3 P S -","- C58 H62 Cl4 Co2 I2 O6 P2 S2 -","2","1","","Ma, Shuang-Shuang; Sun, Rui; Zhang, Zi-Heng; Guan, Peng-Xin; Lin, Jin-Qing; Li, Chun-Shan; Xu, Bao-Hua","Co(dppbsa)-catalyzed reductive N,N-dimethylation of nitroaromatics with CO2 and hydrosilane","Green Chemistry","2023","25","21","8625","8632","10.1039/D3GC02517A","","x-ray","0.71073","MoKα","","0.049","0.0403","","","0.0837","0.0883","","","","","","1.018","","","","has coordinates,has disorder","287361","2023-11-06","07:45:21",""
"7247438","9.8862","0.0004","11.8127","0.0005","12.3102","0.0005","93.827","0.003","93.94","0.003","111.868","0.004","1324.38","0.1","102","3","102","3","","","","","","","","3","P -1","-P 1","2","","3TCNQ2NPE","","- C35 H19 N7 -","- C35 H19 N7 -","- C70 H38 N14 -","2","1","","Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M.","Comparing the structures and photophysical properties of two charge transfer co-crystals.","Physical chemistry chemical physics : PCCP","2023","25","40","27065","27074","10.1039/d3cp03720g","","x-ray","1.54184","CuKα","","0.0431","0.0372","","","0.1021","0.1073","","","","","","1.031","","","","has coordinates","287424","2023-11-06","08:30:12",""
"7247439","6.7312","0.0003","36.6599","0.0013","9.515","0.0004","90","","106.283","0.004","90","","2253.79","0.17","99.95","0.1","99.95","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 N5 -","- C27 H15 N5 -","- C108 H60 N20 -","4","1","","Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M.","Comparing the structures and photophysical properties of two charge transfer co-crystals.","Physical chemistry chemical physics : PCCP","2023","25","40","27065","27074","10.1039/d3cp03720g","","x-ray","1.54184","CuKα","","0.1331","0.1237","","","0.333","0.3397","","","","","","1.085","","","","has coordinates,has disorder","287424","2023-11-06","08:30:22",""
"7247440","16.5928","0.0005","7.2752","0.0002","39.3538","0.0012","90","","90","","90","","4750.6","0.2","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H25 Fe N O2 -","- C33 H25 Fe N O2 -","- C264 H200 Fe8 N8 O16 -","8","1","","Angela, Varghese Maria; Harshini, Deivendran; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai. S. P.; Nagarajan, Samuthira","Efficient ternary WORM memory devices from quinoline-based D–A systems by varying the redox behavior of ferrocene","RSC Advances","2023","13","41","28416","28425","10.1039/D3RA05685F","","","0.71073","MoKα","","0.0516","0.0458","","","0.11","0.1143","","","","","","1.066","","","","has coordinates","286551","2023-09-27","01:21:07",""
"7247441","11.5519","0.0005","21.2965","0.0011","9.1698","0.0005","90","","128.825","0.0015","90","","1757.5","0.16","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Preeti,; Raza, Asif; Anand, Amit; Henry, Natacha; Sharma, Arun K.; Roussel, Pascal; Kumar, Vipan","Stereo/regio-selective access to substituted 3-hydroxy-oxindoles with anti-proliferative assessment and in silico validation","RSC Advances","2023","13","41","28434","28443","10.1039/D3RA05869G","","x-ray","0.71073","MoKα","","0.0515","0.0419","","","0.1003","0.1056","","","","","","1.039","","","","has coordinates","286571","2023-09-28","01:00:55",""
"7247442","7.0782","0.0007","12.8899","0.0012","17.2503","0.0015","90","","90","","90","","1573.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0359","0.0339","","","0.0878","0.0896","","","","","","1.079","","","","has coordinates","287350","2023-11-06","07:29:57",""
"7247443","11.404","0.008","12.721","0.008","15.241","0.011","90","","109.811","0.008","90","","2080","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0433","0.0397","","","0.1051","0.1084","","","","","","1.085","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247444","22.923","0.003","11.7148","0.0014","11.64","0.0018","90","","92.091","0.006","90","","3123.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0609","0.0508","","","0.1253","0.1327","","","","","","1.12","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247445","18.809","0.003","3.8575","0.0006","29.184","0.005","90","","98.486","0.007","90","","2094.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0477","0.0362","","","0.079","0.0829","","","","","","1.043","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247446","10.5285","0.0011","7.097","0.0007","19.468","0.002","90","","99.747","0.007","90","","1433.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 N2 O -","- C16 H12 Cl2 N2 O -","- C64 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0646","0.0451","","","0.0904","0.097","","","","","","1.073","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247447","10.3339","0.0014","7.2993","0.001","14.544","0.0019","90","","104.972","0.007","90","","1059.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0407","0.0343","","","0.084","0.0875","","","","","","1.05","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247448","5.789","0.007","14.243","0.019","12.602","0.016","90","","98.64","0.03","90","","1027","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.035","0.032","","","0.0829","0.0849","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247449","10.5269","0.0011","12.0193","0.0012","13.2546","0.0014","90","","113.08","0.005","90","","1542.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0454","0.0355","","","0.0803","0.0842","","","","","","1.053","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247450","7.4028","0.0009","7.9597","0.001","9.349","0.0012","100.674","0.007","94.021","0.007","100.27","0.007","529.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","1","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0577","0.0426","","","0.0979","0.1052","","","","","","1.054","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247451","3.8427","0.0006","17.047","0.003","11.6457","0.0018","90","","97.752","0.007","90","","755.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0535","0.0418","","","0.0736","0.0769","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247452","7.9894","0.0016","9.4955","0.0019","15.762","0.003","85.572","0.006","79.226","0.006","71.653","0.005","1114.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 N2 O2 -","- C24 H16 Cl4 N2 O2 -","- C48 H32 Cl8 N4 O4 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.1219","0.0616","","","0.1145","0.1343","","","","","","1.019","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247453","8.0784","0.0006","8.0784","0.0006","32.831","0.005","90","","90","","90","","2142.6","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0308","0.0302","","","0.0768","0.0772","","","","","","1.095","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247454","8.127","0.0015","8.5365","0.0015","11.656","0.002","75.042","0.005","86.122","0.006","78.916","0.006","766.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0452","0.0367","","","0.0887","0.0928","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247455","20.8278","0.0003","14.7244","0.0003","7.739","0.0002","90","","93.831","0.002","90","","2368.07","0.09","299.6","0.7","299.6","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Mn N4 O5 -","- C25 H24 Mn N4 O5 -","- C100 H96 Mn4 N16 O20 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.0815","0.0875","","","","","","1.042","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247456","20.3665","0.001","4.5514","0.0002","21.1136","0.0009","90","","101.761","0.005","90","","1916.06","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10.5 H9 Mn0.5 N2 O3 -","- C10.5 H9 Mn0.5 N2 O3 -","- C84 H72 Mn4 N16 O24 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0799","0.0516","","","0.1153","0.1294","","","","","","1.046","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247457","22.1459","0.0003","12.0673","0.0002","12.5517","0.0002","90","","90","","90","","3354.33","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Mn2 N10 O13 -","- C24 H28 Mn2 N10 O13 -","- C96 H112 Mn8 N40 O52 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0892","0.0876","","","0.2234","0.2242","","","","","","1.191","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247458","11.4647","0.0004","15.947","0.0006","13.4871","0.0003","90","","90","","90","","2465.81","0.14","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H11 Mn N4 O6.5 -","- C9 H11 Mn N4 O6.5 -","- C72 H88 Mn8 N32 O52 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0639","0.0396","","","0.0759","0.086","","","","","","1.032","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247459","14.414","0.003","10.48","0.002","7.74","0.0015","90","","105.64","0.03","90","","1125.9","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Mn N4 O6 -","- C9 H10 Mn N4 O6 -","- C36 H40 Mn4 N16 O24 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","Synchrotron","","0.0722","0.0645","","","0.1695","0.1761","","","","","","1.093","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247460","12.318","0.003","12.9645","0.0013","9.0482","0.0012","90","","107.377","0.015","90","","1379","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H23 Mn2 N9 O11 -","- C21 H23 Mn2 N9 O11 -","- C42 H46 Mn4 N18 O22 -","2","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0672","0.0618","","","0.1626","0.1673","","","","","","1.084","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247461","23.2881","0.0007","10.4868","0.0002","24.8587","0.0008","90","","114.461","0.004","90","","5526","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H18.83 Mn N4.83 O4.83 -","- C23.4999 H18.8331 Mn N4.8333 O4.8333 -","- C187.999 H150.665 Mn8 N38.6664 O38.6664 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0939","0.0825","","","0.2457","0.2577","","","","","","1.04","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247462","9.1364","0.0001","16.5273","0.0003","21.5295","0.0003","90","","101.798","0.001","90","","3182.28","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Mn2 N8 O12 -","- C26 H36 Mn2 N8 O12 -","- C104 H144 Mn8 N32 O48 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","MoKα","","0.0526","0.0365","","","0.0791","0.086","","","","","","1.038","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247463","9.115","0.0004","9.115","0.0004","10.2056","0.0006","90","","90","","90","","847.91","0.07","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","sodium cobalt (II, III) posphate cloride","","- Cl4 Co7.38 Na O16 P4 -","- Cl4 Co7.38 Na O16 P4 -","- Cl8 Co14.76 Na2 O32 P8 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga","NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype","CrystEngComm","2023","25","43","6006","6016","10.1039/D3CE00819C","","","0.71073","MoKα","","0.0172","0.0164","","","0.0358","0.036","","","","","","1.302","","","","has coordinates","288778","2024-01-06","07:54:54",""
"7247464","26.806","0.004","7.7681","0.001","20.357","0.003","90","","112.251","0.003","90","","3923.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N7 O11 -","- C16 H11 N7 O11 -","- C128 H88 N56 O88 -","8","2","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.1105","0.0702","","","0.1647","0.187","","","","","","1.054","","","","has coordinates","287336","2023-11-06","07:24:10",""
"7247465","6.2299","0.0006","7.4168","0.0007","12.7696","0.0012","103.819","0.003","90.179","0.003","95.701","0.003","569.9","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","1","0.5","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.0898","0.0503","","","0.1166","0.1346","","","","","","1.016","","","","has coordinates","287336","2023-11-06","07:24:15",""
"7247466","10.7713","0.0016","13.241","0.0018","13.3621","0.0018","90","","108.828","0.005","90","","1803.8","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Gowda, Darshini; Harsha, Kachigere B.; Shalini, Veeresha Gowda; Rangappa, Shobith; Rangappa, Kanchugarakoppal S.","Microwave assisted one-pot access to pyrazolo quinolinone and tetrahydroisoxazolo quinolinone derivatives via T3P®-DMSO catalysed tandem oxidative–condensation reaction","RSC Advances","2023","13","40","28362","28370","10.1039/D3RA05235D","","","0.71073","MoKα","","0.0669","0.0487","","","0.1237","0.1385","","","","","","1.031","","","","has coordinates","286647","2023-10-04","01:15:17",""
"7247467","15.3694","0.0003","5.216","0.0001","22.3953","0.0005","90","","97.797","0.002","90","","1778.76","0.06","200","0.1","200","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0496","0.0426","","","0.1139","0.1191","","","","","","1.022","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247468","12.7762","0.0004","5.23515","0.00015","14.4736","0.0005","90","","111.409","0.004","90","","901.27","0.06","260.01","0.1","260.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.049","0.0418","","","0.1185","0.1241","","","","","","1.059","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247469","12.8223","0.0005","5.245","0.0002","14.5064","0.0005","90","","111.569","0.004","90","","907.28","0.06","290","0.1","290","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0519","0.0433","","","0.1203","0.1268","","","","","","1.08","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247470","12.8072","0.0004","5.24245","0.00015","14.4951","0.0004","90","","111.513","0.004","90","","905.42","0.05","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0516","0.0436","","","0.1207","0.1273","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247471","12.747","0.0004","5.22886","0.00014","14.4507","0.0004","90","","111.302","0.003","90","","897.37","0.05","239.99","0.1","239.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0465","0.0404","","","0.1106","0.1152","","","","","","1.045","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247472","12.7632","0.0004","5.23201","0.00015","14.4635","0.0004","90","","111.364","0.004","90","","899.46","0.05","250","0.1","250","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1148","0.1196","","","","","","1.069","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247473","15.4013","0.0004","5.2236","0.0001","22.451","0.0006","90","","97.71","0.002","90","","1789.86","0.08","230","0.1","230","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0652","0.0482","","","0.1485","0.162","","","","","","1.06","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247474","15.3811","0.0003","5.21845","0.00012","22.4123","0.0005","90","","97.767","0.002","90","","1782.43","0.07","210","0.1","210","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0429","","","0.1207","0.1272","","","","","","1.049","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247475","15.3909","0.0004","5.22159","0.00012","22.4298","0.0006","90","","97.735","0.002","90","","1786.17","0.08","220","0.1","220","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0562","0.0451","","","0.1346","0.1434","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247476","12.7932","0.0005","5.23468","0.00018","14.4811","0.0006","90","","111.423","0.005","90","","902.77","0.07","269.99","0.1","269.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0424","","","0.1159","0.1232","","","","","","1.04","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247477","15.4043","0.0004","5.2267","0.0001","22.4631","0.0006","90","","97.697","0.003","90","","1792.29","0.08","235","0.1","235","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0696","0.0493","","","0.1505","0.165","","","","","","1.071","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247478","7.1034","0.0006","7.4941","0.0006","15.5567","0.0012","100.593","0.003","91.274","0.003","111.564","0.003","753.39","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","2","","Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations","CrystEngComm","2023","25","45","6279","6290","10.1039/D3CE00766A","","","0.71073","MoKα","","0.077","0.0584","","","0.1461","0.154","","","","","","1.147","","","","has coordinates,has disorder","288807","2024-01-06","08:05:42",""
"7247479","11.4448","0.0003","8.3202","0.0002","20.9237","0.0006","90","","104.738","0.001","90","","1926.87","0.09","134.68","","134.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N5 O4 -","- C20 H23 N5 O4 -","- C80 H92 N20 O16 -","4","1","","Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong","Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation","Green Chemistry","2023","25","21","8494","8499","10.1039/D3GC02932H","","x-ray","1.54178","CuKα","","0.0575","0.0491","","","0.1279","0.1358","","","","","","1.046","","","","has coordinates","287359","2023-11-06","07:44:56",""
"7247480","44.243","0.001","19.9018","0.0006","17.7791","0.0006","90","","110.985","0.002","90","","14616.5","0.8","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32.05 H47.58 N5 O8.68 Si -","- C32.0517 H47.577 N5 O8.67675 Si -","- C512.828 H761.232 N80 O138.828 Si16 -","16","4","","Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong","Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation","Green Chemistry","2023","25","21","8494","8499","10.1039/D3GC02932H","","x-ray","1.54178","CuKα","","0.0799","0.0569","","","0.1498","0.1661","","","","","","1.05","","","","has coordinates,has disorder","287359","2023-11-06","07:44:56",""
"7247481","13.6491","0.0008","16.3995","0.0007","15.8476","0.0009","90","","102.302","0.005","90","","3465.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 -","- C36 H42 N8 O6 -","- C144 H168 N32 O24 -","4","1","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0607","0.0407","","","0.1011","0.1075","","","","","","0.952","","","","has coordinates","287333","2023-11-06","07:21:41",""
"7247482","16.4758","0.0008","14.6068","0.0009","19.2419","0.001","90","","114.749","0.004","90","","4205.4","0.4","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0675","0.0593","","","0.1649","0.172","","","","","","1.101","","","","has coordinates","287333","2023-11-06","07:21:53",""
"7247483","12.8143","0.0007","17.6436","0.001","14.6798","0.0009","90","","90","","90","","3319","0.3","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H42 Cl Co N10 O8 -","- C26 H42 Cl Co N10 O8 -","- C104 H168 Cl4 Co4 N40 O32 -","4","0.5","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0752","0.0716","","","0.2265","0.2322","","","","","","1.048","","","","has coordinates,has disorder","286862","2023-10-10","01:24:09",""
"7247484","10.3465","0.0004","15.4956","0.0006","20.7242","0.0009","105.535","0.001","101.074","0.001","97.799","0.001","3079.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 Cl2 Co3 N12 O8 S4 -","- C52 H70 Cl2 Co3 N12 O8 S4 -","- C104 H140 Cl4 Co6 N24 O16 S8 -","2","1","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0527","0.0465","","","0.1099","0.1143","","","","","","1.05","","","","has coordinates,has disorder","286862","2023-10-10","01:24:10",""
"7247485","8.278","0.0006","13.6175","0.0009","15.2737","0.001","68.354","0.002","82.668","0.002","86.839","0.002","1587.18","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl10 Co2 N14 O15 -","- C44 H58 Cl10 Co2 N14 O15 -","- C44 H58 Cl10 Co2 N14 O15 -","1","0.5","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0553","0.0498","","","0.142","0.1484","","","","","","1.035","","","","has coordinates","286862","2023-10-10","01:24:10",""
"7247486","15.093","0.0006","8.0955","0.0003","20.7666","0.0007","90","","105.204","0.002","90","","2448.56","0.16","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F O S -","- C3.29412 H2.82353 F0.235294 O0.470588 S0.117647 -","- C112 H96 F8 O16 S4 -","34","8.5","","Li, Jiayu; Guo, Zipeng; Zhang, Xiaofeng; Meng, Xiaoli; Dai, Zhenyang; Gao, Meiyun; Guo, Shuo; Tang, Pingping","Light-induced aryldifluoromethyl-sulfonylation/thioetherification of alkenes using arenethiolates as a photoreductant and sulfur source","Green Chemistry","2023","25","22","9292","9300","10.1039/D3GC03471B","","","0.71073","MoKα","","0.0705","0.0443","","","0.1176","0.1329","","","","","","1.042","","","","has coordinates","288820","2024-01-06","08:24:09",""
"7247487","29.1334","0.0015","8.9809","0.0005","18.4512","0.001","90","","113.468","0.002","90","","4428.3","0.4","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H18.86 F6 N Na O9 S2 -","- C12 H18.86 F6 N Na O9 S2 -","- C96 H150.88 F48 N8 Na8 O72 S16 -","8","1","","Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi","Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes.","Physical chemistry chemical physics : PCCP","2023","25","40","27836","27847","10.1039/d3cp02614k","","","0.71073","MoKα","","0.0995","0.0845","","","0.2379","0.259","","","","","","0.974","","","","has coordinates,has disorder","287425","2023-11-06","08:30:34",""
"7247488","29.292","0.013","9.039","0.004","18.545","0.009","90","","113.231","0.014","90","","4512","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 F6 N Na O9 S2 -","- C12 H20 F6 N Na O9 S2 -","- C96 H160 F48 N8 Na8 O72 S16 -","8","1","","Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi","Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes.","Physical chemistry chemical physics : PCCP","2023","25","40","27836","27847","10.1039/d3cp02614k","","","0.71073","MoKα","","0.1833","0.1478","","","0.4292","0.4546","","","","","","3.055","","","","has coordinates,has disorder","287425","2023-11-06","08:30:34",""
"7247489","8.6128","0.0003","11.9192","0.0003","14.6382","0.0004","93.623","0.002","94.957","0.003","93.773","0.002","1490.27","0.08","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","","N-methyl-N-propylpyrrolidinium (tetrakis)hexafluoroisopropoxy borate","","- C20 H22 B F24 N O4 -","- C20 H22 B F24 N O4 -","- C40 H44 B2 F48 N2 O8 -","2","1","","Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega","Fluoroborate ionic liquids as sodium battery electrolytes.","Physical chemistry chemical physics : PCCP","2023","25","40","27718","27730","10.1039/d3cp03694d","","","1.54184","CuKα","","0.0528","0.0455","","","0.1268","0.1329","","","","","","1.097","","","","has coordinates","287423","2023-11-06","08:29:37",""
"7247490","9.0301","0.0003","9.92","0.0003","14.9196","0.0004","85.444","0.003","80.521","0.003","77.435","0.003","1285.34","0.07","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","","iso-butyl(diethyl)methyl phosphonium (tetrakis)trifluoroethoxy borate","","- C17 H30 B F12 O4 P -","- C17 H30 B F12 O4 P -","- C34 H60 B2 F24 O8 P2 -","2","1","","Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega","Fluoroborate ionic liquids as sodium battery electrolytes.","Physical chemistry chemical physics : PCCP","2023","25","40","27718","27730","10.1039/d3cp03694d","","","1.54184","CuKα","","0.0826","0.0705","","","0.1625","0.1695","","","","","","1.047","","","","has coordinates,has disorder","287423","2023-11-06","08:29:42",""
"7247491","17.6281","0.0002","18.6841","0.0002","28.371","0.0003","90","","96.401","0.001","90","","9286.17","0.18","123.15","","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-methyl-N-propylpyrrolidinium (tetrakis)trifluoroethoxy borate","","- C16 H26 B F12 N O4 -","- C16 H26 B F12 N O4 -","- C256 H416 B16 F192 N16 O64 -","16","4","","Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega","Fluoroborate ionic liquids as sodium battery electrolytes.","Physical chemistry chemical physics : PCCP","2023","25","40","27718","27730","10.1039/d3cp03694d","","","1.54184","CuKα","","0.1351","0.1216","","","0.3503","0.3587","","","","","","1.069","","","","has coordinates,has disorder","287423","2023-11-06","08:29:56",""
"7247492","14.6261","0.001","30.7775","0.0017","20.8709","0.0014","90","","106.865","0.007","90","","8991.1","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C86 H62 Cl3 F9 N3 O3 P3 Pd3 S4 -","- C86 H62 Cl3 F9 N3 O3 P3 Pd3 S4 -","- C344 H248 Cl12 F36 N12 O12 P12 Pd12 S16 -","4","1","","Wang, Miaomiao; He, Zhixin; Chen, Meng; Wang, Yanlan","Aryl sulfonate anion stabilized aromatic triangular cation [Pd3]+: syntheses, structures and properties","RSC Advances","2023","13","42","29689","29694","10.1039/D3RA04460B","","","1.54184","CuKα","","0.1381","0.0671","","","0.1596","0.2062","","","","","","0.938","","","","has coordinates","286889","2023-10-11","01:25:39",""
"7247493","10.9437","0.0002","21.7335","0.0003","25.2207","0.0004","90","","90","","90","","5998.61","0.17","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C160 H200 Ag12 Cl16 F72 N8 P12 S32 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0732","0.0608","","","0.1562","0.1647","","","","","","1.045","","","","has coordinates,has disorder","288780","2024-01-06","07:55:17",""
"7247494","11.5778","0.0007","12.0547","0.0007","12.4212","0.0008","90","","111.23","0.004","90","","1615.94","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H31 Ag2 F6 N O6 S4 -","- C25 H31 Ag2 F6 N O6 S4 -","- C50 H62 Ag4 F12 N2 O12 S8 -","2","1","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0349","0.032","","","0.0659","0.0675","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:27",""
"7247495","24.3861","0.0009","10.5716","0.0004","24.9876","0.0009","90","","106.3","0.002","90","","6182.9","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C172 H192 Ag16 Cl8 F48 N8 O48 S48 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0438","0.0365","","","0.0921","0.097","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:29",""
"7247496","11.3392","0.0006","5.6836","0.0002","24.2274","0.0011","90","","93.381","0.002","90","","1558.68","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 S -","- C20 H12 N2 S -","- C80 H48 N8 S4 -","4","1","","Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar","Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives.","Physical chemistry chemical physics : PCCP","2023","25","42","29327","29340","10.1039/d3cp03318j","","","0.71073","MoKα","","0.0689","0.0498","","","0.1226","0.1432","","","","","","1.08","","","","has coordinates","287421","2023-11-06","08:28:20",""
"7247497","18.867","0.005","10.278","0.003","8.239","0.002","90","","92.057","0.011","90","","1596.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 S -","- C18 H16 N2 S -","- C72 H64 N8 S4 -","4","1","","Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar","Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives.","Physical chemistry chemical physics : PCCP","2023","25","42","29327","29340","10.1039/d3cp03318j","","","0.71073","MoKα","","0.1407","0.1005","","","0.2729","0.2919","","","","","","1.162","","","","has coordinates,has disorder","287421","2023-11-06","08:28:30",""
"7247498","11.19827","0.00002","27.60749","0.00006","18.08478","0.00004","90","","90.5504","0.0002","90","","5590.76","0.02","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H35.787 O2 Si2 -","- C48 H35.7873 O2 Si2 -","- C288 H214.724 O12 Si12 -","6","3","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","x-ray","1.54184","CuKα","","0.0365","0.0358","","","0.1006","0.1014","","","","","","1.0446","","","","has coordinates,has disorder","287420","2023-11-06","08:28:02",""
"7247499","10.4534","0.0001","12.101","0.0001","13.6441","0.0001","110.811","0.001","104.524","0.001","95.283","0.001","1530.15","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 O2 Si2 -","- C40 H32 O2 Si2 -","- C80 H64 O4 Si4 -","2","1","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","x-ray","1.54184","CuKα","","0.041","0.0386","","","0.1022","0.1042","","","","","","1.0412","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247500","11.2799","0.0005","17.2391","0.0008","18.9684","0.0007","90","","102.339","0.001","90","","3603.3","0.3","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 O2 Si2 -","- C48 H36 O2 Si2 -","- C192 H144 O8 Si8 -","4","1","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","","0.71073","MoKα","","0.0412","0.0336","","","0.0823","0.0855","","","","","","1.0344","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247501","11.5209","0.0005","11.6461","0.0005","28.3488","0.0012","90.306","0.002","91.906","0.002","101.613","0.002","3723.5","0.3","223.15","","223.15","","","","","","","","","4","P 1","P 1","1","","","","- C48 H36 O2 Si2 -","- C48 H36 O2 Si2 -","- C192 H144 O8 Si8 -","4","4","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","","1.54178","CuKα","","0.0636","0.0609","","","0.1655","0.1751","","","","","","1.0498","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247502","7.9884","0.0006","8.0941","0.0007","22.3164","0.0018","98.388","0.004","95.725","0.004","106.622","0.004","1352.55","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H42 N4 O Zn2 -","- C27 H42 N4 O Zn2 -","- C54 H84 N8 O2 Zn4 -","2","1","","Glöckler, Eduard; Kapp, Leon; Wölper, Christoph; Schumacher, Marcel; Gröschel, André H.; Schulz, Stephan","Homoleptic and heteroleptic ketodiiminate zinc complexes for the ROP of cyclic l-lactide","RSC Advances","2023","13","43","29879","29885","10.1039/D3RA06529D","","","0.71073","MoKα","","0.0406","0.029","","","0.064","0.0679","","","","","","1.04","","","","has coordinates","286954","2023-10-13","01:40:22",""
"7247503","8.0513","0.0004","12.3749","0.0006","14.7581","0.0007","81.3299","0.0017","81.655","0.0017","74.9858","0.0017","1395.29","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 N4 O Zn -","- C27 H48 N4 O Zn -","- C54 H96 N8 O2 Zn2 -","2","1","","Glöckler, Eduard; Kapp, Leon; Wölper, Christoph; Schumacher, Marcel; Gröschel, André H.; Schulz, Stephan","Homoleptic and heteroleptic ketodiiminate zinc complexes for the ROP of cyclic l-lactide","RSC Advances","2023","13","43","29879","29885","10.1039/D3RA06529D","","","1.54178","CuKα","","0.0421","0.038","","","0.099","0.104","","","","","","1.062","","","","has coordinates,has disorder","286954","2023-10-13","01:40:23",""
"7247504","8.5815","0.0005","10.7155","0.0004","14.7219","0.0008","71.656","0.004","78.877","0.005","85.997","0.004","1260.76","0.12","169.98","0.11","169.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl4 Fe2 N4 P2 -","- C46 H50 Cl4 Fe2 N4 P2 -","- C46 H50 Cl4 Fe2 N4 P2 -","1","0.5","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.1141","0.1022","","","0.2587","0.2686","","","","","","1.063","","","","has coordinates,has disorder","286955","2023-10-13","01:42:20",""
"7247505","10.4843","0.0001","12.9441","0.0001","14.1716","0.0001","90","","108.937","0.001","90","","1819.13","0.03","170","0.11","170","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Fe N2 P -","- C38 H47 Cl2 Fe N2 P -","- C76 H94 Cl4 Fe2 N4 P2 -","2","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.064","0.0636","","","0.1646","0.1649","","","","","","1.065","","","","has coordinates","286955","2023-10-13","01:42:20",""
"7247506","10.8311","0.0002","11.3008","0.0002","24.9795","0.0004","90","","91.011","0.002","90","","3057.02","0.09","170.15","","170.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Cl2 Fe N2 P -","- C32 H35 Cl2 Fe N2 P -","- C128 H140 Cl8 Fe4 N8 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","","1.54184","CuKα","","0.0809","0.0697","","","0.2064","0.2143","","","","","","1.064","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247507","11.2884","0.0003","19.7047","0.0003","11.5379","0.0003","90","","115.527","0.003","90","","2315.9","0.11","170","0.11","170","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl3 Fe N2 P -","- C23 H24 Cl3 Fe N2 P -","- C92 H96 Cl12 Fe4 N8 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.0412","0.0362","","","0.0881","0.0904","","","","","","1.048","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247508","12.0592","0.0003","15.9546","0.0004","13.9879","0.0003","90","","94.627","0.002","90","","2682.5","0.11","169.98","0.1","169.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl5 Fe1.5 N2 O P -","- C23 H24 Cl5 Fe1.5 N2 O P -","- C92 H96 Cl20 Fe6 N8 O4 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.0636","0.0537","","","0.1424","0.1502","","","","","","1.043","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247509","12.0833","0.0001","15.7285","0.0001","12.5479","0.0001","90","","99.96","0.001","90","","2348.81","0.03","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Fe N2 P -","- C24 H27 Cl2 Fe N2 P -","- C96 H108 Cl8 Fe4 N8 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.0297","0.0289","","","0.0735","0.074","","","","","","1.026","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247510","5.78002","0.00017","18.6163","0.0006","15.854","0.0005","90","","95.564","0.003","90","","1697.89","0.09","300.88","0.1","300.88","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei","A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source","Green Chemistry","2023","25","21","8539","8543","10.1039/D3GC02955G","","x-ray","1.54184","CuKα","","0.0544","0.044","","","0.1198","0.1268","","","","","","1.082","","","","has coordinates","287358","2023-11-06","07:44:36",""
"7247511","10.4508","0.0002","12.4654","0.0002","14.1577","0.0003","90","","99.135","0.002","90","","1820.98","0.06","300.88","0.1","300.88","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl N O2 -","- C21 H18 Cl N O2 -","- C84 H72 Cl4 N4 O8 -","4","1","","Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei","A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source","Green Chemistry","2023","25","21","8539","8543","10.1039/D3GC02955G","","x-ray","1.54184","CuKα","","0.0414","0.0381","","","0.0988","0.1009","","","","","","1.06","","","","has coordinates","287358","2023-11-06","07:44:37",""
"7247512","5.6167","0.0001","15.9231","0.0004","19.6051","0.0004","90","","90","","90","","1753.39","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting","Synthesis of sulfonyl 2-aryl-5-methylenyltetrahydropyrans","RSC Advances","2023","13","43","29894","29903","10.1039/D3RA06370D","","x-ray","0.71073","MoKα","","0.0354","0.032","","","0.0711","0.0727","","","","","","1.024","","","","has coordinates","286974","2023-10-14","01:22:11",""
"7247513","12.4097","0.0003","9.8815","0.0002","14.6434","0.0003","90","","98.892","0.002","90","","1774.09","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting","Synthesis of sulfonyl 2-aryl-5-methylenyltetrahydropyrans","RSC Advances","2023","13","43","29894","29903","10.1039/D3RA06370D","","x-ray","0.71073","MoKα","","0.0395","0.0334","","","0.086","0.089","","","","","","1.076","","","","has coordinates","286974","2023-10-14","01:22:12",""
"7247514","7.687","0.0015","16.132","0.003","14.951","0.003","90","","100.35","0.03","90","","1823.9","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)-2-(10-oxoanthracen-9(10H)-ylidene)acetonitrile","","- C26 H15 N O -","- C26 H15 N O -","- C104 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0836","0.0687","","","0.217","0.2286","","","","","","1.132","","","","has coordinates","288804","2024-01-06","08:03:43",""
"7247515","16.899","0.003","5.502","0.0011","41.337","0.008","90","","90","","90","","3843.4","1.3","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C54 H33 Cl N2 -","- C54 H33.011 Cl0.989 N2 -","- C216 H132.044 Cl3.956 N8 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0521","0.0419","","","0.1112","0.1166","","","","","","1.023","","","","has coordinates,has disorder","288804","2024-01-06","08:03:44",""
"7247516","20.818","0.004","5.388","0.0011","17.241","0.003","90","","107.1","0.03","90","","1848.4","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C27 H17 N -","- C27 H17 N -","- C108 H68 N4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.63","synchrotron","","0.0577","0.0475","","","0.1404","0.1473","","","","","","1.102","","","","has coordinates","288804","2024-01-06","08:03:44",""
"7247517","7.1203","0.0004","12.9924","0.0007","16.795","0.001","90.201","0.002","98.985","0.001","98.48","0.002","1517.3","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N5 O4 -","- C33 H35 N5 O4 -","- C66 H70 N10 O8 -","2","1","","Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong","A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention","CrystEngComm","2023","25","46","6405","6415","10.1039/D3CE00535F","","","0.71073","MoKα","","0.1021","0.0555","","","0.125","0.1611","","","","","","1","","","","has coordinates","288788","2024-01-06","07:56:53",""
"7247518","8.7898","0.0016","5.2594","0.0009","27.871","0.005","90","","95.483","0.005","90","","1282.6","0.4","296.19","","296.19","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Polo-Cuadrado, Efraín; López-Cuellar, Lorena; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Brito, Iván; Cisterna, Jonathan; Trilleras, Jorge; Alderete, Joel B.; Duarte, Yorley; Gutiérrez, Margarita","Comprehensive analysis of crystal structure, spectroscopic properties, quantum chemical insights, and molecular docking studies of two pyrazolopyridine compounds: potential anticancer agents","RSC Advances","2023","13","43","30118","30128","10.1039/D3RA04874H","","","0.71073","MoKα","","0.0767","0.0523","","","0.1289","0.1425","","","","","","1.032","","","","has coordinates","287000","2023-10-17","01:28:16",""
"7247519","8.01","0.0009","9.8032","0.0011","13.6657","0.0015","71.974","0.002","74.329","0.003","89.987","0.003","978.4","0.19","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C48 H44 N8 O2 -","2","1","","Polo-Cuadrado, Efraín; López-Cuellar, Lorena; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Brito, Iván; Cisterna, Jonathan; Trilleras, Jorge; Alderete, Joel B.; Duarte, Yorley; Gutiérrez, Margarita","Comprehensive analysis of crystal structure, spectroscopic properties, quantum chemical insights, and molecular docking studies of two pyrazolopyridine compounds: potential anticancer agents","RSC Advances","2023","13","43","30118","30128","10.1039/D3RA04874H","","","0.71073","MoKα","","0.1031","0.0595","","","0.1349","0.1733","","","","","","1.06","","","","has coordinates","287000","2023-10-17","01:28:20",""
"7247520","9.231","0.0002","11.1587","0.0002","11.8072","0.0002","109.53","0.002","108.436","0.002","100.043","0.002","1032.67","0.04","152","5","152","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F N2 O11 -","- C23 H19 F N2 O11 -","- C46 H38 F2 N4 O22 -","2","1","","Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei","A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability","CrystEngComm","2023","25","44","6171","6179","10.1039/D3CE00794D","","x-ray","1.54184","CuKα","","0.0487","0.046","","","0.1259","0.1277","","","","","","1.033","","","","has coordinates","288772","2024-01-06","07:53:34",""
"7247522","19.102","0.0003","19.102","0.0003","90.1075","0.0013","90","","90","","120","","28474.1","0.8","100","0.1","100","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 Ag9 Br24 Cl3 P8 Pt -","- C144 H96 Ag9 Br24 Cl3 P8 Pt -","- C864 H576 Ag54 Br144 Cl18 P48 Pt6 -","6","0.333333","","Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui","One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation.","Physical chemistry chemical physics : PCCP","2023","25","44","30373","30380","10.1039/d3cp02736h","","x-ray","1.54184","CuKα","","0.0596","0.0398","","","0.0945","0.1008","","","","","","1.076","","","","has coordinates","288903","2024-01-06","09:52:20",""
"7247523","16.7168","0.0007","8.3892","0.0003","19.5667","0.0008","90","","100.287","0.004","90","","2699.94","0.19","223","","223","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 F6 Li O8 P S4 -","- C16 H32 F6 Li O8 P S4 -","- C64 H128 F24 Li4 O32 P4 S16 -","4","1","","Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application.","Physical chemistry chemical physics : PCCP","2023","25","43","29566","29575","10.1039/d3cp04561g","","x-ray","0.71073","MoKα","","0.0596","0.0407","","","0.1069","0.1187","","","","","","1.022","","","","has coordinates,has disorder","288904","2024-01-06","09:52:46",""
"7247524","8.5408","0.0008","23.905","0.002","10.7593","0.0008","90","","91.014","0.007","90","","2196.4","0.3","223","","223","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C5 H8 F3 Li O5 S2 -","- C5 H8 F3 Li O4.9993 S2 -","- C40 H64 F24 Li8 O39.9944 S16 -","8","1","","Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application.","Physical chemistry chemical physics : PCCP","2023","25","43","29566","29575","10.1039/d3cp04561g","","x-ray","0.71073","MoKα","","0.067","0.0568","","","0.1538","0.1631","","","","","","1.015","","","","has coordinates,has disorder","288904","2024-01-06","09:52:58",""
"7247525","20.7777","0.0002","10.5881","0.0001","8.2502","0.0001","90","","94.605","0.001","90","","1809.15","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.044","0.0373","","","0.0936","0.0978","","","","","","1.028","","","","has coordinates","287035","2023-10-19","01:37:55",""
"7247526","5.6618","0.0001","14.6008","0.0002","19.1251","0.0003","90","","90.651","0.001","90","","1580.91","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.0384","0.0342","","","0.0863","0.0892","","","","","","1.052","","","","has coordinates","287035","2023-10-19","01:37:56",""
"7247527","5.768","0.00005","9.9821","0.0001","15.6039","0.0001","90","","100.441","0.001","90","","883.546","0.013","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.026","0.0256","","","0.0674","0.0677","","","","","","1.038","","","","has coordinates","287035","2023-10-19","01:37:57",""
"7247528","18.288","0.0005","7.913","0.0002","22.3941","0.0005","90","","90","","90","","3240.72","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.052","0.0382","","","0.0921","0.0989","","","","","","1.033","","","","has coordinates","287035","2023-10-19","01:37:57",""
"7247529","13.8459","0.0001","10.3707","0.0001","26.6399","0.0003","90","","90","","90","","3825.27","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H20 O6 S -","- C20 H20 O6 S -","- C160 H160 O48 S8 -","8","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0432","0.0382","","","0.1069","0.1114","","","","","","1.073","","","","has coordinates","288819","2024-01-06","08:23:34",""
"7247530","9.6633","0.0005","10.4825","0.0005","11.2824","0.0007","84.233","0.004","68.85","0.005","83.784","0.004","1057.28","0.11","100","0.13","100","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C50 H48 O8 S2 -","2","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0807","0.0784","","","0.2295","0.2302","","","","","","1.104","","","","has coordinates","288819","2024-01-06","08:23:42",""
"7247531","12.5068","0.0001","10.9444","0.0001","15.0198","0.0001","90","","99.867","0.001","90","","2025.49","0.03","100","5","100","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H0.25 O4 S -","- C24 H22 O4 S -","- C96 H88 O16 S4 -","4","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0344","0.0331","","","0.0907","0.0919","","","","","","1.054","","","","has coordinates","288819","2024-01-06","08:23:45",""
"7247532","5.7239","0.0002","16.0544","0.0004","20.5787","0.0007","94.727","0.002","94.995","0.003","90.152","0.002","1877.37","0.1","100","5","100","5","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 O12 S2 -","- C40 H44 O12 S2 -","- C80 H88 O24 S4 -","2","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","0.71073","MoKα","","0.1966","0.1794","","","0.4517","0.4613","","","","","","1.103","","","","has coordinates","288819","2024-01-06","08:23:48",""
"7247533","19.6119","0.0002","16.7818","0.0002","10.1615","0.0001","90","","92.942","0.001","90","","3339.98","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O8 S2 -","- C36 H36 O8 S2 -","- C144 H144 O32 S8 -","4","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0709","0.0589","","","0.1577","0.1691","","","","","","1.132","","","","has coordinates","288819","2024-01-06","08:23:56",""
"7247534","8.4502","0.0004","21.4984","0.0012","8.7348","0.0006","90","","105.103","0.003","90","","1532","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","1","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0822","0.0383","","","0.057","0.0659","","","","","","0.77","","","","has coordinates","288777","2024-01-06","07:54:34",""
"7247535","9.7329","0.0016","12.393","0.002","14.382","0.002","78.384","0.009","72.269","0.009","72.195","0.009","1562","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","2","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0792","0.0413","","","0.0775","0.0901","","","","","","0.893","","","","has coordinates","288777","2024-01-06","07:54:35",""
"7247536","9.0392","0.0004","9.0518","0.0003","13.7313","0.0006","76.202","0.001","74.883","0.001","67.225","0.001","988.05","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","N,N'-bis(5-phenyl-5H-dibenzo[a,d][7]annulen-5-yl)ethane-1,2-diamine pyridine clathrate","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0838","0.0476","","","0.1062","0.13","","","","","","1.082","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247537","8.9716","0.0005","9.2886","0.0005","13.8221","0.0008","75.212","0.003","76.005","0.003","66.684","0.003","1009.8","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C54 H50 N4 -","- C54 H50 N4 -","- C54 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.058","0.0406","","","0.0875","0.0974","","","","","","1.047","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247538","8.7173","0.0006","11.2718","0.0008","12.6826","0.0009","108.163","0.003","105.764","0.002","104.337","0.002","1061.65","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0474","0.0392","","","0.102","0.1095","","","","","","1.029","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247539","9.0013","0.0003","26.7346","0.0009","9.0416","0.0003","90","","114.066","0.002","90","","1986.7","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C106 H101 N7 -","- C106 H101 N7 -","- C106 H101 N7 -","1","0.25","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0658","0.0499","","","0.1238","0.1362","","","","","","1.019","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247540","8.9471","0.001","9.974","0.0011","13.4375","0.0014","73.488","0.004","75.543","0.004","74.301","0.004","1087.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0715","0.0604","","","0.1718","0.1859","","","","","","1.049","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247541","13.3215","0.0013","6.9213","0.0005","13.3412","0.0015","90","","105.928","0.01","90","","1182.9","0.2","100","2","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 7-fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborole-4-carboxylate","","- C10 H12 B F O4 Si -","- C10 H12 B F O4 Si -","- C40 H48 B4 F4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0664","0.0528","","","0.1395","0.153","","","","","","1.024","","","","has coordinates","288806","2024-01-06","08:04:30",""
"7247542","8.3772","0.0003","11.1912","0.0003","12.2672","0.0004","90","","102.988","0.003","90","","1120.64","0.06","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C36 H40 B4 F12 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0928","0.0942","","","","","","1.041","","","","has coordinates","288806","2024-01-06","08:04:41",""
"7247543","9.9043","0.0004","9.509","0.0003","12.4382","0.0005","90","","108.389","0.005","90","","1111.61","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-cyano-7-fluoro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H9 B F N O2 Si -","- C9 H9 B F N O2 Si -","- C36 H36 B4 F4 N4 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0445","0.0362","","","0.0878","0.0935","","","","","","1.073","","","","has coordinates","288806","2024-01-06","08:04:45",""
"7247544","7.5415","0.0002","6.9154","0.0002","10.0942","0.0002","90","","95.474","0.002","90","","524.04","0.02","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,1-dimethyl-7-fluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H10 B F O3 Si -","- C9 H10 B F O3 Si -","- C18 H20 B2 F2 O6 Si2 -","2","0.5","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0374","0.0333","","","0.0925","0.0961","","","","","","1.078","","","","has coordinates","288806","2024-01-06","08:04:58",""
"7247545","14.5174","0.0004","10.1711","0.0001","14.6098","0.0008","90","","95.774","0.006","90","","2146.31","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C64 H80 B8 Cl8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0805","0.0813","","","","","","1.059","","","","has coordinates","288806","2024-01-06","08:05:03",""
"7247546","13.6654","0.0006","18.404","0.0007","8.4758","0.0003","90","","96.021","0.004","90","","2119.89","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-6-cyano-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B N O2 Si -","- C9 H10 B N O2 Si -","- C72 H80 B8 N8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0423","0.035","","","0.0921","0.0985","","","","","","1.027","","","","has coordinates","288806","2024-01-06","08:05:14",""
"7247547","8.9458","0.0003","10.0166","0.0004","25.8341","0.0009","90","","90","","90","","2314.9","0.15","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1-dimethyl-6-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0788","0.0521","","","0.1043","0.1165","","","","","","0.998","","","","has coordinates","288806","2024-01-06","08:05:17",""
"7247548","14.0599","0.0009","10.9765","0.0002","14.9951","0.0016","90","","94.876","0.011","90","","2305.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C72 H80 B8 F24 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0782","0.0499","","","0.1219","0.1386","","","","","","1.035","","","","has coordinates","288806","2024-01-06","08:05:18",""
"7247549","7.0678","0.0002","16.2162","0.0003","12.8481","0.0003","90","","97.58","0.002","90","","1459.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-7-(dihydroxyborono)-2,1,3-benzoxasilaborol-3(1H)-ol","","- C11 H18 B2 O5 Si -","- C11 H18 B2 O5 Si -","- C44 H72 B8 O20 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0676","0.0438","","","0.1094","0.124","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:20",""
"7247550","15.6371","0.0001","15.6371","0.0001","17.646","0.0002","90","","90","","90","","4314.78","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","6-bromo-1,1-dimethyl-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B Br O2 Si -","- C8 H10 B Br O2 Si -","- C128 H160 B16 Br16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0371","0.0239","","","0.0533","0.0583","","","","","","1.046","","","","has coordinates","288806","2024-01-06","08:05:23",""
"7247551","15.507","0.0001","15.507","0.0001","17.3326","0.0002","90","","90","","90","","4167.92","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-chloro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C128 H160 B16 Cl16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.54178","CuKα","","0.0307","0.0304","","","0.0865","0.0868","","","","","","1.095","","","","has coordinates","288806","2024-01-06","08:05:24",""
"7247552","15.5827","0.0001","15.5827","0.0001","17.2392","0.0003","90","","90","","90","","4186.03","0.08","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 B O3 Si -","- C9 H11 B O3 Si -","- C144 H176 B16 O48 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0787","0.0527","","","0.1256","0.1427","","","","","","1.023","","","","has coordinates,has disorder","288806","2024-01-06","08:05:24",""
"7247553","12.917","0.0004","9.3267","0.0002","18.3757","0.0008","90","","91.43","0.005","90","","2213.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-dichloro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B Cl2 O2 Si -","- C8 H9 B Cl2 O2 Si -","- C64 H72 B8 Cl16 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0546","0.0379","","","0.0855","0.0941","","","","","","1.057","","","","has coordinates","288806","2024-01-06","08:05:27",""
"7247554","7.0164","0.0003","12.3417","0.0006","18.5513","0.001","93.405","0.004","93.926","0.004","105.818","0.004","1536.87","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C48 H54 B6 F12 O12 Si6 -","6","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1219","0.1298","","","","","","1.063","","","","has coordinates","288806","2024-01-06","08:05:29",""
"7247555","8.5329","0.0004","17.0749","0.0004","13.9049","0.0009","90","","101.787","0.007","90","","1983.2","0.17","100","2","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-5-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0533","0.0424","","","0.0975","0.1044","","","","","","1.028","","","","has coordinates","288806","2024-01-06","08:05:32",""
"7247556","6.9101","0.0004","8.4399","0.0004","10.1501","0.0004","86.142","0.004","72.322","0.004","70.59","0.005","531.58","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-6,7-difluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H9 B F2 O3 Si -","- C9 H9 B F2 O3 Si -","- C18 H18 B2 F4 O6 Si2 -","2","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0327","0.0293","","","0.0845","0.0878","","","","","","1.033","","","","has coordinates","288806","2024-01-06","08:05:33",""
"7247557","14.4016","0.0009","8.5877","0.0003","25.338","0.002","90","","95.665","0.009","90","","3118.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C96 H108 B12 F24 O24 Si12 -","12","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.5418","CuKα","","0.0448","0.0376","","","0.0989","0.1047","","","","","","1.056","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247558","6.6288","0.0002","11.6079","0.0004","29.9883","0.0012","90","","90","","90","","2307.49","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1-dimethyl-7-iodo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B I O2 Si -","- C8 H10 B I O2 Si -","- C64 H80 B8 I8 O16 Si8 -","8","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0804","0.0593","","","0.1166","0.1264","","","","","","1.154","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247559","8.616","0.0002","9.8164","0.0003","17.2931","0.0004","103.181","0.002","93.671","0.002","100.986","0.002","1389.12","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1-dimethyl-7-(trimethylsilyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C11 H19 B O2 Si2 -","- C11 H19 B O2 Si2 -","- C44 H76 B4 O8 Si8 -","4","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.045","0.0378","","","0.0997","0.1059","","","","","","1.031","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247560","15.8197","0.0002","15.8197","0.0002","18.3035","0.0005","90","","90","","90","","4580.69","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C144 H160 B16 F48 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.09","0.0953","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247561","8.3266","0.0001","6.6782","0.0001","18.9086","0.0002","90","","96.84","0.001","90","","1043.96","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C32 H36 B4 F8 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0962","0.0969","","","","","","1.136","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247562","15.3391","0.0001","15.3391","0.0001","16.9322","0.0003","90","","90","","90","","3983.94","0.08","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C128 H160 B16 F16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0672","0.0374","","","0.0866","0.0996","","","","","","1.026","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247563","11.1355","0.0012","10.6673","0.0003","12.051","0.003","90","","112.31","0.03","90","","1324.3","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,6,6-tetramethyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,2,5]oxasilaborol-3(1H)-ol","","- C11 H15 B O4 Si -","- C11 H15 B O4 Si -","- C44 H60 B4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0556","0.0417","","","0.1083","0.1181","","","","","","1.044","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247564","7.9293","0.0007","8.574","0.0007","11.9825","0.001","81.591","0.002","88.173","0.002","89.232","0.002","805.44","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Manganese-organic Compound","","","- C17 H16 Mn0.5 N4 O3 -","- C17 H16 Mn0.5 N4 O3 -","- C34 H32 Mn N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.087","0.071","","","0.11","0.1152","","","","","","1.225","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247565","7.9266","0.0008","8.5888","0.0008","11.8991","0.0011","82.016","0.003","87.908","0.003","89.364","0.003","801.69","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Iron-organic Compound","","","- C17 H16 Fe0.5 N4 O3 -","- C17 H16 Fe0.5 N4 O3 -","- C34 H32 Fe N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.0667","0.0504","","","0.101","0.1077","","","","","","1.09","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247566","22.3092","0.0014","7.1387","0.0005","7.1638","0.0005","90","","98.471","0.002","90","","1128.45","0.13","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Br2 La3 S5 -","- As Br2 La3 S5 -","- As4 Br8 La12 S20 -","4","1","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0444","0.0444","","","0.1058","0.1058","","","","","","0.832","","","","has coordinates","288811","2024-01-06","08:06:43",""
"7247567","7.0472","0.0003","7.1152","0.0003","37.1137","0.0013","90","","90","","90","","1860.96","0.13","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- As2 Cl3 La5 S9 -","- As2 Cl3 La5 S9 -","- As8 Cl12 La20 S36 -","4","0.5","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0414","0.0398","","","0.1123","0.1138","","","","","","1.046","","","","has coordinates","288811","2024-01-06","08:06:53",""
"7247568","19.794","0.0002","19.794","0.0002","9.0285","0.0001","90","","90","","120","","3063.47","0.06","155","7","155","7","","","","","","","","6","P 63","P 6c","173","","MHOF-PO4-2","","- C45 H63 Cu3 N6 O16 P -","- C45 H63 Cu3 N6 O16 P -","- C90 H126 Cu6 N12 O32 P2 -","2","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0203","0.0199","","","0.0536","0.0541","","","","","","1.084","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247569","37.4254","0.0002","37.4254","0.0002","37.4254","0.0002","90","","90","","90","","52420.3","0.5","100","0.3","100","0.3","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","MHOF-PO4-1","","- C45 H69 Cu3 N6 O19 P -","- C45 H69 Cu3 N6 O19 P -","- C1440 H2208 Cu96 N192 O608 P32 -","32","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0651","0.0538","","","0.1547","0.1632","","","","","","0.992","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247570","5.7122","0.0002","9.2022","0.0003","12.6766","0.0004","73.094","0.003","82.925","0.003","72.866","0.003","608.74","0.04","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 F O2 -","- C15 H13 F O2 -","- C30 H26 F2 O4 -","2","1","","Uchiyama, Hiromasa; Ban, Kazuho; Nozaki, Shiho; Ikeda, Yui; Ishimoto, Takayoshi; Fujioka, Hiroyoshi; Kamiya, Mako; Amari, Ryugo; Tsujino, Hirofumi; Arai, Masayoshi; Yamazoe, Sachi; Maekawa, Keiko; Kato, Takuma; Doi, Mitsunobu; Kadota, Kazunori; Tozuka, Yuichi; Tomita, Naohito; Sajiki, Hironao; Akai, Shuji; Sawama, Yoshinari","Impact of multiple H/D replacements on the physicochemical properties of flurbiprofen","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00357D","","","1.54184","CuKα","","0.0489","0.0481","","","0.1282","0.1288","","","","","","1.046","","","","has coordinates","287083","2023-10-24","00:13:16",""
"7247571","5.712","0.0002","9.161","0.0003","12.6671","0.0005","73.27","0.003","82.917","0.003","72.913","0.003","606.22","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H5 D8 F O2 -","- C15 H5 D8 F O2 -","- C30 H10 D16 F2 O4 -","2","1","","Uchiyama, Hiromasa; Ban, Kazuho; Nozaki, Shiho; Ikeda, Yui; Ishimoto, Takayoshi; Fujioka, Hiroyoshi; Kamiya, Mako; Amari, Ryugo; Tsujino, Hirofumi; Arai, Masayoshi; Yamazoe, Sachi; Maekawa, Keiko; Kato, Takuma; Doi, Mitsunobu; Kadota, Kazunori; Tozuka, Yuichi; Tomita, Naohito; Sajiki, Hironao; Akai, Shuji; Sawama, Yoshinari","Impact of multiple H/D replacements on the physicochemical properties of flurbiprofen","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00357D","","","1.54184","CuKα","","0.0548","0.0544","","","0.1539","0.1542","","","","","","1.066","","","","has coordinates","287083","2023-10-24","00:13:17",""
"7247572","7.2546","0.0001","28.912","0.0004","9.1504","0.0001","90","","92.873","0.001","90","","1916.84","0.04","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","triphenylphospine sulfide pyrazine bis(1,3,5-trifluro-2,4,6-triiodobenzene)","","- C34 H19 F6 I6 N2 P S -","- C34 H19 F6 I6 N2 P S -","- C68 H38 F12 I12 N4 P2 S2 -","2","0.5","","Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies.","Physical chemistry chemical physics : PCCP","2023","25","42","28576","28580","10.1039/d3cp04358d","","x-ray","0.71073","MoKα","","0.0243","0.0207","","","0.0471","0.0486","","","","","","1.1528","","","","has coordinates","287422","2023-11-06","08:29:05",""
"7247573","13.3936","0.0003","27.474","0.0006","9.584","0.0002","90","","90","","90","","3526.68","0.13","170","","170","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H81 I N4 O10 Si2 -","- C76 H81 I N4 O10 Si2 -","- C152 H162 I2 N8 O20 Si4 -","2","0.5","","Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er","New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations","Green Chemistry","2023","25","24","10447","10457","10.1039/D3GC02429F","","","0.71073","MoKα","","0.0285","0.0245","","","0.056","0.0584","","","","","","1.046","","","","has coordinates,has disorder","288816","2024-01-06","08:21:41",""
"7247574","28.216","0.009","13.252","0.002","14.528","0.003","90","","90","","90","","5432","2","170","","170","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H61 I N4 O8 Si2 -","- C56 H60 I N4 O8 Si2 -","- C224 H240 I4 N16 O32 Si8 -","4","1","","Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er","New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations","Green Chemistry","2023","25","24","10447","10457","10.1039/D3GC02429F","","","0.71073","MoKα","","0.0724","0.0439","","","0.1027","0.1185","","","","","","1.035","","","","has coordinates,has disorder","288816","2024-01-06","08:21:49",""
"7247575","31.9126","0.0009","18.7706","0.0007","24.7876","0.0008","90","","94.958","0.002","90","","14792.7","0.8","150","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 N4 O8 -","- C68 H56 N4 O8 -","- C544 H448 N32 O64 -","8","1","","Xu, Rong-Yao; Liu, Xiu; Sun, Guang; Zhang, Zhi-Yuan; Dong, Ming; Zhao, Liya; Zhang, Si-Miao; Wang, Xi-Yang; Zhang, Hong-Xu; Yang, Shang-Jie; Wang, Xiuguang; Li, Bin; Li, Jian; Li, Chunju","Efficient macrocyclization facilitated by skeleton preorganization","RSC Advances","2023","13","43","30269","30272","10.1039/D3RA05671F","","","1.54178","CuKα","","0.1722","0.1283","","","0.3731","0.4018","","","","","","1.291","","","","has coordinates","287104","2023-10-25","01:31:54",""
"7247576","9.126","0.003","11.832","0.003","25.192","0.006","98.152","0.013","95.551","0.009","101.38","0.01","2617.9","1.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","2","","Xu, Rong-Yao; Liu, Xiu; Sun, Guang; Zhang, Zhi-Yuan; Dong, Ming; Zhao, Liya; Zhang, Si-Miao; Wang, Xi-Yang; Zhang, Hong-Xu; Yang, Shang-Jie; Wang, Xiuguang; Li, Bin; Li, Jian; Li, Chunju","Efficient macrocyclization facilitated by skeleton preorganization","RSC Advances","2023","13","43","30269","30272","10.1039/D3RA05671F","","","0.71073","MoKα","","0.2065","0.0787","","","0.1437","0.2027","","","","","","1.027","","","","has coordinates","287104","2023-10-25","01:32:06",""
"7247577","10.807","0.0006","11.9118","0.0007","12.0215","0.0007","118.315","0.001","98.197","0.002","98.075","0.002","1309.44","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N5 O4 Zn -","- C31 H19 N5 O4 Zn -","- C62 H38 N10 O8 Zn2 -","2","1","","Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun","2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4−","CrystEngComm","2023","25","46","6424","6433","10.1039/D3CE00961K","","","0.71073","MoKα","","0.1473","0.0735","","","0.1679","0.2099","","","","","","1.027","","","","has coordinates,has disorder","288783","2024-01-06","07:56:14",""
"7247578","7.5418","0.0003","11.3152","0.0004","12.9845","0.0005","90","","96.939","0.001","90","","1099.94","0.07","142","2","142","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O2 S2 -","- C9 H10 N2 O2 S2 -","- C36 H40 N8 O8 S8 -","4","1","","Pal, Satyajit; Sarkar, Subhankar; Mukherjee, Anindita; Kundu, Anupam; Sen, Animesh; Rath, Jnanendra; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath","Metal-free, tert-butyl nitrite promoted C(sp2)–S coupling reaction: the synthesis of aryl dithiocarbamates and analysis of antimicrobial activity by ‘in silico’ and ‘in vitro’ methods for drug modification","Green Chemistry","2023","25","23","9847","9856","10.1039/D3GC03153E","","","0.71073","MoKα","","0.0669","0.0475","","","0.1383","0.1668","","","","","","1.023","","","","has coordinates","288822","2024-01-06","08:24:46",""
"7247579","4.83768","0.00017","14.8178","0.0005","20.0275","0.0006","90","","95.964","0.003","90","","1427.88","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0649","0.0568","","","0.1666","0.1731","","","","","","1.092","","","","has coordinates","288773","2024-01-06","07:53:45",""
"7247580","4.7204","0.0001","21.155","0.0005","15.1364","0.0003","90","","92.616","0.002","90","","1509.95","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1075","0.1102","","","","","","1.067","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247581","4.4714","0.0001","9.3275","0.0002","17.7797","0.0005","90","","90.109","0.002","90","","741.54","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H15 N O7 S -","- C15 H15 N O7 S -","- C30 H30 N2 O14 S2 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0265","0.026","","","0.0708","0.0711","","","","","","1.073","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247582","4.7037","0.0001","20.9656","0.0003","14.8427","0.0002","90","","92.196","0.001","90","","1462.65","0.04","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.046","0.0392","","","0.0992","0.1029","","","","","","1.044","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247583","7.9912","0.0001","21.7863","0.0002","9.0403","0.0001","90","","100.091","0.001","90","","1549.56","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O7 P -","- C15 H16 N O7 P -","- C60 H64 N4 O28 P4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0293","0.0284","","","0.0736","0.0742","","","","","","1.066","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247584","3.89223","0.00004","10.76523","0.0001","15.40737","0.00014","109.037","0.0008","94.011","0.0008","90.8565","0.0008","608.291","0.011","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0934","0.0944","","","","","","1.086","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247585","3.82566","0.00003","15.0716","0.00006","21.1995","0.00009","90","","92.4431","0.0005","90","","1221.23","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0346","0.0339","","","0.0887","0.0893","","","","","","1.057","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247586","30.4965","0.0011","7.825","0.0002","23.6797","0.0008","90","","94.921","0.002","90","","5630","0.3","301","2","301","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H64 N16 Sb4 Se10 Zn4 -","- C24 H64 N16 Sb4 Se10 Zn4 -","- C96 H256 N64 Sb16 Se40 Zn16 -","4","0.5","","Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe","Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se).","Physical chemistry chemical physics : PCCP","2023","25","43","29709","29717","10.1039/d3cp04074g","","","0.71073","MoKα","","0.11","0.0418","","","0.0642","0.0874","","","","","","1.076","","","","has coordinates","288905","2024-01-06","09:53:19",""
"7247587","25.9513","0.0011","25.9513","0.0011","9.8863","0.0007","90","","90","","90","","6658.1","0.6","273.15","","273.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H48 N10 S6 Sb2 Zn2 -","- C16 H48 N10 S6 Sb2 Zn2 -","- C128 H384 N80 S48 Sb16 Zn16 -","8","0.5","","Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe","Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se).","Physical chemistry chemical physics : PCCP","2023","25","43","29709","29717","10.1039/d3cp04074g","","","0.71073","MoKα","","0.0577","0.0472","","","0.1145","0.1207","","","","","","1.09","","","","has coordinates","288905","2024-01-06","09:53:28",""
"7247588","7.2757","0.0004","10.0165","0.0006","10.0348","0.0006","75.028","0.002","86.496","0.002","88.354","0.002","705.1","0.07","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","","Lim, Ae Ran; Kim, Sun Ha","Processing on crystal growth, structure, thermal property, and nuclear magnetic resonance of organic–inorganic hybrid perovskite type [NH3(CH2)6NH3]ZnCl4 crystal","RSC Advances","2023","13","44","31027","31035","10.1039/D3RA05752F","","","0.71073","MoKα","","0.0369","0.0283","","","0.0687","0.074","","","","","","1.039","","","","has coordinates","287134","2023-10-27","01:20:57",""
"7247589","7.2844","0.0002","10.1024","0.0003","10.1051","0.0003","74.306","0.001","85.927","0.001","88.017","0.001","714.01","0.04","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","","Lim, Ae Ran; Kim, Sun Ha","Processing on crystal growth, structure, thermal property, and nuclear magnetic resonance of organic–inorganic hybrid perovskite type [NH3(CH2)6NH3]ZnCl4 crystal","RSC Advances","2023","13","44","31027","31035","10.1039/D3RA05752F","","","0.71073","MoKα","","0.048","0.0359","","","0.0964","0.1046","","","","","","1.042","","","","has coordinates","287134","2023-10-27","01:20:58",""
"7247590","7.2972","0.0003","10.1542","0.0004","10.1812","0.0003","73.842","0.001","87.939","0.001","85.638","0.001","722.41","0.05","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","","Lim, Ae Ran; Kim, Sun Ha","Processing on crystal growth, structure, thermal property, and nuclear magnetic resonance of organic–inorganic hybrid perovskite type [NH3(CH2)6NH3]ZnCl4 crystal","RSC Advances","2023","13","44","31027","31035","10.1039/D3RA05752F","","","0.71073","MoKα","","0.0656","0.0446","","","0.1405","0.1613","","","","","","1.021","","","","has coordinates","287134","2023-10-27","01:20:58",""
"7247591","6.9004","0.0007","10.5029","0.0011","15.8453","0.0017","95.066","0.004","92.516","0.004","100.761","0.003","1121.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C50 H56 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0414","0.0375","","","0.104","0.1075","","","","","","1.058","","","","has coordinates","288774","2024-01-06","07:53:56",""
"7247592","7.0715","0.001","10.4603","0.0014","15.71","0.002","95.12","0.004","94.102","0.005","99.743","0.004","1136.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C50 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0501","0.0462","","","0.1347","0.1389","","","","","","1.131","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247593","7.0766","0.0014","10.505","0.002","15.939","0.003","95.513","0.006","93.85","0.006","100.486","0.005","1155.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0389","0.0381","","","0.1028","0.104","","","","","","1.058","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247594","10.8801","0.0012","12.8327","0.0014","13.3727","0.0014","90","","93.49","0.004","90","","1863.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.035","0.035","","","0.0874","0.0874","","","","","","1.039","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247595","6.6173","0.0006","13.6049","0.0011","20.3294","0.0017","90","","90","","90","","1830.2","0.3","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","0.25","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0403","0.0389","","","0.1129","0.1149","","","","","","1.101","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247596","7.1643","0.0012","9.8755","0.0016","17.073","0.003","84.131","0.005","85.474","0.005","72.254","0.005","1143","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0362","0.0342","","","0.0905","0.092","","","","","","1.055","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247597","9.7285","0.0009","9.8676","0.0009","16.7911","0.0015","90","","97.648","0.003","90","","1597.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Co N12 O14 -","- C18 H36 Cl2 Co N12 O14 -","- C36 H72 Cl4 Co2 N24 O28 -","2","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0891","0.0601","","","0.1629","0.1798","","","","","","1.061","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247598","7.4339","0.0007","8.4275","0.0008","9.0714","0.0008","87.583","0.003","78.69","0.002","77.157","0.002","543.34","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","1","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0838","0.078","","","0.211","0.2183","","","","","","1.092","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247599","11.3155","0.0001","17.9907","0.0002","20.6727","0.0002","90","","98.456","0.001","90","","4162.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 F6 Fe -","- C46 H40 F6 Fe -","- C184 H160 F24 Fe4 -","4","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0968","0.0983","","","","","","1.051","","","","has coordinates,has disorder","288786","2024-01-06","07:56:39",""
"7247600","18.4087","0.0001","8.0394","0.0007","23.69","0.002","90","","91.284","0.004","90","","3505.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O6 -","- C18 H19 N3 O6 -","- C144 H152 N24 O48 -","8","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","0.71073","MoKα","","0.0798","0.0569","","","0.0896","0.0918","","","","","","0.646","","","","has coordinates","288786","2024-01-06","07:56:40",""
"7247601","6.447","0.0015","10.416","0.003","11.367","0.003","82.665","0.01","87.026","0.01","72.301","0.009","721.2","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","1","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1117","0.0645","","","0.1514","0.177","","","","","","1.028","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247602","10.1433","0.0012","11.0854","0.0013","15.0978","0.0018","87.297","0.005","78.914","0.005","89.006","0.005","1664","0.3","301","","301","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C68 H104 N4 O4 -","2","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1377","0.0888","","","0.2633","0.3116","","","","","","1.033","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247603","18.8769","0.0008","6.1559","0.0002","26.9215","0.0011","90","","106.511","0.003","90","","2999.4","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N2 O2 -","- C32 H48 N2 O2 -","- C128 H192 N8 O8 -","4","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.0583","0.0512","","","0.1326","0.1405","","","","","","1.04","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247604","10.9128","0.0012","10.0522","0.0009","29.338","0.003","90","","90.55","0.004","90","","3218.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 O2 -","- C33 H50 N2 O2 -","- C132 H200 N8 O8 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1355","0.0868","","","0.2487","0.3022","","","","","","1.031","","","","has coordinates,has disorder","288784","2024-01-06","07:56:24",""
"7247605","21.1054","0.001","11.235","0.0003","24.6803","0.0012","90","","106.321","0.005","90","","5616.3","0.4","240","0.1","240","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H28 Br O4 P -","- C32 H28 Br O4 P -","- C256 H224 Br8 O32 P8 -","8","2","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","x-ray","1.54184","CuKα","","0.1087","0.0807","","","0.2286","0.2568","","","","","","1.043","","","","has coordinates,has disorder","288817","2024-01-06","08:22:01",""
"7247606","9.7322","0.0016","10.0029","0.0016","12.561","0.002","89.918","0.004","88.573","0.004","81.09","0.004","1207.7","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl N O2 P -","- C30 H23 Cl N O2 P -","- C60 H46 Cl2 N2 O4 P2 -","2","1","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","","0.71073","MoKα","","0.132","0.0581","","","0.0897","0.1155","","","","","","1.04","","","","has coordinates","288817","2024-01-06","08:22:03",""
"7247607","14.9304","0.0002","9.0992","0.0001","21.2031","0.0003","90","","106.572","0.002","90","","2760.89","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl O5 P -","- C33 H26 Cl O5 P -","- C132 H104 Cl4 O20 P4 -","4","1","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","x-ray","1.54184","CuKα","","0.0399","0.0367","","","0.0987","0.1008","","","","","","1.053","","","","has coordinates","288817","2024-01-06","08:22:07",""
"7247608","14.38","0.0005","15.4793","0.0007","17.346","0.0006","101.507","0.003","108.532","0.003","108.298","0.004","3278.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Br2 O2 P2 -","- C54 H40 Br2 O2 P2 -","- C162 H120 Br6 O6 P6 -","3","1.5","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","x-ray","1.54184","CuKα","","0.0753","0.0534","","","0.1433","0.1573","","","","","","1.038","","","","has coordinates,has disorder","288817","2024-01-06","08:22:14",""
"7247609","11.0738","0.0005","13.2326","0.0006","13.7902","0.0005","83.693","0.003","70.637","0.003","82.745","0.004","1886.19","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Cl5 Ir N2 P -","- C42 H35 Cl5 Ir N2 P -","- C84 H70 Cl10 Ir2 N4 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","x-ray","0.71073","MoKα","","0.0257","0.0217","","","0.0474","0.0479","","","","","","0.986","","","","has coordinates","287190","2023-11-01","02:30:52",""
"7247610","19.1611","0.0008","20.4125","0.0009","23.7193","0.001","90","","90","","90","","9277.2","0.7","297","2","297","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C47.6 H38.8 Cl F4 Ir N2 O7.3 P -","- C47.6 H38.8 Cl F4 Ir N2 O7.3 P -","- C380.8 H310.4 Cl8 F32 Ir8 N16 O58.4 P8 -","8","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","x-ray","0.71073","MoKα","","0.0535","0.0324","","","0.1027","0.1171","","","","","","1.047","","","","has coordinates,has disorder","287190","2023-11-01","02:30:53",""
"7247611","12.34","0.02","12.49","0.02","16.46","0.04","86.17","0.05","69","0.05","88.19","0.05","2363","8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H41 Cl5 Ir N2 O5 P -","- C49 H41 Cl5 Ir N2 O5 P -","- C98 H82 Cl10 Ir2 N4 O10 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.0804","0.0526","","","0.1074","0.1246","","","","","","1.06","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247612","11.25","0.013","13.317","0.016","14.035","0.017","84.55","0.03","74.18","0.03","83.1","0.03","2004","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl5 F3 Ir N2 P -","- C42 H32 Cl5 F3 Ir N2 P -","- C84 H64 Cl10 F6 Ir2 N4 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.1289","0.0609","","","0.0736","0.0882","","","","","","0.973","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247613","12.911","0.006","13.195","0.006","14.842","0.007","82.321","0.012","72.051","0.01","63.435","0.01","2151.5","1.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H45 Cl Ir N2 O3 P -","- C50 H45 Cl Ir N2 O3 P -","- C100 H90 Cl2 Ir2 N4 O6 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.0881","0.0451","","","0.0547","0.0629","","","","","","0.94","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247614","13.2859","0.0008","13.4065","0.0008","15.6834","0.001","103.238","0.0015","90.1227","0.0016","117.815","0.0014","2385.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.25 H37.5 Cl3.5 Ir N2 O6 P -","- C47.25 H35.5 Cl3.5 Ir N2 O6 P -","- C94.5 H71 Cl7 Ir2 N4 O12 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.1096","0.0602","","","0.1364","0.1565","","","","","","1.005","","","","has coordinates,has disorder","287190","2023-11-01","02:30:53",""
"7247615","12.499","0.003","14.154","0.003","16.193","0.003","85.48","0.006","87.279","0.006","65.482","0.006","2598","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H35 Cl3 Ir N2 O5 P -","- C47 H35 Cl3 Ir N2 O5 P -","- C94 H70 Cl6 Ir2 N4 O10 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.0616","0.0419","","","0.0914","0.0998","","","","","","1.031","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247616","22.3235","0.0011","11.7383","0.0005","7.558","0.0004","90","","92.989","0.002","90","","1977.8","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0541","0.0433","","","0.1181","0.1273","","","","","","1.064","","","","has coordinates","288084","2023-12-06","15:07:29",""
"7247617","7.799","0.002","18.295","0.004","8.984","0.002","90","","93.931","0.014","90","","1278.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag N3 O4 -","- C12 H12 Ag N3 O4 -","- C48 H48 Ag4 N12 O16 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0647","0.066","","","","","","1.098","","","","has coordinates","288084","2023-12-06","15:08:46",""
"7247618","7.7806","0.0015","18.88","0.005","9.48","0.003","90","","96.15","0.014","90","","1384.6","0.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag B F4 N2 O -","- C12 H12 Ag B F4 N2 O -","- C48 H48 Ag4 B4 F16 N8 O4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0402","0.0333","","","0.0926","0.0958","","","","","","1.06","","","","has coordinates","288084","2023-12-06","15:09:16",""
"7247619","12.102","0.004","6.6333","0.0011","17.915","0.004","90","","90","","90","","1438.1","0.6","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 Ag F6 N2 Sb -","- C12 H10 Ag F5.9998 N2 Sb -","- C48 H40 Ag4 F23.9992 N8 Sb4 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0502","0.0509","","","","","","1.123","","","","has coordinates,has disorder","288084","2023-12-06","15:09:34",""
"7247620","36.304","0.01","5.3887","0.0009","15.575","0.004","90","","110.695","0.016","90","","2850.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F3 N2 O2 -","- C14 H10 Ag F3 N2 O2 -","- C112 H80 Ag8 F24 N16 O16 -","8","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0292","0.0262","","","0.0661","0.0686","","","","","","1.056","","","","has coordinates,has disorder","288084","2023-12-06","15:09:46",""
"7247621","6.6106","0.0009","17.709","0.002","12.3217","0.0017","90","","94.626","0.004","90","","1437.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F3 N2 O3 S -","- C13 H10 Ag F3 N2 O3 S -","- C52 H40 Ag4 F12 N8 O12 S4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0349","0.0303","","","0.0729","0.0742","","","","","","1.106","","","","has coordinates,has disorder","288084","2023-12-06","15:10:01",""
"7247622","19.0792","0.0008","7.8359","0.0004","19.193","0.0009","90","","94.076","0.001","90","","2862.1","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N8 O7 -","- C28 H30 N8 O7 -","- C112 H120 N32 O28 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0821","0.0501","","","0.1005","0.1131","","","","","","1.042","","","","has coordinates","288809","2024-01-06","08:06:07",""
"7247623","13.2616","0.0004","16.7698","0.0006","16.9393","0.0006","118.495","0.001","93.043","0.001","103.059","0.001","3167.76","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl6 N16 O9 Yb2 -","- C56 H50 Cl6 N16 O9 Yb2 -","- C112 H100 Cl12 N32 O18 Yb4 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0832","0.0446","","","0.0743","0.0852","","","","","","1.036","","","","has coordinates","288809","2024-01-06","08:06:10",""
"7247624","8.6982","0.0005","11.0452","0.0006","13.7542","0.0008","90","","106.867","0.002","90","","1264.57","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N4 O2 -","- C14 H10 Cu N4 O2 -","- C56 H40 Cu4 N16 O8 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0684","0.0403","","","0.0788","0.0892","","","","","","1.029","","","","has coordinates","288809","2024-01-06","08:06:20",""
"7247625","8.4097","0.0003","10.7232","0.0004","13.8568","0.0005","79.116","0.001","80.131","0.001","79.915","0.001","1195.72","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","1","0.5","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0454","0.0331","","","0.0603","0.0644","","","","","","1.078","","","","has coordinates,has disorder","288809","2024-01-06","08:06:23",""
"7247626","8.5699","0.0004","11.7452","0.0006","14.2218","0.0007","78.654","0.001","77.154","0.001","70.806","0.001","1306.15","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Eu N9 O12 -","- C21 H18 Eu N9 O12 -","- C42 H36 Eu2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0169","0.0159","","","0.0378","0.0381","","","","","","1.169","","","","has coordinates","288809","2024-01-06","08:06:23",""
"7247627","8.5744","0.0003","11.7399","0.0004","14.2153","0.0005","78.681","0.001","77.157","0.001","70.824","0.001","1305.88","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Gd N9 O12 -","- C21 H18 Gd N9 O12 -","- C42 H36 Gd2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0192","0.0174","","","0.0379","0.0384","","","","","","1.114","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247628","12.4309","0.0006","10.4129","0.0005","13.1342","0.0006","90","","104.761","0.002","90","","1644","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu2 N4 O4 -","- C16 H16 Cu2 N4 O4 -","- C64 H64 Cu8 N16 O16 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.1063","0.0632","","","0.0991","0.1104","","","","","","1.102","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247629","7.7383","0.0004","11.5787","0.0007","14.7269","0.0012","90","","90","","90","","1319.52","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br3 N Pb S -","- C8 H8 Br3 N Pb S -","- C32 H32 Br12 N4 Pb4 S4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0852","0.0491","","","0.1027","0.1111","","","","","","0.916","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247630","17.703","0.001","7.827","0.0003","20.1031","0.0011","90","","90","","90","","2785.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Br3 N Pb S -","- C9 H10 Br3 N Pb S -","- C72 H80 Br24 N8 Pb8 S8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1258","0.0667","","","0.1294","0.1604","","","","","","0.911","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247631","22.601","0.002","7.8074","0.0007","24.284","0.002","90","","90","","90","","4285","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br3 P Pb -","- C19 H18 Br3 P Pb -","- C152 H144 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1174","0.0708","","","0.1525","0.1775","","","","","","1.044","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247632","22.297","0.0012","7.948","0.0004","25.2706","0.0011","90","","90","","90","","4478.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 P Pb -","- C20 H20 Br3 P Pb -","- C160 H160 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1182","0.0499","","","0.0769","0.1022","","","","","","0.996","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247633","8.8791","0.0004","21.8322","0.0014","17.9977","0.001","90","","91.913","0.005","90","","3486.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br8 N2 Pb3 S2 -","- C20 H24 Br8 N2 Pb3 S2 -","- C80 H96 Br32 N8 Pb12 S8 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1354","0.0707","","","0.1343","0.1591","","","","","","0.88","","","","has coordinates,has disorder","288789","2024-01-06","07:57:05",""
"7247634","13.3422","0.0012","8.1688","0.0008","21.4738","0.0018","90","","95.977","0.008","90","","2327.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br3 P Pb -","- C21 H22 Br3 P Pb -","- C84 H88 Br12 P4 Pb4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0686","0.037","","","0.0581","0.0673","","","","","","0.977","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247635","15.6685","0.0007","3.7842","0.0001","10.8705","0.0005","90","","108.658","0.005","90","","610.67","0.05","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-di(pyridin-4-yl)thiazolo[5,4-d]thiazole","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0353","0.0345","","","0.0947","0.0952","","","","","","1.093","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247636","8.4275","0.0006","6.304","0.0004","11.748","0.0007","90","","93.544","0.006","90","","622.94","0.07","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0531","0.0418","","","0.1004","0.1072","","","","","","1.077","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247637","14.728","0.007","15.36","0.05","15.369","0.008","93.63","0.07","113.88","0.04","91.64","0.05","3167","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 N12 O8 S6 Zn2 -","- C70 H40 N12 O8 S6 Zn2 -","- C140 H80 N24 O16 S12 Zn4 -","2","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.098","0.0913","","","0.2451","0.2485","","","","","","1.166","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247638","17.1947","0.0002","18.5446","0.0002","15.7154","0.0002","90","","100.974","0.001","90","","4919.52","0.1","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N10 O10 S6 Zn2 -","- C46 H34 N10 O10 S6 Zn2 -","- C184 H136 N40 O40 S24 Zn8 -","4","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0819","0.073","","","0.1754","0.1796","","","","","","1.076","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247639","32.53","0.02","8.664","0.003","22.1","0.02","90","","96.56","0.02","90","","6188","7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N4 O5 S2 Zn -","- C28 H16 N4 O5 S2 Zn -","- C224 H128 N32 O40 S16 Zn8 -","8","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0367","0.0316","","","0.0838","0.0859","","","","","","1.058","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247640","4.6413","0.0003","16.1899","0.0014","8.557","0.004","90","","91.691","0.013","90","","642.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1064","0.0693","","","0.1807","0.2122","","","","","","1.06","","","","has coordinates","288810","2024-01-06","08:06:33",""
"7247641","4.654","0.0003","16.259","0.0018","8.577","0.004","90","","91.615","0.013","90","","648.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1012","0.0781","","","0.2013","0.2327","","","","","","1.082","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247642","4.863","0.0004","33.054","0.007","8.8694","0.0014","90","","91.519","0.009","90","","1425.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol-D","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C32 D48 F48 O16 -","16","4","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1288","0.0556","","","0.1608","0.2279","","","","","","1.027","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247643","7.712","0.0015","7.481","0.0015","11.062","0.002","90","","108.44","0.03","90","","605.4","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N3-protonated Cytidine nitrate","","- C9 H14 N4 O8 -","- C9 H14 N4 O8 -","- C18 H28 N8 O16 -","2","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.71073","MoKα","","0.0314","0.0311","","","0.0838","0.0843","","","","","","1.075","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247644","4.6969","0.0003","15.1122","0.0011","17.3305","0.0012","90","","90","","90","","1230.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cytidine and silver nitrate","","- C9 H13 Ag N4 O8 -","- C9 H13 Ag N4 O8 -","- C36 H52 Ag4 N16 O32 -","4","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.72929","synchrotron","","0.0372","0.0358","","","0.1124","0.1146","","","","","","1.162","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247645","10.0114","0.0003","16.1179","0.0005","11.3898","0.0004","90","","120.466","0.002","90","","1584.13","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co F6 N4 O6 -","- C24 H38 Co F6 N4 O6 -","- C48 H76 Co2 F12 N8 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0705","0.0384","","","0.0787","0.0856","","","","","","0.922","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247646","9.9328","0.0006","15.9853","0.0011","11.4746","0.0007","90","","120.609","0.003","90","","1568.06","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 N4 Ni O6 -","- C24 H38 F6 N4 Ni O6 -","- C48 H76 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0789","0.0428","","","0.0898","0.0975","","","","","","0.941","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247647","8.9504","0.0011","15.8017","0.0018","11.5358","0.0017","90","","118.8","0.004","90","","1429.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F6 N4 Ni O6 -","- C22 H34 F6 N4 Ni O6 -","- C44 H68 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","1.54178","CuKα","","0.033","0.032","","","0.0903","0.0915","","","","","","1.032","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247648","18.333","0.004","15.836","0.003","11.701","0.002","90","","120.036","0.008","90","","2940.9","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C92 H144 Co2 F24 N16 Ni2 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1951","0.0592","","","0.1539","0.1958","","","","","","0.837","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247649","18.514","0.004","15.792","0.003","11.787","0.002","90","","120.86","0.03","90","","2958.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co F6 N4 O6 -","- C23 H36 Co F6 N4 O6 -","- C92 H144 Co4 F24 N16 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1077","0.0427","","","0.1222","0.1678","","","","","","0.698","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247650","18.564","0.004","15.699","0.003","11.768","0.002","90","","120.67","0.03","90","","2949.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 Ni O6 -","- C23 H36 F6 N4 Ni O6 -","- C92 H144 F24 N16 Ni4 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1172","0.0441","","","0.1031","0.1341","","","","","","0.872","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247652","11.5675","0.0008","14.3355","0.001","15.8991","0.0011","95.8776","0.0014","100.612","0.0014","102.337","0.0014","2503.8","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57.41 B2 N5 O16.21 S4 -","- C45 H57.402 B2 N5 O16.201 S4 -","- C90 H114.804 B4 N10 O32.402 S8 -","2","1","","Zamora-Moreno, Julio; Salomón-Flores, María K.; Valdes-García, Josue; Pinzón-Vanegas, Cristian; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Villamil-Ramos, Raúl; Romero-Solano, Miguel Á.; Dorazco-González, Alejandro","Water-soluble fluorescent chemosensor for sorbitol based on a dicationic diboronic receptor. Crystal structure and spectroscopic studies","RSC Advances","2023","13","46","32185","32198","10.1039/D3RA06198A","","","0.71073","MoKα","","0.0467","0.0396","","","0.1044","0.1105","","","","","","1.029","","","","has coordinates,has disorder","287240","2023-11-02","02:27:27",""
"7247653","16.311","0.0004","19.5847","0.0004","11.1122","0.0003","90","","108.012","0.003","90","","3375.78","0.15","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N5 -","- C21 H12 N5 -","- C168 H96 N40 -","8","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0462","0.0401","","","0.1058","0.1115","","","","","","1.043","","","","has coordinates","287241","2023-11-02","02:28:58",""
"7247654","8.648","0.0003","11.3059","0.0004","21.0344","0.0007","74.729","0.003","82.132","0.003","70.001","0.003","1861.86","0.12","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H32 N10 -","- C46 H32 N10 -","- C92 H64 N20 -","2","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.1408","0.0791","","","0.1766","0.2319","","","","","","1.056","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247655","8.1502","0.0003","10.8528","0.0003","10.8895","0.0003","73.506","0.002","71.656","0.003","89.385","0.002","873.36","0.05","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0508","0.0426","","","0.1073","0.1153","","","","","","1.033","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247656","9.6158","0.0005","12.9796","0.0007","13.0395","0.0006","65.171","0.005","87.992","0.004","69.283","0.005","1369.11","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 N10 O2 -","- C62 H64 N10 O2 -","- C62 H64 N10 O2 -","1","0.5","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.1448","0.0743","","","0.1523","0.1999","","","","","","1.063","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247657","11.2406","0.0002","13.752","0.0003","14.5481","0.0003","68.229","0.002","75.915","0.002","85.545","0.002","2025.47","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H40 N10 -","- C50 H40 N10 -","- C100 H80 N20 -","2","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0838","0.0637","","","0.1632","0.1921","","","","","","1.056","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247658","10.855","0.0002","18.6894","0.0003","10.1304","0.0002","90","","107.219","0.002","90","","1963.08","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N10 -","- C48 H36 N10 -","- C96 H72 N20 -","2","0.5","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0498","0.046","","","0.128","0.1343","","","","","","1.088","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247659","8.2533","0.0001","16.1442","0.0003","17.4065","0.0004","90","","110.275","0.002","90","","2175.59","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N10 -","- C52 H44 N10 -","- C104 H88 N20 -","2","0.5","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0456","0.0423","","","0.1108","0.1142","","","","","","1.027","","","","has coordinates","287241","2023-11-02","02:29:00",""
"7247660","16.7363","0.0003","24.621","0.0005","8.8062","0.0002","90","","90","","90","","3628.72","0.13","125","","125","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H26 Mo2 O11 -","- C12 H26 Mo2 O11 -","- C96 H208 Mo16 O88 -","8","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0485","0.0309","","","0.0448","0.0487","","","","","","1.01","","","","has coordinates","287242","2023-11-02","02:30:44",""
"7247661","9.4347","0.0008","16.0288","0.0012","10.9136","0.0009","90","","101.838","0.003","90","","1615.3","0.2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Mo6 N2 O19 -","- C18 H40 Mo6 N2 O19 -","- C36 H80 Mo12 N4 O38 -","2","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0394","0.0332","","","0.0704","0.0731","","","","","","1.21","","","","has coordinates,has disorder","287242","2023-11-02","02:30:44",""
"7247662","8.5318","0.0004","11.0284","0.0005","14.5245","0.0007","81.706","0.002","77.862","0.002","69.992","0.002","1251.55","0.1","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H66 Mo8 O36 -","- C28 H66 Mo8 O36 -","- C28 H66 Mo8 O36 -","1","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0267","0.0219","","","0.0528","0.0554","","","","","","1.075","","","","has coordinates,has disorder","287242","2023-11-02","02:30:45",""
"7247663","9.4645","0.0001","9.4645","0.0001","17.316","0.0004","90","","90","","90","","1551.11","0.04","100","","100","","","","","","","","","4","P 41","P 4w","76","","","","- C4 H10 Mo O6 -","- C4 H10 Mo O6 -","- C32 H80 Mo8 O48 -","8","2","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0223","0.0208","","","0.0508","0.0518","","","","","","1.101","","","","has coordinates","287242","2023-11-02","02:30:45",""
"7247664","34.2851","0.0019","9.7131","0.0005","8.4881","0.0004","90","","90","","90","","2826.7","0.3","125","","125","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H36 Mo4 O20 -","- C16 H36 Mo4 O20 -","- C64 H144 Mo16 O80 -","4","1","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0682","0.0655","","","0.1327","0.1339","","","","","","1.084","","","","has coordinates,has disorder","287242","2023-11-02","02:30:45",""
"7247665","71.41","0.1","8.12","0.011","9.297","0.014","90","","91.38","0.04","90","","5389","13","160.15","","160.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) dodecanethiolate","","- C48 H100 S4 Sn -","- C48 H100 S4 Sn -","- C192 H400 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.2569","0.2477","","","0.5687","0.5722","","","","","","1.156","","","","has coordinates","287254","2023-11-04","13:21:02",""
"7247666","81.184","0.004","7.8878","0.0004","9.253","0.0005","90","","91.117","0.001","90","","5924.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) tetradecanethiolate","","- C56 H116 S4 Sn -","- C56 H116 S4 Sn -","- C224 H464 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.0639","0.062","","","0.1648","0.1673","","","","","","1.186","","","","has coordinates","287254","2023-11-04","13:21:13",""
"7247667","45.6447","0.0014","8.1335","0.0003","9.3171","0.0003","90","","92.133","0.003","90","","3456.6","0.2","100","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","Tin(IV) hexadecanethiolate","","- C64 H132 S4 Sn -","- C64 H132 S4 Sn -","- C128 H264 S8 Sn2 -","2","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","x-ray","0.71073","MoKα","","0.0846","0.0809","","","0.2176","0.2241","","","","","","1.112","","","","has coordinates","287254","2023-11-04","13:21:22",""
"7247668","19.689","0.005","3.6236","0.0009","11.631","0.003","90","","102.953","0.003","90","","808.7","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cl Cu2 N5 -","- C6 H4 Cl Cu2 N5 -","- C24 H16 Cl4 Cu8 N20 -","4","1","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.0305","0.024","","","0.0655","0.1018","","","","","","1.069","","","","has coordinates","287262","2023-11-04","23:58:13",""
"7247669","12.0666","0.0004","6.6817","0.0002","20.6749","0.0007","90","","107.439","0.002","90","","1590.3","0.09","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl Cu3 N10 O2 -","- C12 H10 Cl Cu3 N10 O2 -","- C48 H40 Cl4 Cu12 N40 O8 -","4","0.5","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.048","0.0428","","","0.1129","0.1286","","","","","","1.136","","","","has coordinates","287262","2023-11-04","23:58:28",""
"7247670","20.7416","0.0007","9.9967","0.0003","7.4017","0.0002","90","","107.298","0.003","90","","1465.31","0.08","373","2","373","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H8 I3 N4 S10 -","- C20 H8 I3 N4 S10 -","- C40 H16 I6 N8 S20 -","2","0.25","","Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero","High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2023","25","45","31410","31417","10.1039/d3cp04220k","","x-ray","0.71073","MoKα","","0.0519","0.0371","","","0.0958","0.1053","","","","","","1.044","","","","has coordinates","288910","2024-01-06","09:56:57",""
"7247671","20.7153","0.0006","9.9754","0.0003","7.3562","0.0002","90","","107.185","0.002","90","","1452.25","0.07","323","2","323","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H8 I3 N4 S10 -","- C20 H8 I3 N4 S10 -","- C40 H16 I6 N8 S20 -","2","0.25","","Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero","High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2023","25","45","31410","31417","10.1039/d3cp04220k","","x-ray","0.71073","MoKα","","0.0404","0.0326","","","0.0852","0.0905","","","","","","1.033","","","","has coordinates","288910","2024-01-06","09:57:12",""
"7247672","20.718","0.004","9.96","0.0008","7.3352","0.0008","90","","107.07","0.013","90","","1446.9","0.4","283","8","283","8","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H8 I3 N4 S10 -","- C20 H8 I3 N4 S10 -","- C40 H16 I6 N8 S20 -","2","0.25","","Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero","High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2023","25","45","31410","31417","10.1039/d3cp04220k","","","0.7107","MoKα","","0.0484","0.031","","","0.0693","0.0737","","","","","","1.024","","","","has coordinates","288910","2024-01-06","09:57:22",""
"7247673","9.2114","0.0004","13.4808","0.0006","14.52","0.0007","76.969","0.002","75.035","0.001","72.648","0.001","1640.93","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","NIS-NHAc","","- C18 H18 N2 O S2 -","- C18 H18 N2 O S2 -","- C72 H72 N8 O4 S8 -","4","2","","Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K.","The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics.","Physical chemistry chemical physics : PCCP","2023","25","46","31667","31682","10.1039/d3cp04891h","","","0.71073","MoKα","","0.0875","0.0551","","","0.1271","0.1465","","","","","","1.025","","","","has coordinates","288907","2024-01-06","09:55:29",""
"7247674","10.1465","0.0004","12.0918","0.0006","16.0775","0.0006","71.168","0.001","85.399","0.001","83.566","0.002","1853.15","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","Rho-NIS","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C88 H88 N8 O4 S4 -","2","1","","Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K.","The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics.","Physical chemistry chemical physics : PCCP","2023","25","46","31667","31682","10.1039/d3cp04891h","","","0.71073","MoKα","","0.132","0.0712","","","0.1543","0.1831","","","","","","1.014","","","","has coordinates","288907","2024-01-06","09:55:36",""
"7247675","6.2672","0.0006","14.7584","0.0012","17.2093","0.0013","90","","94.681","0.004","90","","1586.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BNHMP","4-bromo-2-((E)-((Z)-(1-(naphthalen-2-yl)ethylidene)hydrazono)methyl)phenol","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil","Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water.","Physical chemistry chemical physics : PCCP","2023","25","46","31702","31713","10.1039/d3cp03603k","","","0.71073","MoKα","","0.0342","0.0278","","","0.0727","0.0758","","","","","","1.069","","","","has coordinates","288908","2024-01-06","09:55:52",""
"7247676","6.4702","0.0003","9.9613","0.0004","25.6312","0.0011","90","","90","","90","","1651.97","0.12","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cxy1822","3ao","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Zhang, Xiao; Zhou, Qian; Zhou, Yue; Wang, Zihao; Wang, Jun; Wang, Mingfu","Asymmetric synthesis of chiral (thio)chromanes and exploration on their structure-activity relationship in macrophages.","RSC advances","2023","13","43","30391","30400","10.1039/d3ra06428j","","x-ray","1.54178","CuKα","","0.0261","0.0252","","","0.0639","0.0645","","","","","","1.034","","","","has coordinates","287286","2023-11-06","02:33:04",""
"7247677","11.3383","0.0003","17.6646","0.0005","25.5872","0.0007","72.04","0.001","79.167","0.001","82.071","0.002","4770.6","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","4,4'-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']bisthiophene 2,7-diyl)bis{7-[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]-2,1,3- benzothiadiazole} acetone chloroform solvate","","- C189 H197 Cl3 N24 O36 S8 -","- C189 H197 Cl3 N24 O36 S8 -","- C189 H197 Cl3 N24 O36 S8 -","1","0.5","","Yuxuan Che; Muhammad Rizwan Niazi; Ting Yu; Thierry Maris; Cheng-Hao Liu; Dongling Ma; Ricardo Izquierdo; Igor F. Perepichka; Dmytro F. Perepichka","Nitrofluorene-based A-D-A electron acceptors for organic photovoltaics","Journal of Material Chemistry C","2023","11","","8186","8195","10.1039/d2tc05127c","","x-ray","1.34139","GaKα","","0.0889","0.0866","","","0.2496","0.2525","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","287431","2023-11-06","14:19:48",""
"7247678","28.704","0.003","27.446","0.003","15.1128","0.0016","90","","93.631","0.005","90","","11882","2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5'-((((4,4,9,9-tetrahexadecyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b'] dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl)) bis(furan-5,2-diyl))bis(methaneylylidene)) bis(3-ethyl-2-thioxothiazolidin-4-one) acetone solvate","","- C112 H156 N6 O4 S8 -","- C112 H156 N6 O4 S8 -","- C448 H624 N24 O16 S32 -","4","0.5","","Yuxuan Che; Muhammad Rizwan Niazi; Ting Yu; Thierry Maris; Cheng-Hao Liu; Dongling Ma; Ricardo Izquierdo; Igor F. Perepichka; Dmytro F. Perepichka","Nitrofluorene-based A-D-A electron acceptors for organic photovoltaics","Journal of Material Chemistry C","2023","11","","8186","8195","10.1039/d2tc05127c","","x-ray","1.34139","GaKα","","0.1314","0.125","","","0.4312","0.442","","","","","","1.363","","","","has coordinates,has disorder,has Fobs","287432","2023-11-06","14:22:34",""
"7247679","8.716","0.0012","8.716","0.0012","10.946","0.002","90","","90","","120","","720.15","0.19","100.15","","100.15","","","","","","","","","4","R -3 :H","-R 3","148","","Pentachloronitrobenzene","","- C6 Cl5 N O2 -","- C6 Cl4.9998 N1.0002 O2.0004 -","- C18 Cl14.9994 N3.0006 O6.0012 -","3","0.166667","","Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos","Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.","Physical chemistry chemical physics : PCCP","2023","25","44","30553","30562","10.1039/d3cp02633g","","","0.72931","synchrotron","","0.0435","0.0429","","","0.1355","0.1371","","","","","","1.107","","","","has coordinates,has disorder","288902","2024-01-06","09:51:40",""
"7247680","8.744","0.0012","8.744","0.0012","11.068","0.002","90","","90","","120","","732.86","0.19","200.15","","200.15","","","","","","","","","4","R -3 :H","-R 3","148","","Pentachloronitrobenzene","","- C6 Cl5 N O2 -","- C6 Cl4.9998 N1.0002 O2.0004 -","- C18 Cl14.9994 N3.0006 O6.0012 -","3","0.166667","","Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos","Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.","Physical chemistry chemical physics : PCCP","2023","25","44","30553","30562","10.1039/d3cp02633g","","","0.72931","synchrotron","","0.058","0.0543","","","0.1341","0.1395","","","","","","0.882","","","","has coordinates,has disorder","288902","2024-01-06","09:51:50",""
"7247681","13.8174","0.0003","13.8174","0.0003","26.1691","0.0012","90","","90","","120","","4326.9","0.2","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 In N3 O9 -","- C33 H24 In N3 O9 -","- C198 H144 In6 N18 O54 -","6","0.333333","","Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng","Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex","CrystEngComm","2023","25","47","6627","6634","10.1039/D3CE00904A","","","0.71073","MoKα","","0.0369","0.0299","","","0.0598","0.0674","","","","","","1.124","","","","has coordinates","288792","2024-01-06","07:57:35",""
"7247682","10.949","0.0005","11.9806","0.0007","12.0973","0.0006","112.946","0.005","106.988","0.004","99.066","0.004","1329.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 Ni O11 -","- C22 H26.5 N8 Ni O10.75 -","- C44 H53 N16 Ni2 O21.5 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","1.54184","CuKα","","0.0379","0.0326","","","0.0824","0.0861","","","","","","1.046","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247683","11.1064","0.0009","12.1528","0.0011","12.3032","0.0012","113.663","0.009","106.663","0.008","98.98","0.007","1385.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 O11 Zn -","- C22 H26 N8 O10 Zn -","- C44 H52 N16 O20 Zn2 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","0.71073","MoKα","","0.1111","0.0638","","","0.1304","0.1583","","","","","","1.016","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247684","24.7681","0.0012","15.3486","0.0011","17.0756","0.0011","90","","100.464","0.004","90","","6383.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 Br2 N4 O Pd -","- C31 H40 Br2 N4 O Pd -","- C248 H320 Br16 N32 O8 Pd8 -","8","1","","Bensalah, Donia; Mansour, Lamjed; Sauthier, Mathieu; Gurbuz, Nevin; Özdemir, Ismail; Beji, Lotfi; Gatri, Rafik; Hamdi, Naceur","Plausible PEPPSI catalysts for direct C–H functionalization of five-membered heterocyclic bioactive motifs: synthesis, spectral, X-ray crystallographic characterizations and catalytic activity","RSC Advances","2023","13","45","31386","31410","10.1039/D3RA06334H","","","0.71073","MoKα","","0.1082","0.0487","","","0.0815","0.0981","","","","","","0.933","","","","has coordinates","287484","2023-11-08","02:20:54",""
"7247685","16.1956","0.0004","7.178","0.0002","7.2126","0.0002","90","","100.097","0.002","90","","825.49","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O4 -","- C8 H20 Cl4 Mn N2 O4 -","- C16 H40 Cl8 Mn2 N4 O8 -","2","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.022","0.0199","","","0.0502","0.0512","","","","","","1.129","","","","has coordinates","288795","2024-01-06","07:59:40",""
"7247686","21.3208","0.0014","7.0794","0.0004","11.144","0.0006","90","","107.916","0.002","90","","1600.49","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl4 Mn N2 O6 -","- C6 H20 Cl4 Mn N2 O6 -","- C24 H80 Cl16 Mn4 N8 O24 -","4","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0206","0.0182","","","0.0458","0.0467","","","","","","1.16","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247687","5.9046","0.0004","7.8188","0.0005","11.5638","0.0007","91.74","0.002","99.872","0.002","104.651","0.002","507.33","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","1","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0233","0.0192","","","0.0459","0.0476","","","","","","1.077","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247688","7.137","0.0001","7.2664","0.0001","19.6318","0.0004","85.695","0.002","87.366","0.002","88.66","0.002","1013.96","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Mn N2 O4 -","- C12 H28 Cl4 Mn N2 O4 -","- C24 H56 Cl8 Mn2 N4 O8 -","2","1","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0626","","","","","","1.11","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247689","14.815","0.002","8.0553","0.0013","16.905","0.0019","90","","92.113","0.008","90","","2016.1","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 N30 O36 -","- C18 H6 N30 O36 -","- C36 H12 N60 O72 -","2","0.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0833","0.0488","","","0.1193","0.1407","","","","","","1.053","","","","has coordinates","288906","2024-01-06","09:54:01",""
"7247690","15.104","0.0012","8.246","0.001","17.1411","0.0012","90","","92.235","0.004","90","","2133.3","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 N30 O36 -","- C18 H6 N30 O36 -","- C36 H12 N60 O72 -","2","0.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0783","0.0453","","","0.1128","0.1319","","","","","","1.1","","","","has coordinates","288906","2024-01-06","09:54:13",""
"7247691","14.6452","0.001","7.9546","0.0007","16.7946","0.0009","90","","92.018","0.004","90","","1955.3","0.2","298.4","","298.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 N15 O18 -","- C9 H3 N15 O18 -","- C36 H12 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0761","0.0458","","","0.1243","0.143","","","","","","1.066","","","","has coordinates","288906","2024-01-06","09:54:18",""
"7247692","19.5713","0.0011","7.6509","0.0008","14.6982","0.0009","90","","127.661","0.002","90","","1742.3","0.2","298.4","","298.4","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C9 N15 O18 -","- C9 N15 O18 -","- C36 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0458","0.0399","","","0.1013","0.1053","","","","","","1.069","","","","has coordinates","288906","2024-01-06","09:54:30",""
"7247693","14.7836","0.0011","8.0383","0.0008","16.867","0.0012","90","","92.078","0.004","90","","2003.1","0.3","300.8","","300.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 N15 O18 -","- C9 H3 N15 O18 -","- C36 H12 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0767","0.0445","","","0.1081","0.1236","","","","","","1.051","","","","has coordinates","288906","2024-01-06","09:54:33",""
"7247694","19.3994","0.0012","7.5957","0.0008","14.5289","0.0016","90","","127.637","0.003","90","","1695.3","0.3","298.4","","298.4","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H0.25 N15 O18 -","- C9 N15 O18 -","- C36 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0412","0.0368","","","0.0993","0.1025","","","","","","1.089","","","","has coordinates","288906","2024-01-06","09:54:43",""
"7247695","19.319","0.002","7.5668","0.0013","14.458","0.003","90","","127.623","0.005","90","","1674","0.5","287.2","","287.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 N30 O36 -","- C18 N30 O36 -","- C36 N60 O72 -","2","0.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0522","0.0416","","","0.1072","0.1137","","","","","","1.017","","","","has coordinates","288906","2024-01-06","09:54:54",""
"7247696","14.937","0.0017","8.1341","0.0011","16.989","0.0017","90","","92.17","0.007","90","","2062.7","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 N30 O36 -","- C18 H6 N30 O36 -","- C36 H12 N60 O72 -","2","0.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0998","0.0512","","","0.1246","0.1499","","","","","","1.045","","","","has coordinates","288906","2024-01-06","09:55:00",""
"7247697","14.2569","0.0007","7.6573","0.0006","16.6118","0.0008","90","","92.197","0.003","90","","1812.17","0.19","298.4","","298.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 N15 O18 -","- C9 H3 N15 O18 -","- C36 H12 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0546","0.0366","","","0.0969","0.1071","","","","","","1.041","","","","has coordinates","288906","2024-01-06","09:55:13",""
"7247698","12.112","0.0005","7.3561","0.0003","18.2597","0.0006","90","","99.73","0.002","90","","1603.48","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F3 N2 -","- C16 H12 Br F3 N2 -","- C64 H48 Br4 F12 N8 -","4","1","","Zheng, Yongpeng; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing; Jiang, Huanfeng","Rapid assembly of structurally diverse cyanamides and disulfanes via base-mediated aminoalkylation of aryl thiourea","RSC Advances","2023","13","47","33047","33052","10.1039/D3RA06051A","","","0.71073","MoKα","","0.0485","0.033","","","0.0693","0.0772","","","","","","1.037","","","","has coordinates","287507","2023-11-10","02:20:51",""
"7247699","6.5729","0.0005","29.957","0.002","6.9575","0.0005","90","","100.913","0.003","90","","1345.19","0.17","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Zheng, Yongpeng; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing; Jiang, Huanfeng","Rapid assembly of structurally diverse cyanamides and disulfanes via base-mediated aminoalkylation of aryl thiourea","RSC Advances","2023","13","47","33047","33052","10.1039/D3RA06051A","","","0.71073","MoKα","","0.0923","0.0505","","","0.1056","0.1288","","","","","","1.071","","","","has coordinates","287507","2023-11-10","02:20:52",""
"7247700","10.5007","0.0001","19.5547","0.0002","8.6349","0.0001","90","","97.941","0.001","90","","1756.07","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(phenyl)-1,3,4-oxadiazole","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.0435","0.0405","","","0.1194","0.1225","","","","","","1.09","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247701","10.4066","0.0001","24.9033","0.0002","8.8792","0.0001","90","","97.936","0.001","90","","2279.08","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.048","0.0454","","","0.1342","0.1372","","","","","","1.053","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247702","10.4819","0.0007","10.9273","0.0007","12.5634","0.0007","104.646","0.002","108.134","0.002","97.016","0.002","1291.14","0.14","172.99","","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu","A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing","CrystEngComm","2023","25","47","6528","6532","10.1039/D3CE00902E","","","0.71073","MoKα","","0.0207","0.019","","","0.0466","0.0479","","","","","","1.139","","","","has coordinates,has disorder","288790","2024-01-06","07:57:11",""
"7247703","11.5372","0.0011","11.7335","0.0009","10.3893","0.0009","90","","104.132","0.009","90","","1363.9","0.2","199.99","0.1","199.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F7 N3 -","- C13 H8 F7 N3 -","- C52 H32 F28 N12 -","4","1","","Han, Wei; Chen, Yu-Lan; Tang, Xi; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Water-promoted defluorinative synthesis of fluoroalkylated 1,5-diazapentadienes by using (NH4)2CO3 as an NH2 and NH source","Green Chemistry","2023","25","23","9672","9679","10.1039/D3GC03717G","","x-ray","0.71073","MoKα","","0.0479","0.0395","","","0.0986","0.1047","","","","","","1.069","","","","has coordinates","288821","2024-01-06","08:24:32",""
"7247704","6.2755","0.001","8.141","0.0009","19.0094","0.0012","81.051","0.007","85.123","0.009","84.276","0.011","952.2","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F7 N O3 S -","- C19 H14 F7 N O3 S -","- C38 H28 F14 N2 O6 S2 -","2","1","","Han, Wei; Chen, Yu-Lan; Tang, Xi; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Water-promoted defluorinative synthesis of fluoroalkylated 1,5-diazapentadienes by using (NH4)2CO3 as an NH2 and NH source","Green Chemistry","2023","25","23","9672","9679","10.1039/D3GC03717G","","x-ray","1.54184","CuKα","","0.106","0.0955","","","0.268","0.2865","","","","","","1.087","","","","has coordinates","288821","2024-01-06","08:24:34",""
"7247705","30.238","0.006","30.238","0.006","15.131","0.005","90","","90","","120","","11981","5","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H72 Hf6 O32 -","- C120 H72 Hf6 O32 -","- C360 H216 Hf18 O96 -","3","0.166667","","Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi","A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation","CrystEngComm","2023","25","46","6489","6495","10.1039/D3CE01022H","","","0.71073","MoKα","","0.0765","0.0504","","","0.1386","0.1593","","","","","","0.974","","","","has coordinates","288782","2024-01-06","07:56:08",""
"7247706","4.2522","0.0009","4.7701","0.0011","15.904","0.006","88.9","0.03","84.67","0.02","73.309","0.019","307.65","0.15","295","","295","1","150000","","150000","","","","","2","P -1","-P 1","2","dodecane","n-dodecane","","- C12 H26 -","- C12 H26 -","- C12 H26 -","1","0.5","","Poręba, Tomasz; Kicior, Inga","Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes","RSC Advances","2023","13","47","33305","33317","10.1039/D3RA06957E","","x-ray","0.41","synchrotron","","0.0953","0.0662","","","0.2262","0.2574","","","","","","1.075","","","","has coordinates","288091","2023-12-06","15:51:23",""
"7247707","4.1808","0.0005","4.7113","0.0003","29.53","0.02","93.609","0.019","90.41","0.02","107.274","0.009","554.1","0.4","295","","295","","170000","","170000","","","","","2","P -1","-P 1","2","undecane","n-undecane","","- C11 H24 -","- C11 H24 -","- C22 H48 -","2","1","","Poręba, Tomasz; Kicior, Inga","Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes","RSC Advances","2023","13","47","33305","33317","10.1039/D3RA06957E","","x-ray","0.41","synchrotron","","0.1045","0.0539","","","0.1564","0.1951","","","","","","0.995","","","","has coordinates","288091","2023-12-06","15:51:23",""
"7247709","35.975","0.0019","6.3852","0.0004","17.1343","0.0009","90","","104.246","0.003","90","","3814.8","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Tioconazole Hydrobromide Salt","","","- C16 H14 Br Cl3 N2 O S -","- C16 H14 Br Cl3 N2 O S -","- C128 H112 Br8 Cl24 N16 O8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54178","CuKα","","0.0675","0.0478","","","0.1178","0.1306","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:43",""
"7247710","7.7627","0.0005","11.9414","0.0006","14.9934","0.0007","110.029","0.005","96.939","0.005","103.891","0.005","1235.79","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tiaconazole-2-Chloro-4-nitrobenzoic acid cocrystal","","","- C23 H16 Cl4 N3 O5 S -","- C23 H16 Cl4 N3 O5 S -","- C46 H32 Cl8 N6 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1344","0.0874","","","0.2182","0.2393","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247711","7.8551","0.0005","46.374","0.002","12.4658","0.0005","90","","90.468","0.004","90","","4540.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tioconazole-fumerate salt hemihydrate","","","- C40 H36 Cl6 N4 O11 S2 -","- C40 H36 Cl6 N4 O11 S2 -","- C160 H144 Cl24 N16 O44 S8 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.2218","0.1029","","","0.2385","0.3075","","","","","","1.034","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247712","7.5563","0.0002","8.3022","0.0002","20.6593","0.0005","83.732","0.002","82.528","0.002","89.714","0.002","1277.3","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tiaconazole-L-tartrate-L-tartaric acid (2:2:1)salt cocrystal","","","- C22 H22 Cl3 N2 O10 S -","- C22 H22 Cl3 N2 O10 S -","- C44 H44 Cl6 N4 O20 S2 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0568","0.0532","","","0.1376","0.1402","","","","","","1.043","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247713","10.2522","0.0002","10.7638","0.0004","11.0528","0.0004","112.364","0.004","105.711","0.002","96.357","0.002","1054.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate-oxalic acid (1:0.5:0.5)salt cocrystal","","","- C18 H15 Cl3 N2 O5 S -","- C18 H15 Cl3 N2 O5 S -","- C36 H30 Cl6 N4 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.099","0.0918","","","0.2553","0.2641","","","","","","1.041","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247714","8.0219","0.0002","12.3226","0.0003","23.9838","0.0005","97.644","0.002","99.212","0.002","90.462","0.002","2318.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Nicotinic acid cocrystal","","","- C22 H18 Cl3 N3 O3 S -","- C22 H18 Cl3 N3 O3 S -","- C88 H72 Cl12 N12 O12 S4 -","4","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0813","0.073","","","0.1879","0.2019","","","","","","1.086","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247715","16.9432","0.001","6.7811","0.0003","34.455","0.002","90","","98.406","0.005","90","","3916.1","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H15 Cl3 N2 O5 S2 -","- C16 H15 Cl3 N2 O5 S2 -","- C128 H120 Cl24 N16 O40 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1484","0.1013","","","0.2524","0.3134","","","","","","1.038","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247716","7.488","0.0002","11.3843","0.0004","13.028","0.0004","83.111","0.003","83.102","0.003","75.116","0.003","1060.94","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-ter-pthalic acid (1:0.5) cocrystal","","","- C20 H16 Cl3 N2 O3 S -","- C20 H16 Cl3 N2 O3 S -","- C40 H32 Cl6 N4 O6 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0758","0.0679","","","0.1792","0.1925","","","","","","1.075","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247717","28.7499","0.0012","6.6873","0.0005","26.7737","0.001","90","","106.37","0.004","90","","4938.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tioconazole-p-tolunesulfonate salt","","","- C23 H14 Cl3 N2 O4 S2 -","- C23 H14 Cl3 N2 O4 S2 -","- C184 H112 Cl24 N16 O32 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1162","0.077","","","0.1836","0.2195","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247718","8.4631","0.0003","12.0147","0.0006","21.5955","0.0018","82.36","0.009","88.44","0.006","88.592","0.003","2175.1","0.2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl6 N4 O11 S3 -","- C32 H32 Cl6 N4 O11 S3 -","- C64 H64 Cl12 N8 O22 S6 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1016","0.086","","","0.2464","0.2716","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247719","7.6028","0.0001","9.9444","0.0001","35.6016","0.0004","90","","90","","90","","2691.67","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tioconazole-L-tartrate 1:1 salt hydrate","","","- C20 H25 Cl3 N2 O10.42 S -","- C20 H25 Cl3 N2 O10.42 S -","- C80 H100 Cl12 N8 O41.68 S4 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0641","0.0618","","","0.1301","0.1312","","","","","","1.146","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247720","10.5568","0.0003","10.9083","0.0003","20.8988","0.0004","86.078","0.002","77.368","0.002","66.24","0.003","2148.81","0.11","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tioconzaole sulfate (2:1) salt heptahydrate","","","- C32 H42 Cl6 N4 O13 S3 -","- C32 H42 Cl6 N4 O13 S3 -","- C64 H84 Cl12 N8 O26 S6 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0773","0.0677","","","0.1937","0.206","","","","","","1.069","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247721","7.6541","0.0001","15.9993","0.0004","17.8133","0.0005","73.851","0.002","78.295","0.002","85.648","0.002","2051.33","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate (2:1)salt tetrahydrate","","","- C34 H36 Cl6 N4 O10 S2 -","- C34 H36 Cl6 N4 O10 S2 -","- C68 H72 Cl12 N8 O20 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0555","0.0492","","","0.1362","0.1414","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247722","7.4874","0.0002","8.0833","0.0003","19.8791","0.0005","94.572","0.002","98.318","0.002","94.709","0.003","1181.34","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Fumerate salt monohydrate","","","- C20 H17 Cl3 N2 O6 S -","- C20 H17 Cl3 N2 O6 S -","- C40 H34 Cl6 N4 O12 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0836","0.0726","","","0.1881","0.2029","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247723","17.2992","0.0013","6.8054","0.0005","34.882","0.003","90","","99.792","0.008","90","","4046.8","0.6","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl3 N2 O5 P S -","- C16 H14 Cl3 N2 O5 P S -","- C128 H112 Cl24 N16 O40 P8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1453","0.0748","","","0.2161","0.2693","","","","","","1.096","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247724","10.729","0.0003","12.8274","0.0003","16.0617","0.0005","78.507","0.002","83.668","0.002","85.091","0.002","2148.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Terepthalic acid cocrystal","","","- C40 H30 Cl6 N4 O6 S2 -","- C40 H30 Cl6 N4 O6 S2 -","- C80 H60 Cl12 N8 O12 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1246","0.0958","","","0.2802","0.333","","","","","","1.187","","","","has coordinates,has disorder","288801","2024-01-06","08:01:57",""
"7247725","9.5594","0.0007","19.9216","0.0015","10.3113","0.0008","90","","110.294","0.009","90","","1841.8","0.3","220.03","0.1","220.03","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br F2 N2 O -","- C21 H17 Br F2 N2 O -","- C84 H68 Br4 F8 N8 O4 -","4","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","0.71073","MoKα","","0.0546","0.0372","","","0.0795","0.0874","","","","","","1.034","","","","has coordinates","288818","2024-01-06","08:22:34",""
"7247726","8.8203","0.0005","9.1068","0.0006","10.6468","0.0006","67.05","0.006","88.22","0.004","71.172","0.005","740.95","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F N2 O2 -","- C17 H15 F N2 O2 -","- C34 H30 F2 N4 O4 -","2","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","1.54184","CuKα","","0.0611","0.0581","","","0.1552","0.1585","","","","","","1.082","","","","has coordinates","288818","2024-01-06","08:22:42",""
"7247727","37.7194","0.0004","16.9142","0.0002","9.49011","0.00012","90","","90","","90","","6054.63","0.12","294.6","0.1","294.6","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H16 F2 N2 O -","- C17 H16 F2 N2 O -","- C272 H256 F32 N32 O16 -","16","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","1.54184","CuKα","","0.0335","0.0323","","","0.0859","0.0871","","","","","","1.051","","","","has coordinates","288818","2024-01-06","08:22:54",""
"7247728","11.0253","0.0012","19.0234","0.0019","11.08","0.0013","90","","117.375","0.015","90","","2063.7","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F N2 O3 S -","- C24 H21 F N2 O3 S -","- C96 H84 F4 N8 O12 S4 -","4","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","0.71073","MoKα","","0.0518","0.0422","","","0.0986","0.1036","","","","","","1.073","","","","has coordinates","288818","2024-01-06","08:23:06",""
"7247729","11.75","0.04","14.98","0.05","15.88","0.05","106.46","0.03","101.62","0.03","98.45","0.03","2563","15","103","","103","","","","","","","","","3","P -1","-P 1","2","C70@N6","","","- C172 H65 Cl -","- C172 H65 Cl -","- C172 H65 Cl -","1","0.5","","Mei, Peifeng; Morimoto, Hirofumi; Okada, Yuta; Matsuo, Kyohei; Hayashi, Hironobu; Saeki, Akinori; Yamada, Hiroko; Aratani, Naoki","Complexation study of a 1,3-phenylene-bridged cyclic hexa-naphthalene with fullerenes C60 and C70 in solution and 1D-alignment of fullerenes in the crystals","RSC Advances","2023","13","47","33459","33462","10.1039/D3RA06526J","","","0.71073","MoKα","","0.4092","0.1092","","","0.2259","0.4205","","","","","","1.084","","","","has coordinates,has disorder","287604","2023-11-15","02:14:04",""
"7247730","12.994","0.003","18.489","0.004","20.221","0.004","90","","90","","90","","4858","1.8","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Co2 N4 O16 -","- C48 H48 Co2 N4 O16 -","- C192 H192 Co8 N16 O64 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1222","0.0675","","","0.1084","0.1274","","","","","","1.008","","","","has coordinates","288802","2024-01-06","08:02:39",""
"7247731","10.3085","0.0007","16.7006","0.0011","18.9218","0.0013","90","","90","","90","","3257.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H26 Co N4 O6 -","- C34 H26 Co N4 O6 -","- C136 H104 Co4 N16 O24 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0979","0.0768","","","0.1527","0.1631","","","","","","1.176","","","","has coordinates","288802","2024-01-06","08:02:42",""
"7247732","26.789","0.003","26.789","0.003","25.456","0.003","90","","90","","120","","15821","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 N3 Ni O7 -","- C28 H23 N3 Ni O7 -","- C504 H414 N54 Ni18 O126 -","18","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1508","0.0821","","","0.2118","0.2476","","","","","","1.042","","","","has coordinates","288802","2024-01-06","08:02:52",""
"7247733","10.4988","0.0003","16.7826","0.0004","18.4931","0.0005","90","","90","","90","","3258.43","0.15","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70 H55 N9 Ni2 O12 -","- C70 H55 N9 Ni2 O12 -","- C140 H110 N18 Ni4 O24 -","2","0.25","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0728","0.0568","","","0.151","0.1651","","","","","","1.07","","","","has coordinates,has disorder","288802","2024-01-06","08:03:03",""
"7247734","7.74397","0.00015","5.37413","0.0001","18.739","0.0003","90","","99.3886","0.0018","90","","769.42","0.02","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O2 -","- C8 H4 N4 O2 -","- C32 H16 N16 O8 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0398","0.0382","","","0.1031","0.1047","","","","","","1.041","","","","has coordinates","288796","2024-01-06","07:59:52",""
"7247735","14.2846","0.0002","9.9978","0.0001","6.3863","0.0001","90","","90","","90","","912.06","0.02","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C32 H12 N20 O16 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0623","0.0625","","","","","","1.075","","","","has coordinates","288796","2024-01-06","08:00:03",""
"7247736","8.6598","0.0002","12.7026","0.0003","15.575","0.0004","90","","90","","90","","1713.28","0.07","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C64 H24 N40 O32 -","8","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1219","0.1247","","","","","","1.059","","","","has coordinates","288796","2024-01-06","08:00:05",""
"7247737","14.40027","0.00012","10.46252","0.00009","6.13809","0.00005","90","","90","","90","","924.784","0.013","99.98","0.15","99.98","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.031","0.0308","","","0.083","0.0831","","","","","","1.077","","","","has coordinates","288796","2024-01-06","08:00:17",""
"7247738","8.0979","0.0001","15.91","0.0001","18.7119","0.0001","90","","95.287","0.001","90","","2400.54","0.04","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O3 -","- C8 H4 N4 O3 -","- C96 H48 N48 O36 -","12","3","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0371","0.0357","","","0.0971","0.0983","","","","","","1.034","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247739","12.53304","0.00019","8.30693","0.00013","9.61288","0.00013","90","","90","","90","","1000.81","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H2 N6 O6 -","- C8 H2 N6 O6 -","- C32 H8 N24 O24 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0879","0.0882","","","","","","1.058","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247740","22.7584","0.0008","9.418","0.0002","18.1546","0.0006","90","","112.265","0.004","90","","3601.1","0.2","150","2","149.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cu O3 P2 S -","- C42 H35 Cu O3 P2 S -","- C168 H140 Cu4 O12 P8 S4 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","x-ray","0.71073","MoKα","","0.0599","0.0395","","","0.072","0.0788","","","","","","1.037","","","","has coordinates","288803","2024-01-06","08:03:11",""
"7247741","9.658","0.00014","10.04345","0.00011","18.763","0.0003","76.6204","0.0011","85.3079","0.0011","81.3483","0.001","1748.37","0.04","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C74.5 H67.46 Cl0.54 Ni2 O11.28 P4 S3.7 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","","1.54184","CuKα","","0.0405","0.0367","","","0.0928","0.095","","","","","","1.082","","","","has coordinates,has disorder","288803","2024-01-06","08:03:11",""
"7247742","6.8294","0.0001","14.2435","0.0002","20.7154","0.0002","90","","90","","90","","2015.08","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O S -","- C24 H23 Br O S -","- C96 H92 Br4 O4 S4 -","4","1","","Fan, Xin-Yang; Li, Jia-Cheng; Zhou, Ji-Jia; Zhou, Bo; Ye, Long-Wu","Chiral Brønsted acid-catalyzed asymmetric dearomative spirocyclization of alkynyl thioethers","Green Chemistry","2023","25","24","10638","10643","10.1039/D3GC03222A","","x-ray","1.54184","CuKα","","0.0275","0.0258","","","0.0648","0.0655","","","","","","1.038","","","","has coordinates","288815","2024-01-06","08:21:21",""
"7247743","11.505","0.003","37.012","0.01","9.556","0.002","90","","111.92","0.005","90","","3775","1.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hydrazine bridged 3-pyrollyl BODIPY","","- C42 H32 B2 F4 N8 -","- C42 H32 B2 F4 N8 -","- C168 H128 B8 F16 N32 -","4","1","","Behera, Kanhu Charan; Ravikanth, Mangalampalli","A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore.","Physical chemistry chemical physics : PCCP","2023","25","47","32584","32593","10.1039/d3cp04234k","","x-ray","0.71073","MoKα","","0.1607","0.0974","","","0.1954","0.213","","","","","","1.052","","","","has coordinates","288909","2024-01-06","09:56:17",""
"7247744","11.338","0.0014","12.4628","0.0015","13.4549","0.0017","90","","106.655","0.002","90","","1821.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N -","- C24 H16 Br N -","- C96 H64 Br4 N4 -","4","1","","Yang, Ruchun; Xiong, Yongge; Deng, Si; Bai, Jiang; Song, Xian-Rong; Xiao, Qiang","NBS-mediated bromination and dehydrogenation of tetrahydro-quinoline in one pot: scope and mechanistic study","RSC Advances","2023","13","47","33495","33499","10.1039/D3RA06747E","","","0.71073","MoKα","","0.0567","0.0344","","","0.086","0.0932","","","","","","0.99","","","","has coordinates","287637","2023-11-16","02:16:10",""
"7247745","7.0295","0.0004","27.8164","0.0016","12.8722","0.0007","90","","99.071","0.005","90","","2485.5","0.2","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","","Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar","Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water","CrystEngComm","2023","25","48","6837","6844","10.1039/D3CE00996C","","","0.71073","MoKα","","0.0801","0.0576","","","0.1378","0.1577","","","","","","1.032","","","","has coordinates","288797","2024-01-06","08:00:32",""
"7247750","7.959","0.0006","10.7872","0.0008","29.582","0.002","90","","93.461","0.004","90","","2535.1","0.3","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 Mn N4 O4 -","- C30 H18 Mn N4 O4 -","- C120 H72 Mn4 N16 O16 -","4","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.34139","GaKα","","0.05","0.036","","","0.0876","0.0943","","","","","","1.032","","","","has coordinates,has disorder","288798","2024-01-06","08:00:41",""
"7247751","9.584","0.0002","10.552","0.0003","11.7635","0.0003","93.832","0.001","111.246","0.001","108.96","0.001","1025.39","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Mn N4 O5 -","- C24 H17 Mn N4 O5 -","- C48 H34 Mn2 N8 O10 -","2","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.54178","CuKα","","0.0327","0.0299","","","0.0763","0.0786","","","","","","1.049","","","","has coordinates,has disorder","288798","2024-01-06","08:00:47",""
"7247752","13.6684","0.0008","9.1256","0.0004","14.0839","0.0008","90","","111.168","0.007","90","","1638.18","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl2 N2 O2 S -","- C16 H12 Cl2 N2 O2 S -","- C64 H48 Cl8 N8 O8 S4 -","4","1","","Qadri, Tahir; Aziz, Mubashir; Channar, Pervaiz Ali; Ejaz, Syeda Abida; Hussain, Mumtaz; Attaullah, Hafiz Muhammad; Ujan, Rabail; Hussain, Zahid; Zehra, Tasneem; Saeed, Aamer; Shah, M. R.; Ogaly, Hanan A.; Al-Zahrani, Fatimah A. M.","Synthesis, biological evaluation and in silico investigations of benzotriazole derivatives as potential inhibitors of NIMA related kinase","RSC Advances","2023","13","48","33826","33843","10.1039/D3RA06149C","","x-ray","1.54184","CuKα","","0.0478","0.0427","","","0.1159","0.1215","","","","","","1.059","","","","has coordinates","287683","2023-11-18","02:11:39",""
"7247753","6.8042","0.0004","9.4238","0.0003","27.8269","0.001","90.365","0.003","92.745","0.004","102.252","0.004","1741.41","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H26 N4 -","- C39 H26 N4 -","- C78 H52 N8 -","2","1","","Wu, Gui-Yuan; Zhu, Hui-Min; Li, Hao; Zhang, Kai; Zhang, Xianyi; Yan, Dong; Zhang, Xiu-Du; Lin, Lili; Lu, Zhou","The impact of aggregation of AIE and ACQ moiety-integrating material on the excited state dynamics","RSC Advances","2023","13","48","33911","33917","10.1039/D3RA06359C","","","1.54178","CuKα","","0.1382","0.1088","","","0.2845","0.298","","","","","","1.681","","","","has coordinates,has disorder","287699","2023-11-21","02:14:30",""
"7247758","48.478","0.019","7.4","0.003","5.597","0.002","90","","93.301","0.009","90","","2004.5","1.3","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O2 -","- C20 H40 O2 -","- C80 H160 O8 -","4","1","","Cardoso, Luanny M. B.; de Oliveira Neto, João G.; Saraiva, Gilberto D.; Leite, Fábio F.; Ayala, Alejandro P.; dos Santos, Adenilson O.; de Sousa, Francisco F.","New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations","RSC Advances","2023","13","48","34032","34044","10.1039/D3RA05388A","","","0.71073","MoKα","","0.2057","0.095","","","0.271","0.3471","","","","","","1.035","","","","has coordinates","287717","2023-11-22","02:11:31",""
"7247759","48.445","0.007","7.1499","0.001","5.5267","0.0008","90","","92.785","0.005","90","","1912.1","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O2 -","- C20 H40 O2 -","- C80 H160 O8 -","4","1","","Cardoso, Luanny M. B.; de Oliveira Neto, João G.; Saraiva, Gilberto D.; Leite, Fábio F.; Ayala, Alejandro P.; dos Santos, Adenilson O.; de Sousa, Francisco F.","New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations","RSC Advances","2023","13","48","34032","34044","10.1039/D3RA05388A","","","0.71073","MoKα","","0.0968","0.0684","","","0.1902","0.2135","","","","","","1.096","","","","has coordinates","287717","2023-11-22","02:11:42",""
"7247760","4.7906","0.0002","13.1169","0.0006","25.4767","0.0012","90","","90","","90","","1600.9","0.12","160","1","160","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Cl F3 N3 O S -","- C16 H11 Cl F3 N3 O S -","- C64 H44 Cl4 F12 N12 O4 S4 -","4","1","","Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah","A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking","RSC Advances","2023","13","48","34064","34077","10.1039/D3RA07169C","","x-ray","1.54184","CuKα","","0.0473","0.0399","","","0.0994","0.1042","","","","","","1.035","","","","has coordinates","287718","2023-11-22","02:12:55",""
"7247761","28.8781","0.0009","13.8936","0.0004","7.7325","0.0003","90","","90","","90","","3102.44","0.18","160","1","160","1","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C15 H10 Cl F2 N3 O S -","- C15 H10 Cl F2 N3 O S -","- C120 H80 Cl8 F16 N24 O8 S8 -","8","1","","Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah","A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking","RSC Advances","2023","13","48","34064","34077","10.1039/D3RA07169C","","x-ray","1.54184","CuKα","","0.0334","0.027","","","0.0581","0.0607","","","","","","1.061","","","","has coordinates","287718","2023-11-22","02:13:06",""
"7247762","17.1155","0.0007","17.1155","0.0007","17.1155","0.0007","90","","90","","90","","5013.8","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8.34 H11 Co N9.17 O0.17 -","- C8 H10 Co N9.16667 -","- C96 H120 Co12 N110 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0696","0.066","","","0.1848","0.1875","","","","","","1.189","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247763","16.9979","0.0006","16.9979","0.0006","16.9979","0.0006","90","","90","","90","","4911.2","0.3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.44 -","- C8 H10 Co N10.4445 -","- C96 H120 Co12 N125.334 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0847","0.0801","","","0.2325","0.2398","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247764","17.0426","0.0004","17.0426","0.0004","17.0426","0.0004","90","","90","","90","","4950","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10 H16 Co N4 O -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0619","0.043","","","0.0932","0.0984","","","","","","1.014","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247765","16.8057","0.0004","16.8057","0.0004","16.8057","0.0004","90","","90","","90","","4746.5","0.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.73 -","- C8 H10 Co N13.7334 -","- C96 H120 Co12 N164.801 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0781","0.0721","","","0.1893","0.1947","","","","","","1.105","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247766","16.9247","0.0006","16.9247","0.0006","16.9247","0.0006","90","","90","","90","","4848","0.3","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13 -","- C8 H10 Co N13.0001 -","- C96 H120 Co12 N156.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0867","0.0816","","","0.2091","0.2136","","","","","","1.113","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247767","16.6284","0.0004","16.6284","0.0004","16.6284","0.0004","90","","90","","90","","4597.81","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.1064","0.0871","","","0.2123","0.2224","","","","","","1.178","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247768","17.074","0.0004","17.074","0.0004","17.074","0.0004","90","","90","","90","","4977.4","0.2","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.08 -","- C8 H10 Co N10.0835 -","- C96 H120 Co12 N121.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0707","0.0675","","","0.2079","0.2103","","","","","","1.249","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247769","17.2086","0.0004","17.2086","0.0004","17.2086","0.0004","90","","90","","90","","5096.1","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10.92 H21.67 Co N4 O2.92 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0191","0.0185","","","0.0514","0.0516","","","","","","1.106","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247770","17.223","0.0004","17.223","0.0004","17.223","0.0004","90","","90","","90","","5108.9","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.75 H25 Co N4 O3.75 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0453","0.0415","","","0.1183","0.1245","","","","","","1.168","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247771","16.7265","0.0004","16.7265","0.0004","16.7265","0.0004","90","","90","","90","","4679.67","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.83 -","- C8 H10 Co N13.8335 -","- C96 H120 Co12 N166.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0788","0.0744","","","0.1887","0.1935","","","","","","1.162","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247772","16.4992","0.0004","16.4992","0.0004","16.4992","0.0004","90","","90","","90","","4491.47","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0959","0.0849","","","0.2206","0.232","","","","","","1.135","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247773","17.164","0.0003","17.164","0.0003","17.164","0.0003","90","","90","","90","","5056.56","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C11.83 H25.33 Co N4 O3.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0897","0.0845","","","0.2227","0.239","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247774","17.1155","0.0002","17.1155","0.0002","17.1155","0.0002","90","","90","","90","","5013.82","0.1","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11 H19 Co N4 O1.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0317","0.0301","","","0.0809","0.0816","","","","","","1.136","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247775","16.9823","0.0004","16.9823","0.0004","16.9823","0.0004","90","","90","","90","","4897.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C12.5 H28 Co N4 O4.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0366","0.0363","","","0.1001","0.1003","","","","","","1.137","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247776","17.1651","0.0003","17.1651","0.0003","17.1651","0.0003","90","","90","","90","","5057.54","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.42 H31.67 Co N4 O5.42 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0679","0.0634","","","0.1727","0.1801","","","","","","1.141","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247777","16.8677","0.0005","16.8677","0.0005","16.8677","0.0005","90","","90","","90","","4799.2","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C12.83 H29.33 Co N4 O4.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.028","0.0278","","","0.0782","0.0783","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247778","16.923","0.0005","16.923","0.0005","16.923","0.0005","90","","90","","90","","4846.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.67 H21 Co N4 O1.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","1.54184","CuKα","","0.069","0.0584","","","0.1773","0.1899","","","","","","1.098","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247779","16.5684","0.0003","16.5684","0.0003","16.5684","0.0003","90","","90","","90","","4548.22","0.14","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0844","0.0796","","","0.2069","0.2121","","","","","","1.151","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247780","9.5711","0.0004","37.8741","0.0014","7.842","0.0003","90","","101.89","0.004","90","","2781.71","0.19","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3.87 H4.13 Cl0.13 F0.13 N0.52 O0.65 -","- C3.87097 H4.12903 Cl0.129032 F0.129032 N0.516129 O0.645161 -","- C120 H128 Cl4 F4 N16 O20 -","31","7.75","","Takkar, Priya; Singh, Bholey; Pani, Balaram; Kumar, Rakesh","Design, synthesis and in silico evaluation of newer 1,4-dihydropyridine based amlodipine bio-isosteres as promising antihypertensive agents","RSC Advances","2023","13","48","34239","34248","10.1039/D3RA06387A","","","0.71073","MoKα","","0.0603","0.0468","","","0.1233","0.1304","","","","","","1.087","","","","has coordinates","287751","2023-11-23","02:12:14",""
"7247781","22.2427","0.0013","5.4882","0.0004","29.653","0.002","90","","90.096","0.006","90","","3619.8","0.4","288","3","288","3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4''-dimethoxy-6'-(methylthio)-[1,1':4',1''-terphenyl]-2'-ol","4,4''-dimethoxy-6'-(methylthio)-[1,1':4',1''-terphenyl]-2'-ol","","- C2.471 H2.353 O0.353 S0.118 -","- C2.47059 H2.35294 O0.352941 S0.117647 -","- C168 H160 O24 S8 -","68","8.5","","Shaw, Ranjay; Prakash, Prasoon; Althagafi, Ismail; Giri, Nand Gopal; Pratap, Ramendra","1,3-Dianionic annulation of ketones with ketene dithioacetal: a modified route to 3-aryl/cyclopropyl-5-thiomethyl-phenols and 1-(methylthio)-9,10-dihydrophenanthren-3-ols","RSC Advances","2023","13","48","34299","34307","10.1039/D3RA05421G","","x-ray","0.71073","MoKα","","0.1103","0.0509","","","0.1128","0.1462","","","","","","0.9715","","","","has coordinates","287752","2023-11-23","02:13:02",""
"7247782","11.276","0.004","6.42","0.004","29.326","0.009","90","","96.45","0.03","90","","2109.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0352","0.0323","","","0.0813","0.0837","","","","","","1.029","","","","has coordinates","288799","2024-01-06","08:01:03",""
"7247783","16.953","0.006","6.359","0.003","20.573","0.006","90","","108.29","0.03","90","","2105.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0501","0.0443","","","0.1178","0.1222","","","","","","1.018","","","","has coordinates,has disorder","288799","2024-01-06","08:01:10",""
"7247792","7.4304","0.0001","16.7705","0.0003","22.5342","0.0003","90","","90","","90","","2808.02","0.07","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O4 P2 S2 -","- C30 H28 O4 P2 S2 -","- C120 H112 O16 P8 S8 -","4","1","","Ramazanova, Kyzgaldak; Chakrabortty, Soumyadeep; Müller, Bernd H.; Lönnecke, Peter; de Vries, Johannes G.; Hey-Hawkins, Evamarie","Synthesis of P-stereogenic 1-phosphanorbornane-derived phosphine–phosphite ligands and application in asymmetric catalysis","RSC Advances","2023","13","49","34439","34444","10.1039/D3RA07630J","","","0.71073","MoKα","","0.0458","0.036","","","0.0765","0.0813","","","","","","1.031","","","","has coordinates","287798","2023-11-25","02:09:26",""
"7247793","12.857","0.003","12.102","0.002","18.856","0.004","90","","104.22","0.03","90","","2844","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69.25 H68.05 Cl0.45 N6 -","- C69.174 H67.886 Cl0.42 N6 -","- C138.348 H135.772 Cl0.84 N12 -","2","0.5","","Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro","Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant","RSC Advances","2023","13","49","34520","34523","10.1039/D3RA06863C","","","0.62","Synchrotron","","0.0902","0.0749","","","0.2106","0.2234","","","","","","1.061","","","","has coordinates,has disorder","287799","2023-11-25","02:11:01",""
"7247794","11.156","0.002","12.563","0.003","17.063","0.003","90","","96.4","0.03","90","","2376.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 N6 O2 -","- C62 H52 N6 O2 -","- C124 H104 N12 O4 -","2","0.5","","Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro","Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant","RSC Advances","2023","13","49","34520","34523","10.1039/D3RA06863C","","","0.62","Synchrotron","","0.0466","0.0437","","","0.1255","0.1291","","","","","","1.043","","","","has coordinates","287799","2023-11-25","02:11:01",""
"7247795","61.463","0.012","13.878","0.003","39.531","0.008","90","","102.04","0.03","90","","32978","12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H59 Cl9 N6 -","- C43 H29 Cl3 N6 -","- C1376 H928 Cl96 N192 -","32","4","","Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro","Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant","RSC Advances","2023","13","49","34520","34523","10.1039/D3RA06863C","","","0.62","Synchrotron","","0.1763","0.0798","","","0.22","0.2767","","","","","","1.005","","","","has coordinates,has disorder","287799","2023-11-25","02:11:02",""
"7247800","15.8789","0.0013","10.783","0.0009","15.3311","0.0011","90","","110.401","0.002","90","","2460.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 I2 N5 O3 -","- C21 H25 I2 N5 O3 -","- C84 H100 I8 N20 O12 -","4","1","","Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed","Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction","RSC Advances","2023","13","49","34817","34825","10.1039/D3RA06477H","","x-ray","0.71073","MoKα","","0.1066","0.088","","","0.2703","0.2946","","","","","","1.071","","","","has coordinates","287874","2023-11-30","02:23:10",""
"7247801","9.507","0.0004","11.2651","0.0005","13.3444","0.0005","86.589","0.001","73.216","0.001","76.076","0.001","1327.99","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15.5 H12.5 Cl N2.5 O Pd0.5 -","- C15.5 H12.5 Cl N2.5 O Pd0.5 -","- C62 H50 Cl4 N10 O4 Pd2 -","4","2","","Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed","Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction","RSC Advances","2023","13","49","34817","34825","10.1039/D3RA06477H","","x-ray","0.71073","MoKα","","0.0783","0.0461","","","0.0855","0.1073","","","","","","1.086","","","","has coordinates","287874","2023-11-30","02:23:30",""
"7247802","9.2037","0.0004","11.6728","0.0005","14.0506","0.0006","91.744","0.001","101.92","0.002","109.87","0.001","1380.69","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Cl2 N5 O3 -","- C31 H29 Cl2 N5 O3 -","- C62 H58 Cl4 N10 O6 -","2","1","","Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed","Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction","RSC Advances","2023","13","49","34817","34825","10.1039/D3RA06477H","","x-ray","0.71073","MoKα","","0.1086","0.0956","","","0.2561","0.2773","","","","","","1.0674","","","","has coordinates","287874","2023-11-30","02:23:33",""
"7247814","10.3061","0.0001","8.9312","0.0001","16.601","0.0003","90","","95.428","0.001","90","","1521.2","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C31 H26 Cd2 N4 O11 -","- C31 H26 Cd2 N4 O11 -","- C62 H52 Cd4 N8 O22 -","2","0.5","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0248","0.0234","","","0.0606","0.0613","","","","","","1.0483","","","","has coordinates,has disorder","288015","2023-12-04","18:10:45",""
"7247815","11.0328","0.0001","17.1307","0.0002","19.2872","0.0002","90","","93.281","0.001","90","","3639.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H18 Cd N2 O8 -","- C15.5 H18 Cd N2 O8 -","- C124 H144 Cd8 N16 O64 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0246","0.0234","","","0.0629","0.0637","","","","","","1.0708","","","","has coordinates,has disorder","288015","2023-12-04","18:10:46",""
"7247816","27.3243","0.0002","10.2895","0.0001","17.8117","0.0002","90","","105.53","0.001","90","","4824.99","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cd N4 O8.5 -","- C23 H23 Cd N4 O8.5 -","- C184 H184 Cd8 N32 O68 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0579","0.0576","","","0.1448","0.1449","","","","","","0.9176","","","","has coordinates,has disorder","288015","2023-12-04","18:10:47",""
"7247817","10.0583","0.0002","10.1823","0.0002","20.6673","0.0003","97.263","0.002","94.133","0.001","119.439","0.002","1806.38","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd2 N4 O15 -","- C33 H38 Cd2 N4 O15 -","- C66 H76 Cd4 N8 O30 -","2","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0349","0.033","","","0.0898","0.0924","","","","","","1.045","","","","has coordinates","288015","2023-12-04","18:10:47",""
"7247818","12.2633","0.0015","6.5624","0.0008","11.4726","0.0014","90","","111.627","0.003","90","","858.28","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1545","0.0748","","","0.1681","0.2056","","","","","","1.012","","","","has coordinates","288016","2023-12-04","18:14:59",""
"7247819","11.429","0.004","6.597","0.002","11.395","0.004","90","","95.75","0.009","90","","854.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylic acid","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1119","0.0524","","","0.1074","0.1245","","","","","","1.037","","","","has coordinates","288016","2023-12-04","18:15:03",""
"7247820","26.692","0.007","15.981","0.004","19.803","0.005","90","","96.761","0.003","90","","8389","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 Ho2 N7 O37 -","- C74 H101 Co2 Ho2 N7 O37 -","- C296 H404 Co8 Ho8 N28 O148 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.7107","MoKα","","0.0517","0.0456","","","0.0897","0.093","","","","","","1.106","","","","has coordinates,has disorder","288017","2023-12-04","18:16:25",""
"7247821","26.7585","0.0007","16.0409","0.0005","19.8206","0.0006","90","","96.4","0.003","90","","8454.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 N7 O37 Yb2 -","- C74 H101 Co2 N7 O37 Yb2 -","- C296 H404 Co8 N28 O148 Yb8 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.71073","MoKα","","0.0561","0.0413","","","0.084","0.0946","","","","","","1.045","","","","has coordinates,has disorder","288017","2023-12-04","18:16:26",""
"7247830","9.0933","0.0012","16.561","0.003","19.628","0.004","90","","90","","90","","2955.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N2 O4 -","- C33 H36 N2 O4 -","- C132 H144 N8 O16 -","4","1","","Hernández-Vázquez, Eduardo; Martínez-Caballero, Siseth; Aldana-Torres, Diana; Estrada-Soto, Samuel; Nieto-Camacho, Antonio","Discovery of phenolic 2-arylidene-isoquinolinones with antioxidant and α-glucosidase inhibition dual action.","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00585B","","","1.54178","CuKα","","0.0596","0.0527","","","0.1418","0.1505","","","","","","1.073","","","","has coordinates,has disorder","288027","2023-12-05","00:57:32",""
"7247831","39.4459","0.0015","39.4459","0.0015","12.5093","0.0008","90","","90","","120","","16856.5","1.4","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H33 N3 O2 -","- C50 H33 N3 O2 -","- C900 H594 N54 O36 -","18","1","","Amiri, Kamran; Nayebzadeh, Behrouz; Kamangar, Mohammad; Babazadeh, Mohammad; Ariafard, Alireza; Shiri, Farshad; Rominger, Frank; Balalaie, Saeed","Synthesis of a fused N-bridged [3.3.1]nonadiquinoline multicyclic skeleton via a metal-free formal [4 + 2] cycloaddition/Mannich/dearomatization domino reaction","Green Chemistry","2023","25","22","9203","9208","10.1039/D3GC03026A","","","0.71073","MoKα","","0.1113","0.0526","","","0.1126","0.1369","","","","","","1.04","","","","has coordinates","288029","2023-12-05","04:10:14",""
"7247832","6.345","0.0006","7.2323","0.0007","10.5606","0.001","94.218","0.002","100.28","0.002","97.907","0.002","469.9","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H9 O11 -","- C4 H9 O11 -","- C8 H18 O22 -","2","1","","Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu","Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation","Green Chemistry","2023","25","23","9695","9704","10.1039/D3GC02365F","","","0.71073","MoKα","","0.0535","0.0461","","","0.1211","0.1274","","","","","","1.055","","","","has coordinates","288030","2023-12-05","04:12:00",""
"7247842","10.4827","0.0004","11.1537","0.0004","12.5636","0.0005","77.997","0.001","76.934","0.001","62.455","0.001","1259.59","0.08","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O8 -","- C30 H22 N2 O8 -","- C60 H44 N4 O16 -","2","1","","Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei","A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions","RSC Advances","2023","13","50","35617","35620","10.1039/D3RA07653A","","","0.71073","MoKα","","0.0584","0.0408","","","0.0932","0.105","","","","","","1.037","","","","has coordinates","288110","2023-12-07","02:14:01",""
"7247843","11.3722","0.0004","10.3911","0.0004","18.8309","0.0008","90","","96.105","0.002","90","","2212.62","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C104 H92 N4 O24 -","4","1","","Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei","A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions","RSC Advances","2023","13","50","35617","35620","10.1039/D3RA07653A","","","0.71073","MoKα","","0.0701","0.0441","","","0.1014","0.1213","","","","","","1.054","","","","has coordinates","288110","2023-12-07","02:14:02",""
"7247853","10.9638","0.0009","22.3683","0.0018","14.3096","0.0013","90","","102.531","0.008","90","","3425.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl (14Z,11Z,3E,8E)-6-butyl-11H,11H-14,17-dioxa-6-aza-1,11(4,1)-ditriazola-2,10(1,4)-dibenzenacyclononadecaphane-3,8-diene-4,8-dicarboxylate","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Saletti, Mario; Venditti, Jacopo; Paolino, Marco; Zacchei, Arianna; Giuliani, Germano; Giorgi, Gianluca; Bonechi, Claudia; Donati, Alessandro; Cappelli, Andrea","A tri(ethylene glycol)-tethered Morita–Baylis–Hillman dimer in the formation of macrocyclic crown ether-paracyclophane hybrid structures","RSC Advances","2023","13","51","35773","35780","10.1039/D3RA06792K","","x-ray","0.71073","MoKα","","0.2632","0.0822","","","0.0759","0.1019","","","","","","0.692","","","","has coordinates","288240","2023-12-12","02:18:53",""
"7247854","37.341","0.005","24.083","0.003","22.341","0.003","90","","125.295","0.002","90","","16398","4","170","","170","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C216 H236 Ag55 Cu8 I12 P S24 -","- C216 H236 Ag55 Cu8 I12 P S24 -","- C432 H472 Ag110 Cu16 I24 P2 S48 -","2","0.25","","Tang, Li; Han, Qikai; Wang, Bin; Yang, Zhonghua; Song, Chunyuan; Feng, Guanyu; Wang, Shuxin","Constructing perfect cubic Ag-Cu alloyed nanoclusters through selective elimination of phosphine ligands.","Physical chemistry chemical physics : PCCP","2023","26","1","62","66","10.1039/d3cp04224c","","","0.71073","MoKα","","0.1541","0.071","","","0.1992","0.2576","","","","","","0.925","","","","has coordinates,has disorder","289637","2024-02-04","12:30:52",""
"7247872","5.8558","0.0006","6.9698","0.0004","6.97","0.0003","63.53","0.005","87.994","0.008","69.991","0.008","236.93","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N4 Se2 -","- C8 H6 N4 Se2 -","- C8 H6 N4 Se2 -","1","0.5","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0403","0.0394","","","0.1123","0.1135","","","","","","1.156","","","","has coordinates","288336","2023-12-15","02:29:31",""
"7247873","5.6131","0.0001","5.3878","0.0001","23.1681","0.0004","90","","95.706","0.002","90","","697.18","0.02","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 Se2 -","- C12 H14 N4 Se2 -","- C24 H28 N8 Se4 -","2","0.5","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0296","0.028","","","0.0775","0.0787","","","","","","1.109","","","","has coordinates","288336","2023-12-15","02:29:32",""
"7247874","16.2906","0.0002","6.3136","0.0001","12.7839","0.0002","90","","90","","90","","1314.85","0.03","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 Se -","- C12 H14 N4 Se -","- C48 H56 N16 Se4 -","4","1","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0265","0.0245","","","0.0621","0.0637","","","","","","1.054","","","","has coordinates","288336","2023-12-15","02:29:32",""
"7711611","12.7669","0.0007","20.9991","0.0012","15.8721","0.0009","90","","106.583","0.002","90","","4078.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32.69 Cr F6 N10 O4.34 P -","- C40 H32.682 Cr F6 N10 O4.341 P -","- C160 H130.728 Cr4 F24 N40 O17.364 P4 -","4","1","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","1.54178","CuKα","","0.0369","0.0357","","","0.0979","0.0989","","","","","","1.039","","","","has coordinates","283327","2023-05-05","02:29:20",""
"7711612","8.968","0.0009","11.1217","0.0011","11.4442","0.0011","112.54","0.004","110.284","0.004","96.764","0.004","946.57","0.17","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C40 H32 Cr F6 N10 O4 P -","- C40 H32 Cr F6 N10 O4 P -","- C40 H32 Cr F6 N10 O4 P -","1","1","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","1.54178","CuKα","","0.0713","0.0709","","","0.1969","0.1981","","","","","","1.036","","","","has coordinates","283327","2023-05-05","02:29:22",""
"7711613","16.2168","0.0014","17.7781","0.0014","19.4572","0.0016","73.632","0.003","88.899","0.003","76.362","0.002","5223.8","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H50 Cl6 Cr F6 N14 P -","- C47 H50 Cl6 Cr F6 N14 P -","- C188 H200 Cl24 Cr4 F24 N56 P4 -","4","2","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","0.71073","MoKα","","0.1309","0.0816","","","0.198","0.2311","","","","","","1.04","","","","has coordinates,has disorder","283327","2023-05-05","02:29:24",""
"7711614","19.9874","0.0013","18.8599","0.0012","21.5414","0.0014","90","","102.64","0.002","90","","7923.5","0.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41.13 H37.51 Cr F6 N10 O1.63 P -","- C40.5 H35 Cr F6 N10 O P -","- C324 H280 Cr8 F48 N80 O8 P8 -","8","2","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","0.71073","MoKα","","0.1077","0.0597","","","0.133","0.1583","","","","","","1.023","","","","has coordinates,has disorder","283327","2023-05-05","02:29:34",""
"7711615","12.2442","0.0012","32.934","0.003","8.7564","0.0007","90","","90","","90","","3531","0.6","100","2","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H24 Cr F6 N10 P -","- C36 H24 Cr F6 N10 P -","- C144 H96 Cr4 F24 N40 P4 -","4","0.5","","Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei","The energy gap law for NIR-phosphorescent Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2561","2565","10.1039/d2dt02872g","","x-ray","1.54178","CuKα","","0.2018","0.1936","","","0.4354","0.4383","","","","","","1.179","","","","has coordinates","283327","2023-05-05","02:29:38",""
"7711711","13.1969","0.0003","23.5561","0.0007","5.9279","0.0002","90","","90","","90","","1842.79","0.09","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H16 Mo2 N4 O10 S -","- C10 H16 Mo2 N4 O10 S -","- C40 H64 Mo8 N16 O40 S4 -","4","0.5","","Lin, Rong-Yan; Deng, Lan; An, Dong-Li; Zhou, Zhao-Hui","Binuclear, tetranuclear and hexadecanuclear thio-oxomolybdenum(V/IV) glycolates with selective adsorptions of gases.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","562","571","10.1039/d2dt03324k","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0957","0.0973","","","","","","1.178","","","","has coordinates","283349","2023-05-05","02:42:43",""
"7711712","6.8529","0.0003","10.7593","0.0004","14.1435","0.0006","74.526","0.003","85.918","0.003","89.947","0.003","1002.31","0.07","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Mo2 N3 O9 S2 -","- C14 H17 Mo2 N3 O9 S2 -","- C28 H34 Mo4 N6 O18 S4 -","2","1","","Lin, Rong-Yan; Deng, Lan; An, Dong-Li; Zhou, Zhao-Hui","Binuclear, tetranuclear and hexadecanuclear thio-oxomolybdenum(V/IV) glycolates with selective adsorptions of gases.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","562","571","10.1039/d2dt03324k","","x-ray","1.54184","CuKα","","0.0806","0.0598","","","0.1808","0.2167","","","","","","1.141","","","","has coordinates","283349","2023-05-05","02:42:46",""
"7711713","11.1684","0.0002","11.2139","0.0002","11.8751","0.0002","104.928","0.001","103.841","0.001","98.245","0.001","1361.6","0.04","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Mo4 N12 O18 S6 -","- C44 H44 Mo4 N12 O18 S6 -","- C44 H44 Mo4 N12 O18 S6 -","1","0.5","","Lin, Rong-Yan; Deng, Lan; An, Dong-Li; Zhou, Zhao-Hui","Binuclear, tetranuclear and hexadecanuclear thio-oxomolybdenum(V/IV) glycolates with selective adsorptions of gases.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","562","571","10.1039/d2dt03324k","","x-ray","1.54184","CuKα","","0.0469","0.0461","","","0.1098","0.1103","","","","","","1.045","","","","has coordinates","283349","2023-05-05","02:42:55",""
"7711714","43.6195","0.0007","13.7952","0.0001","20.6277","0.0003","90","","121.411","0.002","90","","10593.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Mo16 N24 Na2 O46 -","- C44 H50 Mo16 N24 Na2 O46 -","- C176 H200 Mo64 N96 Na8 O184 -","4","0.5","","Lin, Rong-Yan; Deng, Lan; An, Dong-Li; Zhou, Zhao-Hui","Binuclear, tetranuclear and hexadecanuclear thio-oxomolybdenum(V/IV) glycolates with selective adsorptions of gases.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","562","571","10.1039/d2dt03324k","","x-ray","1.54184","CuKα","","0.0584","0.0469","","","0.1243","0.1322","","","","","","1.044","","","","has coordinates","283349","2023-05-05","02:42:57",""
"7711795","13.302","0.005","20.676","0.005","28.534","0.005","90","","97.621","0.005","90","","7778","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H206 Cl12 N18 Ni4 -","- C168 H206 Cl12 N18 Ni4 -","- C336 H412 Cl24 N36 Ni8 -","2","0.5","","Pandit, Younis Ahmad; Usman, Mohammad; Sarkar, Anindya; Shah, Syed Jehanger; Rath, Sankar Prasad","Control of spin coupling through a redox-active bridge in a dinickel(II) porphyrin dimer: step-wise oxidations enable isolations of a chlorin-porphyrin heterodimer and a dication diradical with a singlet ground state.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","877","891","10.1039/d2dt03283j","","","0.71069","MoKα","","0.1045","0.0738","","","0.1927","0.2223","","","","","","1.045","","","","has coordinates,has disorder","283281","2023-05-05","01:59:50",""
"7711796","11.611","0.005","16.277","0.005","25.683","0.005","78.362","0.005","80.479","0.005","69.654","0.005","4433","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H101 Cl10 Fe2 N9 Ni2 -","- C82 H99 Cl8 Fe2 N9 Ni2 -","- C164 H198 Cl16 Fe4 N18 Ni4 -","2","1","","Pandit, Younis Ahmad; Usman, Mohammad; Sarkar, Anindya; Shah, Syed Jehanger; Rath, Sankar Prasad","Control of spin coupling through a redox-active bridge in a dinickel(II) porphyrin dimer: step-wise oxidations enable isolations of a chlorin-porphyrin heterodimer and a dication diradical with a singlet ground state.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","877","891","10.1039/d2dt03283j","","","0.71069","MoKα","","0.1941","0.104","","","0.1838","0.222","","","","","","1.027","","","","has coordinates,has disorder","283281","2023-05-05","02:00:00",""
"7711805","8.6367","0.0005","12.0291","0.0007","13.251","0.0007","90","","109.015","0.002","90","","1301.55","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium Iron silver sulphur (4-1-1-6)","","- Ag Ba4 Fe S6 -","- Ag Ba4 Fe S6 -","- Ag4 Ba16 Fe4 S24 -","4","1","","Panigrahi, Gopabandhu; Yadav, Sweta; Jana, Subhendu; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai","Ba<sub>4</sub>FeAgS<sub>6</sub>: a new antiferromagnetic and semiconducting quaternary sulfide.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","621","634","10.1039/d2dt03209k","","","0.71073","MoKα","","0.0161","0.0155","","","0.0341","0.0343","","","","","","1.098","","","","has coordinates","283341","2023-05-05","02:40:23",""
"7711848","7.814","0.002","11.098","0.003","12.616","0.004","98.42","0.05","105.98","0.05","107.55","0.05","970.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cu N4 O8 -","- C17 H22 Cu N4 O8 -","- C34 H44 Cu2 N8 O16 -","2","1","","Heydari, Neda; Bikas, Rahman; Siczek, Milosz; Lis, Tadeusz","Green carbon-carbon homocoupling of terminal alkynes by a silica supported Cu(II)-hydrazone coordination compound.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","421","433","10.1039/d2dt03054c","","","0.71073","MoKα","","0.0628","0.056","","","0.1481","0.1583","","","","","","1.065","","","","has coordinates","283287","2023-05-05","02:07:32",""
"7711849","11.608","0.003","17.84","0.004","11.947","0.003","90","","118.47","0.04","90","","2174.9","1.2","100","3","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C96 H132 O12 -","6","1.5","","Heydari, Neda; Bikas, Rahman; Siczek, Milosz; Lis, Tadeusz","Green carbon-carbon homocoupling of terminal alkynes by a silica supported Cu(II)-hydrazone coordination compound.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","421","433","10.1039/d2dt03054c","","","0.71073","MoKα","","0.0631","0.0527","","","0.1362","0.1475","","","","","","1.048","","","","has coordinates","283287","2023-05-05","02:07:43",""
"7711858","34.294","0.002","7.2986","0.0006","15.2539","0.0013","90","","110.932","0.002","90","","3566.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 Cd N6 O10 -","- C42 H24 Cd N6 O10 -","- C168 H96 Cd4 N24 O40 -","4","0.5","","Zhang, Shimin; Yu, Weiyu; Hao, Pengfei; Li, Gaopeng; Shen, Junju; Fu, Yunlong","The modulation effect of auxiliary ligands on photochromic properties of 3D naphthalene diimide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","360","365","10.1039/d2dt03480h","","","0.71073","MoKα","","0.0873","0.0485","","","0.0996","0.1122","","","","","","1.055","","","","has coordinates","283286","2023-05-05","02:06:44",""
"7711859","17.3232","0.0019","28.428","0.003","18.805","0.003","90","","112.765","0.003","90","","8539.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 Cd N6 O10 -","- C40 H22 Cd N6 O10 -","- C320 H176 Cd8 N48 O80 -","8","1","","Zhang, Shimin; Yu, Weiyu; Hao, Pengfei; Li, Gaopeng; Shen, Junju; Fu, Yunlong","The modulation effect of auxiliary ligands on photochromic properties of 3D naphthalene diimide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","360","365","10.1039/d2dt03480h","","","0.71073","MoKα","","0.1398","0.0792","","","0.2375","0.2693","","","","","","1.047","","","","has coordinates","283286","2023-05-05","02:06:57",""
"7711868","15.6216","0.0009","9.9838","0.0005","16.1858","0.0009","90","","113.984","0.002","90","","2306.4","0.2","281","","281","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","HL","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Wang, Dan; Shao, Tian-Fen; Ding, Wei-Hua; Li, Shao-Jie; Yao, Qi; Cao, Wei; Wang, Zheng; Ma, Yangmin","AIE -active TPA modified Schiff base for successive sensing of Cu<sup>2+</sup> and His <i>via</i> an on-off-on method and its application in bioimaging.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","434","443","10.1039/d2dt03457c","","","0.71073","MoKα","","0.0899","0.0613","","","0.1613","0.1809","","","","","","1.045","","","","has coordinates","283289","2023-05-05","02:08:24",""
"7711869","11.9862","0.001","14.4619","0.0013","15.5093","0.0013","85.024","0.002","72.211","0.002","74.526","0.002","2467.1","0.4","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","ZnL2","","- C60 H44 N6 O2 Zn -","- C60 H44 N6 O2 Zn -","- C120 H88 N12 O4 Zn2 -","2","1","","Wang, Dan; Shao, Tian-Fen; Ding, Wei-Hua; Li, Shao-Jie; Yao, Qi; Cao, Wei; Wang, Zheng; Ma, Yangmin","AIE -active TPA modified Schiff base for successive sensing of Cu<sup>2+</sup> and His <i>via</i> an on-off-on method and its application in bioimaging.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","434","443","10.1039/d2dt03457c","","","0.71073","MoKα","","0.0615","0.0482","","","0.1218","0.134","","","","","","1.055","","","","has coordinates,has disorder","283289","2023-05-05","02:08:27",""
"7711870","10.1318","0.0003","10.4983","0.0003","10.9116","0.0003","105.487","0.001","97.622","0.001","99.918","0.001","1082.09","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Cd N6 O6 S2 -","- C18 H8 Cd N6 O6 S2 -","- C36 H16 Cd2 N12 O12 S4 -","2","1","","Cao, Xiao-Qin; Wu, Wei-Peng; Li, Qiang; Zheng, Teng-Fei; Chen, Yong-Qiang; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Selective recognition of Hg<sup>2+</sup> ions in aqueous solution by a Cd<sup>II</sup>-based metal-organic framework with good stability and vacant coordination sites.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","652","658","10.1039/d2dt03386k","","","0.71073","MoKα","","0.0382","0.0357","","","0.1074","0.1099","","","","","","1.086","","","","has coordinates","283351","2023-05-05","02:43:22",""
"7711871","10.1783","0.0005","10.5304","0.0004","10.9027","0.0005","72.66","0.002","73.038","0.002","73.118","0.002","1040.11","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Cl Cu N4 O2 -","- C23 H19 Cl Cu N4 O2 -","- C46 H38 Cl2 Cu2 N8 O4 -","2","1","","Monika, ?; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi; Adhikari, Sanjay","Bio-inspired Cu(II) amido-quinoline complexes as catalysts for aromatic C-H bond hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","540","545","10.1039/d2dt03242b","","","0.71073","MoKα","","0.03","0.0263","","","0.0705","0.0734","","","","","","1.094","","","","has coordinates","283345","2023-05-05","02:41:14",""
"7711872","7.7535","0.0008","10.054","0.001","28.075","0.003","90","","97.94","","90","","2167.6","0.4","299","2","299.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu N4 O4 -","- C24 H24 Cu N4 O4 -","- C96 H96 Cu4 N16 O16 -","4","1","","Monika, ?; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi; Adhikari, Sanjay","Bio-inspired Cu(II) amido-quinoline complexes as catalysts for aromatic C-H bond hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","540","545","10.1039/d2dt03242b","","","0.71073","MoKα","","0.0687","0.0502","","","0.1288","0.149","","","","","","1.041","","","","has coordinates","283345","2023-05-05","02:41:14",""
"7711873","7.2592","0.0002","13.9102","0.0004","17.9303","0.0005","91.64","0.001","90.933","0.001","95.743","0.001","1800.39","0.09","297","2","297.12","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N10 O6 -","- C42 H34 Cu2 N10 O6 -","- C84 H68 Cu4 N20 O12 -","2","1","","Monika, ?; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi; Adhikari, Sanjay","Bio-inspired Cu(II) amido-quinoline complexes as catalysts for aromatic C-H bond hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","540","545","10.1039/d2dt03242b","","","0.71073","MoKα","","0.0354","0.0315","","","0.0802","0.0828","","","","","","1.061","","","","has coordinates","283345","2023-05-05","02:41:14",""
"7711875","4.6802","0.0007","15.507","0.002","12.8345","0.0017","90","","93.757","0.005","90","","929.5","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cd0.5 N O4 -","- C11 H7 Cd0.5 N O4 -","- C44 H28 Cd2 N4 O16 -","4","1","","Gao, Kexin; Chen, Junshuai; Zhao, Mengting; Hu, Rentang; Chen, Shiheng; Xue, Xiaojing; Shao, Zhichao; Hou, Hongwei","3D nanocrystalline metal-organic framework materials for the improved output performance of triboelectric nanogenerators.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","444","451","10.1039/d2dt03477h","","","0.71073","MoKα","","0.06","0.0398","","","0.0999","0.1091","","","","","","1.0764","","","","has coordinates","283288","2023-05-05","02:08:12",""
"7711876","10.134","0.0012","18.628","0.002","20.622","0.002","75.284","0.004","85.701","0.004","83.585","0.004","3737.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H90 F12 Ir2 O2 P4 -","- C77 H90 F12 Ir2 O2 P4 -","- C154 H180 F24 Ir4 O4 P8 -","2","1","","Talavera, Maria; Pereira-Cameselle, Raquel; Peña-Gallego, Ángeles; Vázquez-Carballo, Irene; Prieto, Inmaculada; Alonso-Gómez, J Lorenzo; Bolaño, Sandra","Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","487","493","10.1039/d2dt03465d","","","0.71073","MoKα","","0.0736","0.0594","","","0.119","0.1246","","","","","","1.122","","","","has coordinates,has disorder","283294","2023-05-05","02:13:30",""
"7711877","11.9712","0.0007","16.5219","0.001","18.1008","0.0009","95.576","0.002","107.732","0.002","111.124","0.002","3093.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H77 F6 Ir O2 P2 -","- C67 H77 F6 Ir O2 P2 -","- C134 H154 F12 Ir2 O4 P4 -","2","1","","Talavera, Maria; Pereira-Cameselle, Raquel; Peña-Gallego, Ángeles; Vázquez-Carballo, Irene; Prieto, Inmaculada; Alonso-Gómez, J Lorenzo; Bolaño, Sandra","Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","487","493","10.1039/d2dt03465d","","","0.71073","MoKα","","0.0382","0.0364","","","0.0928","0.0937","","","","","","1.134","","","","has coordinates,has disorder","283294","2023-05-05","02:13:31",""
"7711878","7.1554","0.0003","13.3631","0.0005","16.2296","0.0006","90","","100.69","0.004","90","","1524.92","0.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Cl2 In N4 O S -","- C10 H15 Cl2 In N4 O S -","- C40 H60 Cl8 In4 N16 O4 S4 -","4","1","","Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng","Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","269","280","10.1039/d2dt03374g","","x-ray","0.71073","MoKα","","0.0404","0.0296","","","0.0656","0.0702","","","","","","1.064","","","","has coordinates","283293","2023-05-05","02:12:02",""
"7711879","8.8088","0.0002","8.9236","0.0002","10.4075","0.0002","66.806","0.002","84.288","0.002","75.692","0.002","728.65","0.03","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 Cl2 In N4 S -","- C10 H13 Cl2 In N4 S -","- C20 H26 Cl4 In2 N8 S2 -","2","1","","Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng","Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","269","280","10.1039/d2dt03374g","","x-ray","0.71073","MoKα","","0.0199","0.0185","","","0.0461","0.0469","","","","","","1.039","","","","has coordinates","283293","2023-05-05","02:12:16",""
"7711880","9.2963","0.0004","13.7922","0.0006","10.8317","0.0005","90","","100.011","0.004","90","","1367.66","0.11","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl2 In N4 S -","- C9 H11 Cl2 In N4 S -","- C36 H44 Cl8 In4 N16 S4 -","4","1","","Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng","Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","269","280","10.1039/d2dt03374g","","","0.71073","MoKα","","0.0515","0.0356","","","0.0804","0.0879","","","","","","1.047","","","","has coordinates","283293","2023-05-05","02:12:28",""
"7711881","7.4956","0.0003","8.4579","0.0004","13.7053","0.0008","103.089","0.004","97.971","0.004","94.566","0.004","832.56","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl2 In N4 S -","- C14 H13 Cl2 In N4 S -","- C28 H26 Cl4 In2 N8 S2 -","2","1","","Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng","Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","269","280","10.1039/d2dt03374g","","x-ray","0.71073","MoKα","","0.0422","0.0305","","","0.064","0.0696","","","","","","1.011","","","","has coordinates","283293","2023-05-05","02:12:46",""
"7711882","8.5919","0.0004","12.4526","0.0006","15.0859","0.001","90","","90.635","0.006","90","","1613.96","0.15","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl2 In N4 S -","- C12 H15 Cl2 In N4 S -","- C48 H60 Cl8 In4 N16 S4 -","4","1","","Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng","Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","269","280","10.1039/d2dt03374g","","x-ray","0.71073","MoKα","","0.0911","0.043","","","0.0515","0.0605","","","","","","0.867","","","","has coordinates","283293","2023-05-05","02:12:58",""
"7711887","8.655","0.005","12.892","0.007","14.631","0.008","90","","92.845","0.017","90","","1630.5","1.6","99.96","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.33 H4.22 Cl0.44 Fe0.22 N0.67 -","- C3.33333 H4.22222 Cl0.444444 Fe0.222222 N0.666667 -","- C60 H76 Cl8 Fe4 N12 -","18","4.5","","Bera, Abhijit; Sheet, Debobrata; Paine, Tapan Kanti","Iron(II)-α-keto acid complexes of tridentate ligands on gold nanoparticles: the effect of ligand geometry and immobilization on their dioxygen-dependent reactivity.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1062","1073","10.1039/d2dt02433k","","","0.71073","MoKα","","0.1251","0.1054","","","0.2614","0.2758","","","","","","1.079","","","","has coordinates","283270","2023-05-05","01:54:17",""
"7711888","12.0433","0.0006","8.8","0.0004","21.8652","0.0012","90","","105.985","0.001","90","","2227.7","0.19","109.94","","109.94","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H88 Cl8 Fe4 N12 O4 -","- C80 H88 Cl8 Fe4 N12 O4 -","- C80 H88 Cl8 Fe4 N12 O4 -","1","0.25","","Bera, Abhijit; Sheet, Debobrata; Paine, Tapan Kanti","Iron(II)-α-keto acid complexes of tridentate ligands on gold nanoparticles: the effect of ligand geometry and immobilization on their dioxygen-dependent reactivity.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1062","1073","10.1039/d2dt02433k","","","0.71073","MoKα","","0.0417","0.0324","","","0.0735","0.0808","","","","","","1.05","","","","has coordinates","283270","2023-05-05","01:54:28",""
"7711889","21.03531","0.00017","20.26378","0.00016","18.4541","0.00017","90","","93.2609","0.0008","90","","7853.41","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H21 B F20 W Zr -","- C44 H21 B F20 W Zr -","- C352 H168 B8 F160 W8 Zr8 -","8","2","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","x-ray","0.71073","MoKα","","0.0354","0.028","","","0.067","0.0697","","","","","","1.042","","","","has coordinates","283285","2023-05-05","02:05:21",""
"7711890","14.7488","0.0006","17.4771","0.0006","18.3105","0.0007","90","","106.64","0.001","90","","4522.2","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 B F20 N W Zr -","- C51 H30 B F20 N W Zr -","- C204 H120 B4 F80 N4 W4 Zr4 -","4","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","","0.71073","Mo-Ka","","0.0197","0.0191","","","0.049","0.0494","","","","","","1.05","","","","has coordinates","283285","2023-05-05","02:05:31",""
"7711891","14.85184","0.00019","8.23727","0.00011","19.394","0.0002","90","","96.9574","0.0012","90","","2355.16","0.05","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C54 H31 B F20 W1.02 Zr2.04 -","- C54 H31 B F20 W1.0181 Zr2.0362 -","- C108 H62 B2 F40 W2.0362 Zr4.0724 -","2","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","x-ray","0.71075","MoKα","","0.0186","0.0181","","","0.0432","0.0434","","","","","","1.042","","","","has coordinates,has disorder","283285","2023-05-05","02:05:34",""
"7711892","16.6914","0.0018","17.9195","0.0019","18.449","0.002","98.483","0.003","107.679","0.003","115.933","0.003","4467.9","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H60 B2 F40 P2 W2 Zr2 -","- C94 H60 B2 F40 P2 W2 Zr2 -","- C188 H120 B4 F80 P4 W4 Zr4 -","2","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","","0.71073","Mo-Ka","","0.0278","0.0264","","","0.0619","0.0626","","","","","","1.056","","","","has coordinates","283285","2023-05-05","02:05:46",""
"7711893","9.48527","0.00008","22.02675","0.00015","10.72318","0.0001","90","","116.046","0.0011","90","","2012.86","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H36 B F15 W Zr -","- C46 H36 B F15 W Zr -","- C92 H72 B2 F30 W2 Zr2 -","2","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","x-ray","0.71073","MoKα","","0.0121","0.012","","","0.0289","0.029","","","","","","1.05","","","","has coordinates","283285","2023-05-05","02:05:50",""
"7711894","9.4755","0.0001","17.8277","0.0002","24.953","0.0002","90","","93.234","0.001","90","","4208.51","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 B F15 W Zr -","- C50 H32 B F15 W Zr -","- C200 H128 B4 F60 W4 Zr4 -","4","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","x-ray","0.71073","MoKα","","0.0183","0.0165","","","0.0361","0.0365","","","","","","1.033","","","","has coordinates","283285","2023-05-05","02:06:01",""
"7711895","12.8417","0.0005","22.0759","0.0008","11.0925","0.0004","90","","115.257","0.001","90","","2844.02","0.18","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","Carbonyl-eta2 ethyne-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-trifluormethanesulfonato-tungsten(II)","","- C22.5 H31 B Cl F3 N6 O4 S W -","- C22.5 H31 B Cl F3 N6 O4 S W -","- C90 H124 B4 Cl4 F12 N24 O16 S4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0298","0.0208","","","0.0408","0.0432","","","","","","1.017","","","","has coordinates,has disorder","283291","2023-05-05","02:11:07",""
"7711896","11.0623","0.0009","17.6935","0.0017","19.5062","0.0019","90","","90","","90","","3818","0.6","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Carbonyl-eta2-diphenylphosphanylethyne-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-thiophenolato-tungsten(II)","","- C39 H44 B N6 O P S W -","- C39 H44 B N6 O P S W -","- C156 H176 B4 N24 O4 P4 S4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0465","0.0369","","","0.0694","0.0725","","","","","","1.083","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711897","13.5408","0.0011","13.7166","0.0011","16.4682","0.0012","92.352","0.004","92.815","0.004","119.24","0.004","2658.3","0.4","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","Carbonyl-cyanido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II) {μ-η2-κ2-bis(diphenylphosphanylethyne)}-palladiumdichloride","","- C48.8 H52.6 B Cl2.6 N8 O P2 Pd W -","- C48 H51 B Cl2 N8 O P2 Pd W -","- C96 H102 B2 Cl4 N16 O2 P4 Pd2 W2 -","2","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0572","0.0379","","","0.0846","0.0951","","","","","","0.929","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711898","11.5877","0.001","13.9252","0.0012","16.8414","0.0015","86.448","0.004","78.987","0.004","68.149","0.004","2475.7","0.4","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","η2-{bis(diphenylphosphanyl)ethyne}-carbonyl-fluorido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C47 H50 B Cl6 F N6 O P2 W -","- C45 H48 B F N6 O P2 W -","- C90 H96 B2 F2 N12 O2 P4 W2 -","2","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0424","0.0319","","","0.0721","0.076","","","","","","1.027","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7711899","15.3742","0.0016","16.4883","0.0018","21.753","0.002","90","","91.629","0.003","90","","5512","1","123","2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","Carbonyl-bromido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II) {μ-η2-κ2-bis(diphenylphosphanylethyne)}-palladiumdichloride","","- C48 H54 B Br Cl8 N6 O P2 Pd W -","- C48 H54 B Br Cl8 N6 O P2 Pd W -","- C192 H216 B4 Br4 Cl32 N24 O4 P8 Pd4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0518","0.0318","","","0.0671","0.0757","","","","","","1.052","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711900","16.5493","0.0005","10.3618","0.0002","22.0549","0.0006","90","","90","","90","","3781.99","0.17","123","2","123","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","η2-{Bis(diphenylphosphanyl)ethyne}-bromido-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C38 H51 B Br N6 O P W -","- C33 H39 B Br N6 O P W -","- C132 H156 B4 Br4 N24 O4 P4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0502","0.0346","","","0.0636","0.0676","","","","","","1.001","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711901","13.4082","0.0013","13.677","0.0013","16.9058","0.0016","100.82","0.003","94.524","0.004","113.869","0.003","2743","0.5","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","η2-{bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-2-pyridinemethanethiolato-tungsten(II)","","- C51 H54 B Cl2 N7 O P2 S W -","- C51 H54 B N7 O P2 S W -","- C102 H108 B2 N14 O2 P4 S2 W2 -","2","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0596","0.0396","","","0.0821","0.0895","","","","","","1.029","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711902","13.1334","0.0006","19.3491","0.0008","19.7","0.0008","90","","99.355","0.002","90","","4939.6","0.4","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","η2-{bis(diphenylphosphanyl)ethyne}-carbonyl-chlorido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C49.57 H58.93 B Cl1.22 N6 O P2 W -","- C49.572 H58.93 B Cl1.214 N6 O P2 W -","- C198.288 H235.72 B4 Cl4.856 N24 O4 P8 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0339","0.0251","","","0.0577","0.0627","","","","","","1.093","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7711903","13.1304","0.0004","19.4822","0.0006","19.7195","0.0006","90","","99.166","0.001","90","","4980","0.3","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","η2-{Bis(diphenylphosphanyl)ethyne}-bromido-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C50 H60 B Br N6 O P2 W -","- C45 H48 B Br N6 O P2 W -","- C180 H192 B4 Br4 N24 O4 P8 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0246","0.0189","","","0.0416","0.0434","","","","","","1.079","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7711904","9.0234","0.0008","10.1907","0.0009","19.5548","0.0018","88.57","0.004","77.444","0.005","69.035","0.004","1636.2","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","Carbonyl-eta2-diphenylphosphanylethyne-fluorido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C33 H39 B F N6 O1.03 P W -","- C33 H39 B F N6 O1.033 P W -","- C66 H78 B2 F2 N12 O2.066 P2 W2 -","2","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0445","0.0355","","","0.0798","0.0836","","","","","","1.044","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711905","16.46","0.003","10.3892","0.0018","22.022","0.004","90","","90","","90","","3765.9","1.2","123","2","123","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","Carbonyl-chlorido-η2-diphenylphosphanylethyne-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C37 H47 B Cl9 N6 O P W -","- C33 H39 B Cl N6 O P W -","- C132 H156 B4 Cl4 N24 O4 P4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0273","0.0236","","","0.0599","0.0613","","","","","","1.056","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711906","10.7634","0.0005","15.6372","0.0008","17.1562","0.0009","81.843","0.002","86.429","0.002","81.767","0.002","2826.3","0.2","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","η2-{Bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-pyridine-tungsten(II)-trifuoromethanesulfonate","","- C52.91 H56.81 B Cl3.82 F3 N7 O4.05 P2 S W -","- C52.912 H56.824 B Cl3.824 F3 N7 O4.05 P2 S W -","- C105.824 H113.648 B2 Cl7.648 F6 N14 O8.1 P4 S2 W2 -","2","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0456","0.0303","","","0.0525","0.056","","","","","","1.043","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7711907","12.762","0.0007","15.7369","0.001","27.1915","0.0016","90","","100.596","0.002","90","","5367.9","0.6","123","2","123","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","Carbonyl-bromido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II){μ-η2-κ1-κ1-bis(diphenylphosphanylethyne)}]-diiodidopalladium(II)","","- C47 H52 B Br Cl4 I2 N6 O P2 Pd W -","- C47 H52 B Br Cl4 I2 N6 O P2 Pd W -","- C188 H208 B4 Br4 Cl16 I8 N24 O4 P8 Pd4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0507","0.0331","","","0.0672","0.0736","","","","","","1.032","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711908","12.9737","0.0006","20.073","0.0008","18.6793","0.0009","90","","92.342","0.002","90","","4860.4","0.4","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Acetonitril-η2-{bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)-trifuoromethanesulfonate","","- C48 H51 B F3 N7 O4 P2 S W -","- C48 H51 B F3 N7 O4 P2 S W -","- C192 H204 B4 F12 N28 O16 P8 S4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0581","0.0355","","","0.0568","0.062","","","","","","1.057","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7711909","15.1651","0.0009","21.3862","0.0012","25.7029","0.0016","98.383","0.003","104.409","0.004","93.786","0.003","7941.9","0.8","123","2","123","2","","","","","","","","9","P 1","P 1","1","","η2-{Bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-κ1-trifluoromethansulfonate-tungsten(II)","","- C53 H62.67 B F3 N6 O5.49 P2 S W -","- C46 H48 B F3 N6 O4.15267 P2 S W -","- C276 H288 B6 F18 N36 O24.916 P12 S6 W6 -","6","6","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0598","0.0419","","","0.0813","0.0888","","","","","","0.985","","","","has coordinates,has disorder","283291","2023-05-05","02:11:08",""
"7711910","6.427","0.003","11.81","0.006","11.813","0.005","66.719","0.009","81.4","0.009","76.197","0.011","798.3","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","AB161","","","- C9 H12 B Cl F4 Hg N4 S2 -","- C9 H12 B Cl F4 Hg N4 S2 -","- C18 H24 B2 Cl2 F8 Hg2 N8 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Hoveizi, Elham; Naseri, Nadieh; Mayer, Peter; Centore, Roberto","New Hg(II) coordination polymers based on a thioimidazole ligand with good performance to detoxify Hg(II) and reversibly capture iodine.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","683","695","10.1039/d2dt03057h","","","0.71073","MoKα","","0.0302","0.0261","","","0.0581","0.0606","","","","","","1.063","","","","has coordinates,has disorder","283348","2023-05-05","02:42:22",""
"7711911","6.4268","0.0012","11.856","0.002","11.961","0.002","66.129","0.007","76.319","0.006","80.674","0.006","807.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","AB168-2","","","- C9 H12 Cl2 Hg N4 O4 S2 -","- C9 H12 Cl2 Hg N4 O4 S2 -","- C18 H24 Cl4 Hg2 N8 O8 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Hoveizi, Elham; Naseri, Nadieh; Mayer, Peter; Centore, Roberto","New Hg(II) coordination polymers based on a thioimidazole ligand with good performance to detoxify Hg(II) and reversibly capture iodine.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","683","695","10.1039/d2dt03057h","","","0.71073","MoKα","","0.0673","0.0536","","","0.1079","0.1137","","","","","","1.04","","","","has coordinates","283348","2023-05-05","02:42:26",""
"7711912","14.1931","0.0011","8.7482","0.0007","13.6781","0.0011","90","","101.975","0.003","90","","1661.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AB180","","","- C11 H12 Hg N6 S4 -","- C11 H12 Hg N6 S4 -","- C44 H48 Hg4 N24 S16 -","4","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Hoveizi, Elham; Naseri, Nadieh; Mayer, Peter; Centore, Roberto","New Hg(II) coordination polymers based on a thioimidazole ligand with good performance to detoxify Hg(II) and reversibly capture iodine.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","683","695","10.1039/d2dt03057h","","","0.71073","MoKα","","0.0187","0.0159","","","0.0338","0.0347","","","","","","1.058","","","","has coordinates","283348","2023-05-05","02:42:26",""
"7711913","24.5485","0.0003","12.5952","0.0001","18.3397","0.0002","90","","104.249","0.001","90","","5496.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Eu N4 O15 Zn -","- C25 H23 Eu N4 O15 Zn -","- C200 H184 Eu8 N32 O120 Zn8 -","8","1","","Li, Dechao; Jia, Yuejiao; Li, Zhang; Liu, Lu; Wu, Nan; Hu, Ming","Identification of folic acid and sulfaquinoxaline using a heterometallic Zn-Eu MOF as a sensor.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","696","702","10.1039/d2dt03446h","","x-ray","1.54184","CuKα","","0.0219","0.0208","","","0.055","0.0556","","","","","","1.0412","","","","has coordinates","283350","2023-05-05","02:43:13",""
"7711914","16.376","0.002","16.376","0.002","25.646","0.005","90","","90","","120","","5956.2","1.6","100","2","100","2","","","","","","","","9","P 63","P 6c","173","","","","- C36 H130 Cl0.5 Fe3 N9 Na0.5 O88 P2 W15 -","- C15.6 Fe3 N4.2 Na0.5001 O72.05 P2 W15 -","- C31.2 Fe6 N8.4 Na1.0002 O144.1 P4 W30 -","2","0.333333","","Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul","Tris-decorated multi-iron polyoxotungstates.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","546","550","10.1039/d2dt02922g","","","0.71073","MoKα","","0.1213","0.0835","","","0.2255","0.2641","","","","","","1.012","","","","has coordinates,has disorder","283343","2023-05-05","02:40:46",""
"7711915","15.158","0.003","23.486","0.005","30.191","0.006","90","","94.36","0.03","90","","10717","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H248 Cl Fe6 N18 Na O188 P4 W30 -","- C19 H32.5 Fe6 N4.75 Na O135.75 P4 W30 -","- C38 H65 Fe12 N9.5 Na2 O271.5 P8 W60 -","2","0.5","","Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul","Tris-decorated multi-iron polyoxotungstates.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","546","550","10.1039/d2dt02922g","","","0.71073","MoKα","","0.0797","0.0539","","","0.1353","0.1447","","","","","","1.007","","","","has coordinates,has disorder","283343","2023-05-05","02:40:47",""
"7711916","6.0777","0.0001","22.5621","0.0005","22.9459","0.0006","90","","90","","90","","3146.47","0.12","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N6 O3 Re -","- C15 H11 N6 O3 Re -","- C120 H88 N48 O24 Re8 -","8","1","","Thanasekaran, Pounraj; Huang, Jui-Hsiang; Jhou, Cing-Rou; Tsao, Hsiang-Chun; Mendiratta, Shruti; Su, Cing-Huei; Liu, Ching-Ping; Liu, Yen-Hsiang; Huang, Jui-Hsien; Lu, Kuang-Lieh","A neutral mononuclear rhenium(I) complex with a rare <i>in situ</i>-generated triazolyl ligand for the luminescence ""turn-on"" detection of histidine.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","703","709","10.1039/d2dt03705j","","","0.71073","MoKα","","0.0219","0.0193","","","0.0428","0.044","","","","","","1.071","","","","has coordinates","283336","2023-05-05","02:38:25",""
"7711917","17.7325","0.0003","19.2862","0.0003","21.029","0.0003","90","","90","","90","","7191.76","0.19","123.15","","123.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H66 Eu F15 O8 P2 -","- C73 H66 Eu F15 O8 P2 -","- C292 H264 Eu4 F60 O32 P8 -","4","1","","Tsurui, Makoto; Kitagawa, Yuichi; Shoji, Sunao; Fushimi, Koji; Hasegawa, Yasuchika","Enhanced circularly polarized luminescence of chiral Eu(III) coordination polymers with structural strain.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","796","805","10.1039/d2dt03422k","","x-ray","0.71073","MoKα","","0.0693","0.0576","","","0.1494","0.1546","","","","","","1.033","","","","has coordinates","283346","2023-05-05","02:41:30",""
"7711918","17.6036","0.0003","20.5986","0.0005","20.7174","0.0005","90","","90","","90","","7512.3","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H66 Eu F21 O8 P2 -","- C76 H66 Eu F21 O8 P2 -","- C304 H264 Eu4 F84 O32 P8 -","4","1","","Tsurui, Makoto; Kitagawa, Yuichi; Shoji, Sunao; Fushimi, Koji; Hasegawa, Yasuchika","Enhanced circularly polarized luminescence of chiral Eu(III) coordination polymers with structural strain.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","796","805","10.1039/d2dt03422k","","","0.71073","MoKα","","0.0953","0.0648","","","0.1669","0.1828","","","","","","0.998","","","","has coordinates,has disorder","283346","2023-05-05","02:41:30",""
"7711919","38.4705","0.0002","42.4265","0.0001","31.9924","0.0001","90","","90","","90","","52217","0.3","103","1","103","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZrMOP-ben-tetrahedron","","","- C192 H155 Cl4 O41 Zr12 -","- C192 H155 Cl4 O41 Zr12 -","- C1536 H1240 Cl32 O328 Zr96 -","8","1","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","x-ray","1.54184","CuKα","","0.0934","0.0852","","","0.196","0.2022","","","","","","1.064","","","","has coordinates,has disorder","283284","2023-05-05","02:04:16",""
"7711920","23.8868","0.0003","14.9932","0.0002","33.5014","0.0003","90","","103.661","0.001","90","","11658.7","0.2","101","1","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ZrMOP-ben-lantern","","","- C102 H98 Cl2 N2 O22.5 Zr6 -","- C102 H98 Cl2 N2 O22.5 Zr6 -","- C408 H392 Cl8 N8 O90 Zr24 -","4","0.5","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","","1.54184","CuKα","","0.0766","0.0678","","","0.1992","0.2098","","","","","","1.054","","","","has coordinates,has disorder","283284","2023-05-05","02:04:19",""
"7711921","17.6615","0.0002","22.1534","0.0004","22.8454","0.0004","67.304","0.002","69.669","0.001","83.237","0.001","7731.3","0.2","101","2","101","2","","","","","","","","7","P -1","-P 1","2","ZrMOP-tfmb-lantern","","","- C108 H86 Cl2 F18 N2 O22 Zr6 -","- C108 H86 Cl2 F18 N2 O22 Zr6 -","- C216 H172 Cl4 F36 N4 O44 Zr12 -","2","1","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","x-ray","1.54184","CuKα","","0.0832","0.0745","","","0.2412","0.2535","","","","","","1.094","","","","has coordinates,has disorder","283284","2023-05-05","02:04:19",""
"7711922","35.539","0.0007","32.1758","0.0003","105.6671","0.001","90","","94.954","0.001","90","","120379","3","101.6","0.5","101.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C310 H247 Cl8 F30 N O81 Zr24 -","- C310 H247 Cl8 F30 N O81 Zr24 -","- C2480 H1976 Cl64 F240 N8 O648 Zr192 -","8","1","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","","1.54184","CuKα","","0.1231","0.1006","","","0.2973","0.3179","","","","","","1.057","","","","has coordinates,has disorder","283284","2023-05-05","02:04:19",""
"7711923","31.9619","0.0003","35.5863","0.0003","42.8112","0.0004","86.16","0.001","86.329","0.001","63.715","0.001","43528.7","0.8","101","2","101.15","","","","","","","","","4","P -1","-P 1","2","","","","- C141 Cl4 O41.33 Zr12 -","- C141 Cl4 O41.3333 Zr12 -","- C846 Cl24 O248 Zr72 -","6","3","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","","1.54184","CuKα","","0.162","0.1233","","","0.3593","0.3956","","","","","","1.275","","","","has coordinates","283284","2023-05-05","02:04:19",""
"7711924","8.8988","0.0006","9.8033","0.0006","11.4213","0.0007","90.342","0.002","103.096","0.002","104.31","0.002","938.31","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Co N4 O8 -","- C16 H18 Co N4 O8 -","- C32 H36 Co2 N8 O16 -","2","1","","Zhou, Yue; Moorthy, Shruti; Wei, Xiao-Qin; Singh, Saurabh Kumar; Tian, Zhengfang; Shao, Dong","A porous cobalt(II)-organic framework exhibiting high room temperature proton conductivity and field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","909","918","10.1039/d2dt03383f","","","0.71073","MoKα","","0.0966","0.0724","","","0.1919","0.2111","","","","","","1.041","","","","has coordinates,has disorder","283268","2023-05-05","01:53:39",""
"7711925","8.8988","0.0006","9.8033","0.0006","11.4213","0.0007","90.342","0.002","103.096","0.002","104.31","0.002","938.31","0.1","323","","323","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Co N4 O8 -","- C16 H18 Co N4 O8 -","- C32 H36 Co2 N8 O16 -","2","1","","Zhou, Yue; Moorthy, Shruti; Wei, Xiao-Qin; Singh, Saurabh Kumar; Tian, Zhengfang; Shao, Dong","A porous cobalt(II)-organic framework exhibiting high room temperature proton conductivity and field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","909","918","10.1039/d2dt03383f","","","0.71073","MoKα","","0.1199","0.0752","","","0.2013","0.2318","","","","","","1.02","","","","has coordinates,has disorder","283268","2023-05-05","01:53:39",""
"7711926","8.8988","0.0006","9.8033","0.0006","11.4213","0.0007","90.342","0.002","103.096","0.002","104.31","0.002","938.31","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Co N4 O8 -","- C16 H18 Co N4 O8 -","- C32 H36 Co2 N8 O16 -","2","1","","Zhou, Yue; Moorthy, Shruti; Wei, Xiao-Qin; Singh, Saurabh Kumar; Tian, Zhengfang; Shao, Dong","A porous cobalt(II)-organic framework exhibiting high room temperature proton conductivity and field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","909","918","10.1039/d2dt03383f","","","0.71073","MoKα","","0.0922","0.0723","","","0.1948","0.2136","","","","","","1.034","","","","has coordinates,has disorder","283268","2023-05-05","01:53:39",""
"7711927","8.8988","0.0006","9.8033","0.0006","11.4213","0.0007","90.342","0.002","103.096","0.002","104.31","0.002","938.31","0.1","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Co N4 O8 -","- C16 H18 Co N4 O8 -","- C32 H36 Co2 N8 O16 -","2","1","","Zhou, Yue; Moorthy, Shruti; Wei, Xiao-Qin; Singh, Saurabh Kumar; Tian, Zhengfang; Shao, Dong","A porous cobalt(II)-organic framework exhibiting high room temperature proton conductivity and field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","909","918","10.1039/d2dt03383f","","","0.71073","MoKα","","0.0749","0.0671","","","0.181","0.1886","","","","","","1.041","","","","has coordinates,has disorder","283268","2023-05-05","01:53:39",""
"7711928","9.2314","0.0005","14.3123","0.0007","20.1811","0.001","90","","97.717","0.002","90","","2642.2","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 Cu3 F18 I3 N6 -","- C15 Cu3 F18 I3 N6 -","- C60 Cu12 F72 I12 N24 -","4","1","","Lu, Zhou; Vanga, Mukundam; Li, Shan; Adebanjo, Joseph; Patterson, Monika; Dias, Rasika; Omary, Mohammad","Relativistic Modulation of Supramolecular Halogen/Copper Interactions and Phosphorescence in Cu(I) Pyrazolate Cyclotrimers","Dalton Transactions","2023","","","","","10.1039/D2DT03725D","","x-ray","0.71073","MoKα","K-L~3~","0.071","0.0625","","","0.1446","0.1497","","","","","","1.027","","","","has coordinates","279894","2022-12-14","23:53:35",""
"7711929","11.3886","0.0004","11.7955","0.0004","15.524","0.0005","90","","92.048","0.002","90","","2084.07","0.12","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{κP, κC-(i-Pr)2PO-(5-OMe-C6H4}{κN-Et2NH}NiBr]","","- C17 H31 Br N Ni O2 P -","- C17 H31 Br N Ni O2 P -","- C68 H124 Br4 N4 Ni4 O8 P4 -","4","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","x-ray","1.34139","GaKα","","0.0526","0.0516","","","0.1664","0.1684","","","","","","1.115","","","","has coordinates,has disorder","283290","2023-05-05","02:09:03",""
"7711930","8.1691","0.0004","10.6197","0.0005","11.5954","0.0005","85.083","0.002","83.391","0.003","89.3","0.003","995.58","0.08","100","","100","","","","","","","","","8","P -1","-P 1","2","","[{κP,κC-(i-Pr)2PO-(5-Cl-C6H3)}{κN-(CH3CH2-)(CH3CH=)N}Ni(Br)]","","- C16 H26 Br Cl N Ni O P -","- C16 H26 Br Cl N Ni O P -","- C32 H52 Br2 Cl2 N2 Ni2 O2 P2 -","2","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0578","0.0535","","","0.148","0.1519","","","","","","1.132","","","","has coordinates","283290","2023-05-05","02:09:10",""
"7711931","10.312","0.003","11.182","0.003","16.878","0.005","90","","90","","90","","1946.2","1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[{κP,κC-(i-Pr)2PO-C6H4}{κN-Et2NOH}NiBr]","","- C16 H29 Br N Ni O2 P -","- C16 H29 Br N Ni O2 P -","- C64 H116 Br4 N4 Ni4 O8 P4 -","4","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0168","0.0168","","","0.0436","0.0436","","","","","","1.094","","","","has coordinates","283290","2023-05-05","02:09:14",""
"7711932","12.9011","0.0005","15.7826","0.0006","13.2566","0.0005","90","","107.169","0.002","90","","2578.93","0.17","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[{κP,κC-(i-Pr)2PO-(5-Cl-C6H3)}{κN-(PhCH2-)(PhCH=)N}Ni(Br)]","","- C26 H30 Br Cl N Ni O P -","- C26 H30 Br Cl N Ni O P -","- C104 H120 Br4 Cl4 N4 Ni4 O4 P4 -","4","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.34139","GaKα","","0.0518","0.0374","","","0.0868","0.0935","","","","","","1.05","","","","has coordinates","283290","2023-05-05","02:09:26",""
"7711933","9.2167","0.0003","10.7893","0.0003","11.1469","0.0003","108.309","0.001","99.259","0.001","99.244","0.001","1011.92","0.05","100","","100","","","","","","","","","8","P -1","-P 1","2","","[{κP,κC-(i-Pr)2PO-C6H4}{NH2OBn}Ni(Cl/Br)]","","- C19 H27 Br0.26 Cl0.74 N Ni O2 P -","- C19 H27 Br0.2655 Cl0.7345 N Ni O2 P -","- C38 H54 Br0.531 Cl1.469 N2 Ni2 O4 P2 -","2","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0237","0.0236","","","0.0639","0.064","","","","","","1.063","","","","has coordinates,has disorder","283290","2023-05-05","02:09:30",""
"7711934","8.7051","0.0004","10.584","0.0005","22.8298","0.0011","87.918","0.002","86.659","0.002","74.06","0.002","2018.65","0.17","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H29 Br N Ni O2 P -","- C17 H29 Br N Ni O2 P -","- C68 H116 Br4 N4 Ni4 O8 P4 -","4","2","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.34139","GaKα","","0.0835","0.0733","","","0.2153","0.2304","","","","","","1.067","","","","has coordinates,has disorder","283290","2023-05-05","02:09:42",""
"7711935","13.143","0.0003","15.5918","0.0004","13.1678","0.0003","90","","103.571","0.001","90","","2623.05","0.11","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Br N Ni O2 P -","- C27 H33 Br N Ni O2 P -","- C108 H132 Br4 N4 Ni4 O8 P4 -","4","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.34139","GaKα","","0.0276","0.0272","","","0.0706","0.0709","","","","","","1.102","","","","has coordinates","283290","2023-05-05","02:09:45",""
"7711936","32.2326","0.0006","9.4013","0.0002","21.8275","0.0004","90","","128.579","0.001","90","","5170.76","0.19","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 Br N Ni O2 P -","- C26 H33 Br N Ni O2 P -","- C208 H264 Br8 N8 Ni8 O16 P8 -","8","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0278","0.0267","","","0.0711","0.072","","","","","","1.047","","","","has coordinates","283290","2023-05-05","02:09:57",""
"7711937","20.5518","0.0011","10.3023","0.0005","10.8188","0.0007","90","","97.918","0.003","90","","2268.8","0.2","100","","100","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C21 H32 Br0.7 Cl0.3 N2 Ni O2 P -","- C21 H32 Br0.7 Cl0.3 N2 Ni O2 P -","- C84 H128 Br2.8 Cl1.2 N8 Ni4 O8 P4 -","4","2","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0538","0.0516","","","0.1452","0.1484","","","","","","1.047","","","","has coordinates,has disorder","283290","2023-05-05","02:10:03",""
"7711938","29.6233","0.0012","8.5715","0.0004","21.7605","0.0015","90","","130.357","0.001","90","","4210.4","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Br N2 Ni O P -","- C18 H32 Br N2 Ni O P -","- C144 H256 Br8 N16 Ni8 O8 P8 -","8","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0301","0.0299","","","0.0841","0.0843","","","","","","1.081","","","","has coordinates,has disorder","283290","2023-05-05","02:10:14",""
"7711939","8.6766","0.0003","10.8198","0.0004","16.2208","0.0006","91.236","0.001","93.385","0.002","90.311","0.002","1519.75","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H47 Br N2 Ni O2 P2 -","- C28 H47 Br N2 Ni O2 P2 -","- C56 H94 Br2 N4 Ni2 O4 P4 -","2","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.34139","GaKα","","0.0269","0.0255","","","0.0695","0.0706","","","","","","1.046","","","","has coordinates","283290","2023-05-05","02:10:19",""
"7711940","9.8021","0.0007","9.8021","0.0007","12.812","0.001","90","","90","","90","","1230.99","0.16","140","2","140","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","catena-[acetylenedicarboxylate-κO:O':O'':O'''-(μ-hydroxido-κO:O)indium(III)]","","- C4 H In O5 -","- C4 H In O5 -","- C16 H4 In4 O20 -","4","0.5","","Woschko, Dennis; Yilmaz, Süheyla; Jansen, Christian; Spieß, Alex; Oestreich, Robert; Matemb Ma Ntep, Tobie J.; Janiak, Christoph","Enhanced sorption in an indium-acetylenedicarboxylate metal-organic framework with unexpected chains of <i>cis</i>-μ-OH-connected {InO<sub>6</sub>} octahedra.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","977","989","10.1039/d2dt03719j","","","0.71073","MoKα","","0.0095","0.0094","","","0.0245","0.0246","","","","","","1.127","","","","has coordinates","283271","2023-05-05","01:54:37",""
"7711941","9.8015","0.0009","9.8015","0.0009","12.797","0.0014","90","","90","","90","","1229.4","0.2","140","2","140","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","catena-[acetylenedicarboxylate-κO:O':O'':O'''-(μ-hydroxido-κO:O)indium(III)]","","- C4 H In O5 -","- C4 H In O5 -","- C16 H4 In4 O20 -","4","0.5","","Woschko, Dennis; Yilmaz, Süheyla; Jansen, Christian; Spieß, Alex; Oestreich, Robert; Matemb Ma Ntep, Tobie J.; Janiak, Christoph","Enhanced sorption in an indium-acetylenedicarboxylate metal-organic framework with unexpected chains of <i>cis</i>-μ-OH-connected {InO<sub>6</sub>} octahedra.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","977","989","10.1039/d2dt03719j","","","0.71073","MoKα","","0.0131","0.0127","","","0.0335","0.0336","","","","","","1.084","","","","has coordinates","283271","2023-05-05","01:54:38",""
"7711942","7.9318","0.0007","15.0107","0.0014","22.6228","0.0019","90","","93.569","0.003","90","","2688.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl Co N6 O6 -","- C26 H26 Cl Co N6 O6 -","- C104 H104 Cl4 Co4 N24 O24 -","4","1","","Kumar Yadav, Jitendra; Singh, Baghendra; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Chlorocobaloxime containing <i>N</i>-(4-pyridylmethyl)-1,8-naphthalamide peripheral ligands: synthesis, characterization and enhanced electrochemical hydrogen evolution in alkaline medium.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","936","946","10.1039/d2dt02511f","","","0.71073","MoKα","","0.0486","0.0352","","","0.0796","0.0883","","","","","","1.035","","","","has coordinates","283278","2023-05-05","01:58:19",""
"7711943","9.1696","0.0004","14.6019","0.0006","21.002","0.0008","90","","101.513","0.001","90","","2755.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Br Cl Co N6 O6 -","- C26 H25 Br Cl Co N6 O6 -","- C104 H100 Br4 Cl4 Co4 N24 O24 -","4","1","","Kumar Yadav, Jitendra; Singh, Baghendra; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Chlorocobaloxime containing <i>N</i>-(4-pyridylmethyl)-1,8-naphthalamide peripheral ligands: synthesis, characterization and enhanced electrochemical hydrogen evolution in alkaline medium.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","936","946","10.1039/d2dt02511f","","","0.71073","MoKα","","0.056","0.0481","","","0.1229","0.1274","","","","","","1.105","","","","has coordinates,has disorder","283278","2023-05-05","01:58:19",""
"7711944","5.3831","0.0002","6.8749","0.0003","8.023","0.0004","72.436","0.001","85.695","0.002","68.106","0.001","262.42","0.02","223","2","223","2","","","","","","","","3","P -1","-P 1","2","tungsten tellurate","WTe2O7","","- O7 Te2 W -","- O7 Te2 W -","- O14 Te4 W2 -","2","1","","Ziegler, Raimund; Purtscher, Felix R. S.; Schwartz, Heidi A.; Hofer, Thomas S.; Heymann, Gunter","First ternary tungsten tellurate(IV) WTe<sub>2</sub>O<sub>7</sub> with unique crystal structure type.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2243","2254","10.1039/d2dt03419k","","","0.71073","MoKα","","0.0187","0.0155","","","0.0316","0.0323","","","","","","1.048","","","","has coordinates,has disorder","283248","2023-05-05","01:47:50",""
"7711945","8.829","0.0003","29.3646","0.0012","12.1854","0.0005","90","","105.732","0.001","90","","3040.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl2 Fe O Sb2 -","- C34 H28 Cl2 Fe O Sb2 -","- C136 H112 Cl8 Fe4 O4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0363","0.0349","","","0.083","0.0834","","","","","","1.491","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711946","24.4241","0.0011","8.5633","0.0003","16.9344","0.0007","90","","105.982","0.001","90","","3404.9","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Cl3 F4 Fe Sb2 -","- C35 H29 Cl3 F4 Fe Sb2 -","- C140 H116 Cl12 F16 Fe4 Sb8 -","4","0.5","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0223","0.0216","","","0.0583","0.0589","","","","","","1.075","","","","has coordinates,has disorder","283261","2023-05-05","01:52:03",""
"7711947","9.2571","0.0005","15.2508","0.0009","23.3178","0.0013","99.319","0.002","101.128","0.002","91.338","0.002","3182.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl4 Fe Sb2 -","- C34 H28 Cl4 Fe Sb2 -","- C136 H112 Cl16 Fe4 Sb8 -","4","2","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0203","0.0183","","","0.0425","0.0435","","","","","","1.043","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711948","12.0562","0.0003","28.0108","0.0008","18.0496","0.0005","90","","106.087","0.001","90","","5856.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 F2 Fe O Sb2 -","- C34 H28 F2 Fe O Sb2 -","- C272 H224 F16 Fe8 O8 Sb16 -","8","2","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0218","0.0195","","","0.0423","0.0433","","","","","","1.115","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711949","17.0025","0.0008","9.1706","0.0005","19.5817","0.001","90","","105.473","0.002","90","","2942.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 F2 Fe Sb2 -","- C34 H28 F2 Fe Sb2 -","- C136 H112 F8 Fe4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0199","0.0183","","","0.0457","0.0467","","","","","","1.081","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711950","9.7288","0.0004","12.4015","0.0006","15.628","0.0008","76.729","0.002","89.536","0.002","80.201","0.002","1807.47","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H29 Cl3 Fe N2 O7 Sb2 -","- C35 H29 Cl3 Fe N2 O7 Sb2 -","- C70 H58 Cl6 Fe2 N4 O14 Sb4 -","2","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.023","0.0218","","","0.0565","0.0576","","","","","","1.075","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711951","19.6555","0.0006","10.0924","0.0003","19.8006","0.0005","90","","111.864","0.001","90","","3645.34","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl4 Fe O9 Sb2 -","- C35 H30 Cl4 Fe O9 Sb2 -","- C140 H120 Cl16 Fe4 O36 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0243","0.0208","","","0.045","0.0468","","","","","","1.06","","","","has coordinates,has disorder","283261","2023-05-05","01:52:03",""
"7711952","9.248","0.0005","12.349","0.0007","12.7685","0.0007","104.707","0.002","92.922","0.002","108.949","0.002","1319.74","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H58 Cl6 Fe Ru2 Sb2 -","- C55 H58 Cl6 Fe Ru2 Sb2 -","- C55 H58 Cl6 Fe Ru2 Sb2 -","1","0.5","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.017","0.016","","","0.038","0.0387","","","","","","1.09","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711953","10.2112","0.0005","12.0289","0.0006","14.7499","0.0007","92.786","0.002","100.603","0.001","113.284","0.001","1620.92","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Fe O3 Pd Sb2 -","- C38 H30 Fe O3 Pd Sb2 -","- C76 H60 Fe2 O6 Pd2 Sb4 -","2","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0136","0.0132","","","0.0317","0.032","","","","","","1.092","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711954","21.2838","0.0007","13.1838","0.0005","24.695","0.0009","90","","101.974","0.001","90","","6778.7","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H62 F12 Fe2 O Pd Sb6 -","- C71 H62 F12 Fe2 O Pd Sb6 -","- C284 H248 F48 Fe8 O4 Pd4 Sb24 -","4","0.5","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0219","0.0206","","","0.0475","0.0482","","","","","","1.054","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711955","15.2124","0.0007","16.776","0.0007","16.1922","0.0007","90","","92.786","0.002","90","","4127.4","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Cl F6 Fe P Rh Sb2 -","- C44 H43 Cl F6 Fe P Rh Sb2 -","- C176 H172 Cl4 F24 Fe4 P4 Rh4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0282","0.0255","","","0.0609","0.063","","","","","","1.121","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711956","12.5657","0.0004","16.8584","0.0005","17.1074","0.0005","90","","94.94","0.001","90","","3610.53","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl5 Fe Pt Sb2 -","- C35 H29 Cl5 Fe Pt Sb2 -","- C140 H116 Cl20 Fe4 Pt4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.024","0.0203","","","0.0435","0.045","","","","","","1.094","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711957","12.5589","0.0005","16.8733","0.0007","17.0801","0.0007","90","","94.915","0.002","90","","3606.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl5 Fe Pd Sb2 -","- C35 H29 Cl5 Fe Pd Sb2 -","- C140 H116 Cl20 Fe4 Pd4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0242","0.0211","","","0.0473","0.0484","","","","","","1.11","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711958","11.7079","0.0006","29.3735","0.0015","13.424","0.0006","90","","100.153","0.002","90","","4544.2","0.4","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H48 Cl2 F6 Fe O0.5 P Ru Sb2 -","- C44 H42 Cl F6 Fe P Ru Sb2 -","- C176 H168 Cl4 F24 Fe4 P4 Ru4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0261","0.0218","","","0.0479","0.0501","","","","","","1.106","","","","has coordinates,has disorder","283261","2023-05-05","01:52:03",""
"7711959","11.6926","0.0006","30.7225","0.0015","11.8129","0.0006","90","","118.336","0.002","90","","3735","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H43 Cl Fe Ru Sb2 -","- C44 H43 Cl Fe Ru Sb2 -","- C176 H172 Cl4 Fe4 Ru4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0236","0.0198","","","0.04","0.041","","","","","","1.122","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711960","19.4717","0.0008","14.6121","0.0005","23.3149","0.0009","90","","109.27","0.001","90","","6262","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Ag F6 Fe2 Sb5 -","- C68 H56 Ag F6 Fe2 Sb5 -","- C272 H224 Ag4 F24 Fe8 Sb20 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.022","0.0203","","","0.0519","0.0533","","","","","","1.093","","","","has coordinates,has disorder","283261","2023-05-05","01:52:03",""
"7711961","12.6197","0.0005","15.2205","0.0006","17.2276","0.0007","95.65","0.002","107.208","0.001","109.875","0.001","2898.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H62 Cl8 Fe Rh2 Sb2 -","- C56 H62 Cl8 Fe Rh2 Sb2 -","- C112 H124 Cl16 Fe2 Rh4 Sb4 -","2","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0383","0.0296","","","0.063","0.0663","","","","","","1.046","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711962","12.2579","0.0005","12.7402","0.0005","13.6247","0.0006","87.685","0.001","69.57","0.001","73.442","0.001","1907.08","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 Ag2 Cl10 Fe2 O8 Sb4 -","- C70 H60 Ag2 Cl6 Fe2 O8 Sb4 -","- C70 H60 Ag2 Cl6 Fe2 O8 Sb4 -","1","0.5","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.017","0.0163","","","0.0391","0.0394","","","","","","1.061","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711963","19.3992","0.0017","14.4857","0.0012","23.3398","0.0018","90","","108.945","0.003","90","","6203.5","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Au F6 Fe2 Sb5 -","- C68 H56 Au F6 Fe2 Sb5 -","- C272 H224 Au4 F24 Fe8 Sb20 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0132","0.0129","","","0.0294","0.0296","","","","","","1.085","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711964","14.1459","0.0004","13.03","0.0004","15.2921","0.0005","90","","90.576","0.001","90","","2818.51","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe Sb2 -","- C34 H28 Fe Sb2 -","- C136 H112 Fe4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0344","0.027","","","0.0647","0.0684","","","","","","1.043","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711965","12.7197","0.001","12.1154","0.0009","26.462","0.002","90","","98.133","0.003","90","","4036.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Au2 Cl8 Fe Sb2 -","- C36 H30 Au2 Cl8 Fe Sb2 -","- C144 H120 Au8 Cl32 Fe4 Sb8 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0155","0.015","","","0.0348","0.0351","","","","","","1.133","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711966","13.1245","0.0003","21.5627","0.0005","22.3494","0.0005","90","","92.235","0.001","90","","6320.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H58 Au2 Cl3 Fe2 Sb4 -","- C69 H58 Au2 Cl3 Fe2 Sb4 -","- C276 H232 Au8 Cl12 Fe8 Sb16 -","4","1","","Schulz, Jiří; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Beyond phosphorus: synthesis, reactivity, coordination behaviour and catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1198","1211","10.1039/d2dt03770j","","","0.71073","MoKα","","0.0206","0.019","","","0.0451","0.046","","","","","","1.05","","","","has coordinates","283261","2023-05-05","01:52:03",""
"7711967","16.8879","0.0004","8.1763","0.0002","7.7975","0.0002","90","","90","","90","","1076.68","0.05","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Cheng, Haiming; Cao, Chi; Teng, Shiyong; Zhang, Zhinan; Zhang, Ying; Wang, Dayang; Yang, Wensheng; Xie, Renguo","Sn(II)-doped one-dimensional hybrid metal halide [C<sub>5</sub>H<sub>14</sub>NO]CdCl<sub>3</sub> single crystals with broadband greenish-yellow light emission.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1021","1029","10.1039/d2dt03697e","","","0.71073","MoKα","","0.0189","0.0175","","","0.0339","0.0343","","","","","","1.051","","","","has coordinates","283272","2023-05-05","01:54:45",""
"7711968","10.57","0.002","10.57","0.002","7.9754","0.0016","90","","90","","120","","771.7","0.3","410","","410","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C7 H17 Br3 Cl N Pb -","- C6.4974 H16.4934 Br3 Cl0.9996 N0.9996 Pb -","- C12.9948 H32.9868 Br6 Cl1.9992 N1.9992 Pb2 -","2","0.0833333","","Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Ge, Shuwang; Liu, Xianmin; Zhang, Yinan; Chen, Long; Hua, Xiu-Ni; Sun, Baiwang","Design, synthesis, and characterization of a new hybrid organic-inorganic perovskite with a high-<i>T</i><sub>c</sub> dielectric transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","955","961","10.1039/d2dt03503k","","x-ray","0.71073","MoKα","","0.1423","0.0893","","","0.2454","0.3051","","","","","","1.034","","","","has coordinates,has disorder","283264","2023-05-05","01:52:59",""
"7711969","10.8678","0.0004","35.685","0.0015","7.7853","0.0003","90","","100.953","0.001","90","","2964.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 Br3 Cl N Pb -","- C7 H17 Br3 Cl N Pb -","- C56 H136 Br24 Cl8 N8 Pb8 -","8","2","","Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Ge, Shuwang; Liu, Xianmin; Zhang, Yinan; Chen, Long; Hua, Xiu-Ni; Sun, Baiwang","Design, synthesis, and characterization of a new hybrid organic-inorganic perovskite with a high-<i>T</i><sub>c</sub> dielectric transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","955","961","10.1039/d2dt03503k","","","0.71073","MoKα","","0.0702","0.0409","","","0.0782","0.0862","","","","","","1.018","","","","has coordinates","283264","2023-05-05","01:52:59",""
"7711970","10.871","0.004","7.644","0.003","13.574","0.005","90","","92.486","0.009","90","","1126.9","0.7","273","","273","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Br4 N2 O2 Zn -","- C16 H24 Br4 N2 O2 Zn -","- C32 H48 Br8 N4 O4 Zn2 -","2","1","","Teri, Gele; Jia, Qiang-Qiang; Ni, Hao-Fei; Wang, Jun-Qin; Fu, Da-Wei; Guo, Qiang","Halogen engineering of organic-inorganic hybrid perovskites displaying nonlinear optical, fluorescence properties and phase transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1074","1081","10.1039/d2dt04014j","","","0.71073","MoKα","","0.0834","0.0423","","","0.08","0.0974","","","","","","0.993","","","","has coordinates","283269","2023-05-05","01:53:56",""
"7711971","11.33","0.004","8.298","0.003","27.754","0.009","90","","90.453","0.006","90","","2609.2","1.6","363","","363","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 I4 N2 O2 Zn -","- C16 H24 I4 N2 O2 Zn -","- C64 H96 I16 N8 O8 Zn4 -","4","1","","Teri, Gele; Jia, Qiang-Qiang; Ni, Hao-Fei; Wang, Jun-Qin; Fu, Da-Wei; Guo, Qiang","Halogen engineering of organic-inorganic hybrid perovskites displaying nonlinear optical, fluorescence properties and phase transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1074","1081","10.1039/d2dt04014j","","","0.71073","MoKα","","0.0771","0.0449","","","0.1003","0.1163","","","","","","1.076","","","","has coordinates,has disorder","283269","2023-05-05","01:53:56",""
"7711972","17.383","0.0007","8.2623","0.0004","18.0124","0.0007","90","","102.459","0.001","90","","2526.08","0.19","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 I4 N2 O2 Zn -","- C16 H24 I4 N2 O2 Zn -","- C64 H96 I16 N8 O8 Zn4 -","4","1","","Teri, Gele; Jia, Qiang-Qiang; Ni, Hao-Fei; Wang, Jun-Qin; Fu, Da-Wei; Guo, Qiang","Halogen engineering of organic-inorganic hybrid perovskites displaying nonlinear optical, fluorescence properties and phase transition.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1074","1081","10.1039/d2dt04014j","","","0.71073","MoKα","","0.0627","0.0353","","","0.0615","0.0749","","","","","","1.05","","","","has coordinates","283269","2023-05-05","01:53:56",""
"7711973","15.1913","0.0013","17.2926","0.0012","27.97","0.003","96.349","0.003","103.183","0.003","105.167","0.003","6790.5","1.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H88 Bi6 Br31 N20 O8 Ru4 -","- C80 H88 Bi6 Br31 N20 O8 Ru4 -","- C160 H176 Bi12 Br62 N40 O16 Ru8 -","2","1","","Mikhailov, Artem; Korobeynikov, Nikita; Usoltsev, Andrey; Adonin, Sergey A.; Kostin, Gennadiy A.; Schaniel, Dominik","Bismuth and antimony halometalates containing photoswitchable ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","919","927","10.1039/d2dt03497b","","","0.71073","MoKα","","0.0754","0.0525","","","0.1066","0.115","","","","","","1.044","","","","has coordinates,has disorder","283280","2023-05-05","01:59:21",""
"7711974","12.0218","0.0011","22.4544","0.0019","26.372","0.002","90","","92.506","0.003","90","","7112.1","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br9 N5 O Ru Sb2 -","- C20 H20 Br9 N5 O Ru Sb2 -","- C160 H160 Br72 N40 O8 Ru8 Sb16 -","8","2","","Mikhailov, Artem; Korobeynikov, Nikita; Usoltsev, Andrey; Adonin, Sergey A.; Kostin, Gennadiy A.; Schaniel, Dominik","Bismuth and antimony halometalates containing photoswitchable ruthenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","919","927","10.1039/d2dt03497b","","","0.71073","MoKα","","0.0747","0.0393","","","0.078","0.0885","","","","","","1.053","","","","has coordinates","283280","2023-05-05","01:59:31",""
"7711975","2.86201","0.00002","7.07401","0.00006","14.5969","0.0001","90","","90","","90","","295.527","0.004","298","","298","","","","","","","","","2","C m c m","-C 2c 2","63","Mo3N5","molybdenum nitride","","- Mo3 N5 -","- Mo3 N5 -","- Mo12 N20 -","4","0.25","","Sasaki, Takuya; Yamamoto, Takuro; Asano, Shuto; Niwa, Ken; Hasegawa, Masashi","High-pressure synthesis and crystal structures of molybdenum nitride Mo<sub>3</sub>N<sub>5</sub> with anisotropic compressibility by a nitrogen dimer.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","469","475","10.1039/d2dt03433f","powder diffraction","","0.74977","synchrotron","","0.00416","","","","","","0.00421","0.01074","0.087","","","","","","","has coordinates","283292","2023-05-05","02:11:29",""
"7711976","26.864","0.007","15.259","0.004","17.79","0.004","90","","90","","90","","7292","3","153","","153","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C77 H63 B Br Fe N7 O6 -","- C77 H63 B Br Fe N7 O6 -","- C308 H252 B4 Br4 Fe4 N28 O24 -","4","0.5","","Matsubara, Kouki; Yamada, Yuji; Iwasaki, Haruka; Ikeda, Hayao; Kanetsugu, Yuki; Kawata, Satoshi; Koga, Yuji","A 1,2,3-triazole-derived pincer-type mesoionic carbene complex of iron(II): carbonyl elimination and hydrosilylation of aromatic aldehydes <i>via</i> the concerted reaction with hydrosilane and a base.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","572","582","10.1039/d2dt03617g","","","0.71075","MoKα","","0.0847","0.076","","","0.2012","0.2077","","","","","","1.137","","","","has coordinates","283342","2023-05-05","02:40:32",""
"7711977","7.0308","0.0005","13.8067","0.0009","20.6288","0.0014","90","","97.035","0.003","90","","1987.4","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl2 F3 Fe N4 O4 S -","- C13 H20 Cl2 F3 Fe N4 O4 S -","- C52 H80 Cl8 F12 Fe4 N16 O16 S4 -","4","1","","Mekhail, Magy A.; Pota, Kristof; Kharel, Sugam; Freire, David M.; Green, Kayla N.","Pyridine modifications regulate the electronics and reactivity of Fe-pyridinophane complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","892","901","10.1039/d2dt03485a","","","0.71073","MoKα","","0.0481","0.048","","","0.1272","0.1273","","","","","","1.0046","","","","has coordinates","283275","2023-05-05","01:56:46",""
"7711978","6.8637","0.0004","8.6169","0.0005","36.4304","0.0019","90","","90","","90","","2154.6","0.2","293","","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl2 F3 Fe N5 O3 S -","- C14 H23 Cl2 F3 Fe N5 O3 S -","- C56 H92 Cl8 F12 Fe4 N20 O12 S4 -","4","1","","Mekhail, Magy A.; Pota, Kristof; Kharel, Sugam; Freire, David M.; Green, Kayla N.","Pyridine modifications regulate the electronics and reactivity of Fe-pyridinophane complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","892","901","10.1039/d2dt03485a","","","0.71073","MoKα","","0.1189","0.1186","","","0.2586","0.2587","","","","","","1.133","","","","has coordinates,has disorder","283275","2023-05-05","01:56:47",""
"7711979","25.1399","0.0017","8.2657","0.0005","31.08","0.002","90","","111.259","0.002","90","","6018.9","0.7","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cl2 F3.01 Fe I N4 O3.04 S -","- C12 H17 Cl2 F3.01333 Fe I0.997333 N4 O3.04 S -","- C144 H204 Cl24 F36.16 Fe12 I11.968 N48 O36.48 S12 -","12","3","","Mekhail, Magy A.; Pota, Kristof; Kharel, Sugam; Freire, David M.; Green, Kayla N.","Pyridine modifications regulate the electronics and reactivity of Fe-pyridinophane complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","892","901","10.1039/d2dt03485a","","","0.71073","MoKα","","0.041","0.0371","","","0.07","0.0713","","","","","","1.257","","","","has coordinates,has disorder","283275","2023-05-05","01:56:47",""
"7711980","10.2446","0.0009","12.5326","0.0009","12.8125","0.0011","75.113","0.003","80.036","0.003","67.918","0.002","1467.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2","","- C36 H28 Au B N3 P -","- C36 H28 Au B N3 P -","- C72 H56 Au2 B2 N6 P2 -","2","1","","Li, Yijie; Shen, Yu-Hsuan; Esper, Alec M.; Tidwell, John R.; Veige, Adam S.; Martin, Caleb D.","Probing borafluorene B-C bond insertion with gold acetylide and azide.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","668","674","10.1039/d2dt03672j","","","0.71073","MoKα","","0.0698","0.0599","","","0.1551","0.1612","","","","","","1.078","","","","has coordinates","283340","2023-05-05","02:40:12",""
"7711981","18.0377","0.0005","18.2628","0.0005","18.6944","0.0005","90","","118.375","0.001","90","","5418.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3EDMAP","","- C55 H52 Au B N2 P -","- C55 H52 Au B N2 P -","- C220 H208 Au4 B4 N8 P4 -","4","1","","Li, Yijie; Shen, Yu-Hsuan; Esper, Alec M.; Tidwell, John R.; Veige, Adam S.; Martin, Caleb D.","Probing borafluorene B-C bond insertion with gold acetylide and azide.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","668","674","10.1039/d2dt03672j","","","0.71073","MoKα","","0.0209","0.018","","","0.0459","0.0469","","","","","","1.053","","","","has coordinates","283340","2023-05-05","02:40:12",""
"7711982","12.804","0.002","14.327","0.002","14.901","0.003","82.115","0.007","82.921","0.007","76.566","0.007","2621.7","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","3ZDMAP","","- C53 H47 Au B Cl2 N2 P -","- C53 H47 Au B Cl2 N2 P -","- C106 H94 Au2 B2 Cl4 N4 P2 -","2","1","","Li, Yijie; Shen, Yu-Hsuan; Esper, Alec M.; Tidwell, John R.; Veige, Adam S.; Martin, Caleb D.","Probing borafluorene B-C bond insertion with gold acetylide and azide.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","668","674","10.1039/d2dt03672j","","","0.71073","MoKα","","0.0545","0.0456","","","0.1036","0.1071","","","","","","1.068","","","","has coordinates,has disorder","283340","2023-05-05","02:40:12",""
"7711983","10.5854","0.0003","9.8043","0.0002","22.5734","0.0005","90","","91.295","0.001","90","","2342.12","0.1","173","2","173.05","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 B P -","- C25 H42 B P -","- C100 H168 B4 P4 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","1.54178","CuKα","","0.0533","0.0479","","","0.1358","0.1408","","","","","","1.049","","","","has coordinates,has disorder","283347","2023-05-05","02:41:55",""
"7711984","10.7112","0.0004","11.6101","0.0004","18.4751","0.0006","90","","90.838","0.001","90","","2297.28","0.14","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 B P -","- C25 H42 B P -","- C100 H168 B4 P4 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","0.71073","MoKα","","0.05","0.0377","","","0.0927","0.0997","","","","","","1.028","","","","has coordinates","283347","2023-05-05","02:41:57",""
"7711985","9.9653","0.0002","15.4219","0.0004","17.1801","0.0004","90","","101.565","0.0013","90","","2586.7","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B Br2 P Si -","- C24 H40 B Br2 P Si -","- C96 H160 B4 Br8 P4 Si4 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","1.54178","CuKα","","0.0517","0.0444","","","0.1333","0.1394","","","","","","1.059","","","","has coordinates","283347","2023-05-05","02:41:57",""
"7711986","10.23","0.002","19.008","0.004","14.985","0.004","90","","102.935","0.004","90","","2839.9","1.1","193.15","","193.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CH2PBMes(CH2)","","","- C32 H44 B P -","- C32 H44 B P -","- C128 H176 B4 P4 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","0.71073","MoKα","","0.0741","0.0486","","","0.1226","0.1405","","","","","","1.04","","","","has coordinates,has disorder","283347","2023-05-05","02:41:57",""
"7711987","11.0509","0.0003","11.8386","0.0003","14.3836","0.0004","99.1129","0.0011","105.967","0.0011","108.619","0.0009","1650.69","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H96 Ag2 B2 F6 O6 P2 S2 -","- C64 H96 Ag2 B2 F6 O6 P2 S2 -","- C64 H96 Ag2 B2 F6 O6 P2 S2 -","1","0.5","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","1.54178","CuKα","","0.027","0.0263","","","0.072","0.0725","","","","","","1.073","","","","has coordinates,has disorder","283347","2023-05-05","02:41:57",""
"7711988","12.7778","0.0006","18.1916","0.0008","15.887","0.0007","90","","95.464","0.001","90","","3676.1","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56.34 Li2 O2 P2 -","- C34 H56.338 Li2 O2 P2 -","- C136 H225.352 Li8 O8 P8 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","0.71073","MoKα","","0.0963","0.0607","","","0.1528","0.1769","","","","","","1.037","","","","has coordinates,has disorder","283347","2023-05-05","02:41:57",""
"7711989","9.9428","0.001","16.8849","0.0017","20.512","0.002","90","","90","","90","","3443.6","0.6","193","2","193.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 B Li O3 P -","- C34 H58 B Li O3 P -","- C136 H232 B4 Li4 O12 P4 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","0.71073","MoKα","","0.0936","0.0579","","","0.1361","0.1595","","","","","","1.027","","","","has coordinates,has disorder","283347","2023-05-05","02:41:57",""
"7711990","9.853","0.0014","17.864","0.002","22.08","0.003","90","","100.94","0.012","90","","3815.8","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 Cl Cu N2 P2 S -","- C42 H37 Cl Cu N2 P2 S -","- C168 H148 Cl4 Cu4 N8 P8 S4 -","4","1","","Karmakar, Gourab; Tyagi, Adish; Halankar, Kruti K.; Nigam, Sandeep; Mandal, B. P.; Wadawale, A. P.; Kedarnath, G.; Debnath, Anil K.","Molecular precursor-mediated facile synthesis of phase pure metal-rich digenite (Cu<sub>1.8</sub>S) nanocrystals: an efficient anode for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1461","1475","10.1039/d2dt03757b","","","0.71069","MoKα","","0.2028","0.0645","","","0.1229","0.1616","","","","","","0.978","","","","has coordinates","283258","2023-05-05","01:50:52",""
"7711991","10.2927","0.0012","11.8324","0.0014","14.4365","0.0018","89.489","0.007","77.986","0.007","76.638","0.007","1671.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Dy N5 O16 -","- C30 H32 Dy N5 O16 -","- C60 H64 Dy2 N10 O32 -","2","1","","Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan","Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1241","1256","10.1039/d2dt03354b","","","0.71073","MoKα","","0.0422","0.0314","","","0.0578","0.0612","","","","","","1.025","","","","has coordinates","283256","2023-05-05","01:50:29",""
"7711992","10.232","0.002","12.552","0.002","14.195","0.003","89.362","0.005","78.082","0.007","78.575","0.006","1747.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Dy N5 O16 -","- C32 H36 Dy N5 O16 -","- C64 H72 Dy2 N10 O32 -","2","1","","Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan","Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1241","1256","10.1039/d2dt03354b","","","0.71073","MoKα","","0.0593","0.0464","","","0.1022","0.1082","","","","","","1.024","","","","has coordinates,has disorder","283256","2023-05-05","01:50:30",""
"7711993","10.3031","0.001","11.8232","0.0012","14.4659","0.0013","89.493","0.005","78.117","0.005","76.854","0.005","1677.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N5 O16 Tb -","- C30 H32 N5 O16 Tb -","- C60 H64 N10 O32 Tb2 -","2","1","","Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan","Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1241","1256","10.1039/d2dt03354b","","","0.71073","MoKα","","0.0451","0.0332","","","0.072","0.0779","","","","","","1.055","","","","has coordinates","283256","2023-05-05","01:50:30",""
"7711994","10.312","0.0005","11.7797","0.0006","14.4411","0.0008","89.02","0.003","78.107","0.002","76.588","0.002","1668.85","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N5 O16 Yb -","- C30 H32 N5 O16 Yb -","- C60 H64 N10 O32 Yb2 -","2","1","","Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan","Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1241","1256","10.1039/d2dt03354b","","","0.71073","MoKα","","0.0322","0.027","","","0.0569","0.0589","","","","","","1.056","","","","has coordinates","283256","2023-05-05","01:50:30",""
"7711995","10.3019","0.0013","11.8026","0.0016","14.448","0.002","89.12","0.004","78.07","0.004","76.718","0.004","1671.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Er N5 O16 -","- C30 H32 Er N5 O16 -","- C60 H64 Er2 N10 O32 -","2","1","","Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan","Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1241","1256","10.1039/d2dt03354b","","","0.71073","MoKα","","0.0525","0.0384","","","0.0714","0.0768","","","","","","0.998","","","","has coordinates","283256","2023-05-05","01:50:30",""
"7711996","10.301","0.0005","11.8039","0.0006","14.4529","0.0007","89.278","0.002","78.052","0.002","76.709","0.002","1672.1","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Ho N5 O16 -","- C30 H32 Ho N5 O16 -","- C60 H64 Ho2 N10 O32 -","2","1","","Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan","Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1241","1256","10.1039/d2dt03354b","","","0.71073","MoKα","","0.0252","0.0189","","","0.039","0.0406","","","","","","1.04","","","","has coordinates","283256","2023-05-05","01:50:30",""
"7711997","6.6487","0.0005","11.9212","0.0008","12.4491","0.0008","111.441","0.001","98.217","0.001","102.004","0.001","871.99","0.1","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H13 Cl F6 N3 P Pt -","- C12 H13 Cl F6 N3 P Pt -","- C24 H26 Cl2 F12 N6 P2 Pt2 -","2","1","","Kaur, Mandeep; Thakare, Ritesh; Bhattacherya, Arindom; Murugan, Prem Anand; Kaul, Grace; Shukla, Manjulika; Singh, Alok Kr; Matheshwaran, Saravanan; Chopra, Sidharth; Bera, Jitendra K.","Antimicrobial efficacy of a hemilabile Pt(II)-NHC compound against drug-resistant <i>S. aureus</i> and <i>Enterococcus</i>.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1876","1884","10.1039/d2dt03365h","","x-ray","0.71073","MoKα","","0.0405","0.0321","","","0.0663","0.0687","","","","","","1.055","","","","has coordinates","283320","2023-05-05","02:23:42",""
"7711998","13.328","0.002","14.393","0.002","15.469","0.002","72.19","0.004","89.773","0.004","85.898","0.004","2817.5","0.7","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H29 Cl2 F12 N3 P2 Pt -","- C21 H29 Cl2 F12 N3 P2 Pt -","- C84 H116 Cl8 F48 N12 P8 Pt4 -","4","2","","Kaur, Mandeep; Thakare, Ritesh; Bhattacherya, Arindom; Murugan, Prem Anand; Kaul, Grace; Shukla, Manjulika; Singh, Alok Kr; Matheshwaran, Saravanan; Chopra, Sidharth; Bera, Jitendra K.","Antimicrobial efficacy of a hemilabile Pt(II)-NHC compound against drug-resistant <i>S. aureus</i> and <i>Enterococcus</i>.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1876","1884","10.1039/d2dt03365h","","x-ray","0.71073","MoKα","","0.0619","0.0464","","","0.093","0.0978","","","","","","1.015","","","","has coordinates,has disorder","283320","2023-05-05","02:23:42",""
"7711999","13.7494","0.0009","11.5541","0.0008","17.3694","0.0011","90","","97.787","0.002","90","","2733.9","0.3","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Cl2 N3 Pt0.83 -","- C12 H15 Cl2 N3 Pt0.829 -","- C96 H120 Cl16 N24 Pt6.632 -","8","1","","Kaur, Mandeep; Thakare, Ritesh; Bhattacherya, Arindom; Murugan, Prem Anand; Kaul, Grace; Shukla, Manjulika; Singh, Alok Kr; Matheshwaran, Saravanan; Chopra, Sidharth; Bera, Jitendra K.","Antimicrobial efficacy of a hemilabile Pt(II)-NHC compound against drug-resistant <i>S. aureus</i> and <i>Enterococcus</i>.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1876","1884","10.1039/d2dt03365h","","x-ray","0.71073","MoKα","","0.0359","0.0318","","","0.0819","0.0841","","","","","","1.08","","","","has coordinates,has disorder","283320","2023-05-05","02:23:42",""
"7712000","14.2726","0.0017","12.0903","0.0017","17.953","0.002","90","","90","","90","","3098","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Al O4 S -","- C12 H21 Al O4 S -","- C96 H168 Al8 O32 S8 -","8","1","","Tabernero, Vanessa; Teresa Muñoz, M; Palenzuela, Miguel; Gomila, Rosa M.; Frontera, Antonio; Mosquera, Marta E. G.","σ-Hole triel bonds in aluminium derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","551","555","10.1039/d2dt03581b","","x-ray","0.71073","MoKα","","0.0987","0.0488","","","0.1319","0.1529","","","","","","1.024","","","","has coordinates","283337","2023-05-05","02:38:49",""
"7712001","23.2407","0.0017","23.246","0.002","29.7083","0.0016","108.197","0.007","94.803","0.005","117.841","0.009","12969","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H108 N10 O190 P6 W48 Zr6 -","- C20 H80 N10 O190 P6 W48 Zr6 -","- C40 H160 N20 O380 P12 W96 Zr12 -","2","1","","Li, Hai-Lou; Lian, Chen; Yang, Guo-Yu","A Zr-added Dawson-type poly(polyoxometalate).","Dalton transactions (Cambridge, England : 2003)","2023","52","4","857","861","10.1039/d2dt03820j","","","0.71073","MoKα","","0.15","0.0737","","","0.1581","0.1903","","","","","","0.972","","","","has coordinates","283276","2023-05-05","01:57:03",""
"7712002","21.479","0.004","7.9353","0.0016","32.66","0.006","90","","105.015","0.004","90","","5376.6","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 Cd N3 O16 -","- C44 H41 Cd N2 O13 -","- C176 H164 Cd4 N8 O52 -","4","1","","Jiang, Wei; Gao, Baihui; Yan, Guosong; Xu, Shichong; Chu, Xianyu; Che, Guangbo; Liu, Bo; Lu, Ming; Liu, Chunbo","Ferric ion substitution renders cadmium metal-organic framework derivatives for modulated Li storage based on local oxidation active centers.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","754","762","10.1039/d2dt03392e","","","0.71073","MoKα","","0.123","0.0583","","","0.1404","0.1695","","","","","","0.938","","","","has coordinates","283339","2023-05-05","02:39:46",""
"7712003","7.5401","0.0001","14.8916","0.0003","23.1878","0.0004","90","","94.963","0.002","90","","2593.86","0.08","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 F6 N P Ru -","- C24 H30 Cl2 F6 N P Ru -","- C96 H120 Cl8 F24 N4 P4 Ru4 -","4","1","","Hou, Zhilin; Vanecek, Allison S.; Tepe, Jetze J.; Odom, Aaron L.","Synthesis, structure, properties, and cytotoxicity of a (quinoline)RuCp<sup>+</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","721","730","10.1039/d2dt03484k","","x-ray","0.71073","MoKα","","0.0467","0.0404","","","0.1259","0.1363","","","","","","1.104","","","","has coordinates","283338","2023-05-05","02:39:22",""
"7712004","6.0246","0.0002","23.5732","0.001","12.3531","0.0005","90","","101.095","0.002","90","","1721.59","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Dy N2 O9 -","- C39 H35 Dy N2 O9 -","- C78 H70 Dy2 N4 O18 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0326","0.0308","","","0.0726","0.0736","","","","","","1.141","","","","has coordinates","283266","2023-05-05","01:53:20",""
"7712005","6.0481","0.0003","23.7053","0.0012","12.2981","0.0006","90","","100.971","0.002","90","","1730.98","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Eu N2 O9 -","- C39 H35 Eu N2 O9 -","- C78 H70 Eu2 N4 O18 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0666","0.0394","","","0.066","0.0817","","","","","","1.09","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712006","6.0523","0.0002","23.782","0.0009","12.2968","0.0004","90","","101.027","0.001","90","","1737.27","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N2 O9 Sm -","- C39 H35 N2 O9 Sm -","- C78 H70 N4 O18 Sm2 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0189","0.0179","","","0.0399","0.0405","","","","","","1.128","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712007","6.0348","0.0003","23.6379","0.0012","12.3125","0.0007","90","","101.13","0.002","90","","1723.34","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N2 O9 Tb -","- C39 H35 N2 O9 Tb -","- C78 H70 N4 O18 Tb2 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0123","0.0118","","","0.0278","0.0281","","","","","","1.02","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712008","6.0472","0.0003","23.7026","0.0011","12.3102","0.0006","90","","100.945","0.002","90","","1732.38","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Eu N2 O9 -","- C39 H35 Eu N2 O9 -","- C78 H70 Eu2 N4 O18 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0386","0.032","","","0.0581","0.0614","","","","","","1.109","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712009","6.0361","0.0003","23.618","0.001","12.3265","0.0005","90","","100.962","0.002","90","","1725.21","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N2 O9 Tb -","- C39 H35 N2 O9 Tb -","- C78 H70 N4 O18 Tb2 -","2","1","","Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon","Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1122","1132","10.1039/d2dt03356a","","","0.71073","MoKα","","0.0271","0.0259","","","0.057","0.0575","","","","","","1.154","","","","has coordinates","283266","2023-05-05","01:53:21",""
"7712010","8.5317","0.0003","8.6151","0.0003","9.14","0.0003","92.616","0.001","93.146","0.001","99.818","0.001","659.93","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N14 O4 -","- C8 H6 N14 O4 -","- C16 H12 N28 O8 -","2","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Facile synthesis of thermally stable tetrazolo[1,5-<i>b</i>][1,2,4]triazine substituted energetic materials: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","747","753","10.1039/d2dt03814e","","","0.71073","MoKα","","0.0444","0.0377","","","0.0869","0.0913","","","","","","1.057","","","","has coordinates","283344","2023-05-05","02:40:58",""
"7712011","10.633","0.002","5.9796","0.0013","12.194","0.003","90","","105.972","0.006","90","","745.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N9 O -","- C4 H5 N9 O -","- C16 H20 N36 O4 -","4","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Facile synthesis of thermally stable tetrazolo[1,5-<i>b</i>][1,2,4]triazine substituted energetic materials: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","747","753","10.1039/d2dt03814e","","","0.71073","MoKα","","0.0564","0.0435","","","0.1039","0.1118","","","","","","1.058","","","","has coordinates","283344","2023-05-05","02:41:03",""
"7712012","6.6541","0.0013","9.5463","0.0018","10.9893","0.0019","105.143","0.006","92.926","0.007","96.537","0.007","667.1","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H11 N15 O3 -","- C7 H11 N15 O3 -","- C14 H22 N30 O6 -","2","1","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Facile synthesis of thermally stable tetrazolo[1,5-<i>b</i>][1,2,4]triazine substituted energetic materials: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","747","753","10.1039/d2dt03814e","","","0.71073","MoKα","","0.0496","0.0386","","","0.0964","0.1034","","","","","","1.038","","","","has coordinates","283344","2023-05-05","02:41:03",""
"7712013","5.4454","0.0003","13.7553","0.0007","16.708","0.0009","100.096","0.002","98.259","0.002","94.944","0.002","1211.33","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N10 O2 S -","- C7 H10 N10 O2 S -","- C28 H40 N40 O8 S4 -","4","2","","Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas","Facile synthesis of thermally stable tetrazolo[1,5-<i>b</i>][1,2,4]triazine substituted energetic materials: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","747","753","10.1039/d2dt03814e","","","0.71073","MoKα","","0.053","0.0418","","","0.088","0.0921","","","","","","1.099","","","","has coordinates","283344","2023-05-05","02:41:03",""
"7712014","12.0937","0.0003","17.3507","0.0005","19.0102","0.0006","90","","90","","90","","3989","0.2","150","0.2","150","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 B3 Li O P3 Sn -","- C40 H47 B3 Li O P3 Sn -","- C160 H188 B12 Li4 O4 P12 Sn4 -","4","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","x-ray","0.71073","MoKα","","0.0527","0.037","","","0.0655","0.0717","","","","","","1.043","","","","has coordinates,has disorder","283277","2023-05-05","01:57:44",""
"7712015","10.948","0.0003","15.5585","0.0003","20.1127","0.0005","90","","94.156","0.002","90","","3416.88","0.14","150","0.2","150","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H61 B3 Na O P3 Sn -","- C22 H61 B3 Na O P3 Sn -","- C88 H244 B12 Na4 O4 P12 Sn4 -","4","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","x-ray","0.71073","MoKα","","0.0552","0.0349","","","0.0685","0.0784","","","","","","1.078","","","","has coordinates","283277","2023-05-05","01:57:45",""
"7712016","12.40488","0.00009","20.31668","0.00013","17.70719","0.00013","90","","109.991","0.0008","90","","4193.79","0.06","150","0.2","150","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H75 B3 Li O3 P3 Sn -","- C29.9996 H74.9992 B3 Li O3 P3 Sn -","- C119.998 H299.997 B12 Li4 O12 P12 Sn4 -","4","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","","1.54184","CuKα","","0.0347","0.0274","","","0.0625","0.0664","","","","","","1.036","","","","has coordinates,has disorder","283277","2023-05-05","01:57:45",""
"7712017","12.5263","0.0004","12.841","0.0006","16.3428","0.0005","83.991","0.003","75.367","0.003","62.619","0.004","2258.32","0.17","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H114 B6 K2 O4 P6 Sn2 -","- C88 H114 B6 K2 O4 P6 Sn2 -","- C88 H114 B6 K2 O4 P6 Sn2 -","1","0.5","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","x-ray","0.71073","MoKα","","0.0651","0.0399","","","0.0727","0.0811","","","","","","1.025","","","","has coordinates,has disorder","283277","2023-05-05","01:57:45",""
"7712018","12.1003","0.0002","19.4551","0.0004","21.1123","0.0004","113.103","0.0019","93.1405","0.0017","91.4023","0.0016","4558.92","0.16","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 B3 Na O2 P3 Sn -","- C43.9992 H56.9984 B3 Na O1.9998 P3 Sn -","- C175.997 H227.994 B12 Na4 O7.9992 P12 Sn4 -","4","2","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","x-ray","0.71073","MoKα","","0.0659","0.0372","","","0.07","0.0798","","","","","","1.011","","","","has coordinates,has disorder","283277","2023-05-05","01:57:45",""
"7712019","11.09083","0.00013","15.64326","0.00017","20.3678","0.0003","90","","95.5136","0.001","90","","3517.4","0.08","150","0.2","150","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H61 B3 K O P3 Sn -","- C22 H61 B3 K O P3 Sn -","- C88 H244 B12 K4 O4 P12 Sn4 -","4","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","x-ray","0.71073","MoKα","","0.037","0.0237","","","0.0423","0.0461","","","","","","1.066","","","","has coordinates","283277","2023-05-05","01:57:45",""
"7712020","17.1453","0.0003","19.0113","0.0002","30.2806","0.0005","90","","90","","90","","9870.1","0.3","150","0.2","150","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H77 B3 Li O4 P3 Sn -","- C43 H77 B3 Li O4 P3 Sn -","- C344 H616 B24 Li8 O32 P24 Sn8 -","8","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","","0.71073","MoKα","","0.0773","0.0397","","","0.0795","0.0931","","","","","","1.01","","","","has coordinates,has disorder","283277","2023-05-05","01:57:55",""
"7712021","5.4887","0.0004","27.154","0.002","6.7732","0.0005","90","","107.148","0.003","90","","964.6","0.12","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cd6 K O24 P7 -","- Cd6 K O24 P7 -","- Cd12 K2 O48 P14 -","2","0.5","","Cai, Bingjie; Dou, Danyang; Zhang, Bingbing; Li, Ling; Wang, Ying","Cadmium phosphates with two types of fundamental building units and a wide ultraviolet transparency window.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","862","865","10.1039/d2dt03974e","","x-ray","0.71073","MoKα","","0.0367","0.033","","","0.0677","0.0691","","","","","","1.268","","","","has coordinates","283267","2023-05-05","01:53:29",""
"7712022","8.2828","0.0003","9.166","0.0003","12.4341","0.0005","90","","90","","90","","944","0.06","273.15","","273.15","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Cd3 K O11 P3 -","- Cd3 K O11 P3 -","- Cd12 K4 O44 P12 -","4","0.5","","Cai, Bingjie; Dou, Danyang; Zhang, Bingbing; Li, Ling; Wang, Ying","Cadmium phosphates with two types of fundamental building units and a wide ultraviolet transparency window.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","862","865","10.1039/d2dt03974e","","","0.71073","MoKα","","0.0192","0.0166","","","0.039","0.0404","","","","","","1.127","","","","has coordinates","283267","2023-05-05","01:53:29",""
"7712023","10.494","0.007","15.943","0.01","22.151","0.015","90","","92.845","0.012","90","","3701","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 F12 N8 P2 Ru -","- C29 H30 F12 N8 P2 Ru -","- C116 H120 F48 N32 P8 Ru4 -","4","1","","Chen, Chao; Lv, He; Xu, Hao; Zhu, Dancheng; Shen, Chao","Cyclometalated Ru(II)-NHC complexes with phenanthroline ligands induce apoptosis mediated by mitochondria and endoplasmic reticulum stress in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1671","1679","10.1039/d2dt03405k","","","0.71073","MoKα","","0.0758","0.0495","","","0.1316","0.1615","","","","","","1.069","","","","has coordinates","283306","2023-05-05","02:19:56",""
"7712024","17.9763","0.0009","11.8371","0.0006","18.6576","0.0012","90","","107.175","0.006","90","","3793.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 F12 N7 P2 Ru -","- C35 H29 F12 N7 P2 Ru -","- C140 H116 F48 N28 P8 Ru4 -","4","1","","Chen, Chao; Lv, He; Xu, Hao; Zhu, Dancheng; Shen, Chao","Cyclometalated Ru(II)-NHC complexes with phenanthroline ligands induce apoptosis mediated by mitochondria and endoplasmic reticulum stress in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1671","1679","10.1039/d2dt03405k","","","0.71073","MoKα","","0.0864","0.0596","","","0.1501","0.1797","","","","","","1.056","","","","has coordinates","283306","2023-05-05","02:19:57",""
"7712025","11.7572","0.0016","13.3532","0.0018","15.822","0.002","88.786","0.002","70.759","0.002","84.588","0.002","2334.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 F12 N7 P2 Ru -","- C39 H37 F12 N7 P2 Ru -","- C78 H74 F24 N14 P4 Ru2 -","2","1","","Chen, Chao; Lv, He; Xu, Hao; Zhu, Dancheng; Shen, Chao","Cyclometalated Ru(II)-NHC complexes with phenanthroline ligands induce apoptosis mediated by mitochondria and endoplasmic reticulum stress in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1671","1679","10.1039/d2dt03405k","","","0.71073","MoKα","","0.0656","0.0557","","","0.1448","0.1511","","","","","","1.042","","","","has coordinates","283306","2023-05-05","02:19:57",""
"7712026","11.1717","0.0006","12.5812","0.0007","18.4997","0.0006","101.742","0.004","93.676","0.003","103.871","0.005","2454","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 F12 N7 P2 Ru -","- C47 H37 F12 N7 P2 Ru -","- C94 H74 F24 N14 P4 Ru2 -","2","1","","Chen, Chao; Lv, He; Xu, Hao; Zhu, Dancheng; Shen, Chao","Cyclometalated Ru(II)-NHC complexes with phenanthroline ligands induce apoptosis mediated by mitochondria and endoplasmic reticulum stress in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1671","1679","10.1039/d2dt03405k","","","0.71073","MoKα","","0.0957","0.0641","","","0.1498","0.1638","","","","","","1.06","","","","has coordinates","283306","2023-05-05","02:19:57",""
"7712027","6.0251","0.0001","6.7106","0.0002","11.4878","0.0003","79.515","0.001","76.457","0.001","77.525","0.001","436.655","0.019","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 N O3 Re -","- C7 H9 N O3 Re -","- C14 H18 N2 O6 Re2 -","2","1","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1030","1035","10.1039/d2dt03819f","","","0.71073","MoKα","","0.0207","0.0186","","","0.0441","0.045","","","","","","1.056","","","","has coordinates","283265","2023-05-05","01:53:09",""
"7712028","19.6709","0.0019","8.1455","0.0007","10.5288","0.0009","90","","103.923","0.007","90","","1637.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 O8 Re2 -","- C12 H14 N2 O8 Re2 -","- C48 H56 N8 O32 Re8 -","4","0.5","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1030","1035","10.1039/d2dt03819f","","","0.71073","MoKα","","0.034","0.0224","","","0.0522","0.0561","","","","","","1.038","","","","has coordinates","283265","2023-05-05","01:53:09",""
"7712029","6.6506","0.0007","7.53","0.0008","9.1546","0.001","94.188","0.006","96.753","0.007","105.647","0.007","435.76","0.08","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","1,2-di(pyridine-4-yl)ethane.1,2-diiodotetrafluoroethane","","- C13 H12 F4 I2 N2 -","- C13 H12 F4 I2 N2 -","- C13 H12 F4 I2 N2 -","1","0.5","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1030","1035","10.1039/d2dt03819f","","","0.71073","MoKα","","0.054","0.035","","","0.095","0.1055","","","","","","1.034","","","","has coordinates,has disorder","283265","2023-05-05","01:53:09",""
"7712030","9.7251","0.0009","9.6283","0.0009","31.118","0.003","90","","96.23","0.005","90","","2896.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 N2 O6 Re2 -","- C8 H18 N2 O6 Re2 -","- C64 H144 N16 O48 Re16 -","8","2","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1030","1035","10.1039/d2dt03819f","","","0.71073","MoKα","","0.0851","0.0528","","","0.095","0.1043","","","","","","1.076","","","","has coordinates","283265","2023-05-05","01:53:09",""
"7712031","9.0455","0.0005","10.9263","0.0006","8.6505","0.0005","90","","110.156","0.002","90","","802.6","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N2 O4 Re -","- C5 H7 N2 O4 Re -","- C20 H28 N8 O16 Re4 -","4","1","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1030","1035","10.1039/d2dt03819f","","","0.71073","MoKα","","0.0245","0.0234","","","0.0656","0.0664","","","","","","1.048","","","","has coordinates","283265","2023-05-05","01:53:09",""
"7712032","11.5156","0.0012","14.7449","0.0015","19.327","0.002","90","","102.805","0.005","90","","3200","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H42 N2 O13 Zn3 -","- C62 H42 N2 O13 Zn3 -","- C124 H84 N4 O26 Zn6 -","2","0.5","","Das, Moyna; Jaswal, Vishakha; Bhambri, Himanshi; Das, Prasenjit; Maity, Suvendu; Ghosh, Prasanta; Mandal, Sanjay K.; Sarkar, Madhushree","Two pillared-layer metal-organic frameworks based on the pinwheel trinuclear carboxylate-clusters of Zn(II) and Co(II): synthesis, crystal structures, magnetic study, and Lewis acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1449","1460","10.1039/d2dt04106e","","","0.71073","MoKα","","0.1505","0.0991","","","0.2634","0.2952","","","","","","1.066","","","","has coordinates","283253","2023-05-05","01:49:21",""
"7712033","19.8959","0.0012","13.9672","0.001","24.4832","0.0016","90","","109.133","0.003","90","","6427.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H50.5 Co3 N3.5 O13.5 -","- C66.5 H50.5 Co3 N3.5 O13.5 -","- C266 H202 Co12 N14 O54 -","4","1","","Das, Moyna; Jaswal, Vishakha; Bhambri, Himanshi; Das, Prasenjit; Maity, Suvendu; Ghosh, Prasanta; Mandal, Sanjay K.; Sarkar, Madhushree","Two pillared-layer metal-organic frameworks based on the pinwheel trinuclear carboxylate-clusters of Zn(II) and Co(II): synthesis, crystal structures, magnetic study, and Lewis acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1449","1460","10.1039/d2dt04106e","","","0.71073","MoKα","","0.1009","0.088","","","0.2633","0.2767","","","","","","1.098","","","","has coordinates","283253","2023-05-05","01:49:21",""
"7712034","19.4037","0.0011","20.087","0.0008","21.2918","0.0011","90","","114.772","0.006","90","","7535.1","0.7","293","0.1","293","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H54 Dy2 F24 N2 O16 -","- C68 H54 Dy2 F24 N2 O16 -","- C272 H216 Dy8 F96 N8 O64 -","4","1","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.1507","0.077","","","0.1766","0.2294","","","","","","1.013","","","","has coordinates","283254","2023-05-05","01:49:51",""
"7712035","19.5237","0.0005","20.9359","0.0004","21.2684","0.001","90","","117.146","0.005","90","","7735.8","0.6","293","0.2","293","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H38 Dy2 F18 N8 O12 -","- C78 H38 Dy2 F18 N8 O12 -","- C312 H152 Dy8 F72 N32 O48 -","4","0.5","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.056","0.0464","","","0.124","0.1325","","","","","","1.022","","","","has coordinates,has disorder","283254","2023-05-05","01:49:51",""
"7712036","17.5572","0.0005","18.9503","0.0006","21.1019","0.0007","90","","90","","90","","7020.9","0.4","293","0.2","293","0.2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C66 H34 Dy2 F18 N4 O12 -","- C66 H34 Dy2 F18 N4 O12 -","- C264 H136 Dy8 F72 N16 O48 -","4","0.5","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.0589","0.0485","","","0.1284","0.1383","","","","","","1.025","","","","has coordinates","283254","2023-05-05","01:49:51",""
"7712037","19.5484","0.0006","21.4427","0.0006","18.8657","0.0007","90","","118.708","0.004","90","","6935.9","0.5","293","0.2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H42 Dy2 F18 N4 O12 -","- C66 H42 Dy2 F18 N4 O12 -","- C264 H168 Dy8 F72 N16 O48 -","4","1","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.0746","0.0532","","","0.1374","0.1544","","","","","","1.015","","","","has coordinates","283254","2023-05-05","01:49:51",""
"7712038","11.799","0.0005","27.8502","0.0008","11.8914","0.0004","90","","102.167","0.004","90","","3819.8","0.2","293","0.2","293","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H38 Dy2 F18 N8 O12 -","- C78 H38 Dy2 F18 N8 O12 -","- C156 H76 Dy4 F36 N16 O24 -","2","1","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.0541","0.0386","","","0.0602","0.0664","","","","","","0.881","","","","has coordinates,has disorder","283254","2023-05-05","01:49:51",""
"7712039","36.8903","0.0011","13.0524","0.0002","17.0048","0.0004","90","","116.872","0.003","90","","7303.8","0.4","293","0.2","293","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Dy2 F18 N4 O12 -","- C66 H42 Dy2 F18 N4 O12 -","- C264 H168 Dy8 F72 N16 O48 -","4","0.5","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.0338","0.0312","","","0.0812","0.083","","","","","","1.032","","","","has coordinates,has disorder","283254","2023-05-05","01:49:51",""
"7712040","10.0834","0.0006","21.4549","0.0011","45.363","0.002","90","","93.385","0.005","90","","9796.6","0.9","293","0.2","293","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H50 Dy2 F18 N4 O12 -","- C90 H50 Dy2 F18 N4 O12 -","- C360 H200 Dy8 F72 N16 O48 -","4","1","","Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei","Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy<sub>2</sub> supramolecular architectures constructed with the bis-β-diketonate-Dy<sub>2</sub> building block as a metalloligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1366","1377","10.1039/d2dt03468a","","x-ray","1.54184","CuKα","","0.1359","0.0657","","","0.1419","0.1805","","","","","","0.969","","","","has coordinates,has disorder","283254","2023-05-05","01:49:51",""
"7712041","14.7154","0.0018","12.7433","0.0012","12.6692","0.0015","90","","99.767","0.011","90","","2341.3","0.5","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H26 Br Cu N6 O8 S2 -","- C16 H26 Br Cu N6 O8 S2 -","- C64 H104 Br4 Cu4 N24 O32 S8 -","4","0.5","","Ramírez-Palma, Lillian G; Castro-Ramírez, Rodrigo; Lozano-Ramos, León; Galindo-Murillo, Rodrigo; Barba-Behrens, Norah; Cortés-Guzmán, Fernando","DNA recognition site of anticancer tinidazole copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2087","2097","10.1039/d2dt02854a","","","0.71073","MoKα","","0.0565","0.0419","","","0.0896","0.0984","","","","","","1.037","","","","has coordinates","283317","2023-05-05","02:22:53",""
"7712042","7.3406","0.0004","15.4425","0.0007","14.667","0.0009","90","","102.687","0.006","90","","1622.02","0.16","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Co N16 O -","- C8 H12 Co N16 O -","- C32 H48 Co4 N64 O4 -","4","1","","Xie, Hao-Hui; Wang, Qin; Weng, Jiao-Lin; Yan, Yun-Fan; Bian, Hong-Yi; Huang, Ying; Zheng, Fa-Kun; Qiu, Ren-Hui; Xu, Jian-Gang","Coordination polymerization of nitrogen-rich linkers and dicyanamide anions toward energetic coordination polymers with low sensitivities.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","818","824","10.1039/d2dt03180a","","x-ray","0.71073","MoKα","","0.047","0.0403","","","0.1002","0.1036","","","","","","1.069","","","","has coordinates","283335","2023-05-05","02:37:45",""
"7712043","6.9693","0.0002","8.9384","0.0003","13.161","0.0004","90","","100.171","0.003","90","","806.97","0.04","296.03","0.1","296.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cd N16 -","- C8 H10 Cd N16 -","- C16 H20 Cd2 N32 -","2","0.5","","Xie, Hao-Hui; Wang, Qin; Weng, Jiao-Lin; Yan, Yun-Fan; Bian, Hong-Yi; Huang, Ying; Zheng, Fa-Kun; Qiu, Ren-Hui; Xu, Jian-Gang","Coordination polymerization of nitrogen-rich linkers and dicyanamide anions toward energetic coordination polymers with low sensitivities.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","818","824","10.1039/d2dt03180a","","x-ray","0.71073","MoKα","","0.028","0.022","","","0.0578","0.0615","","","","","","1.096","","","","has coordinates","283335","2023-05-05","02:37:48",""
"7712044","7.528","0.0006","8.7978","0.0011","13.4483","0.0009","93.655","0.007","93.742","0.006","110.729","0.009","827.64","0.14","298.21","0.1","298.21","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cd N16 -","- C8 H10 Cd N16 -","- C16 H20 Cd2 N32 -","2","1","","Xie, Hao-Hui; Wang, Qin; Weng, Jiao-Lin; Yan, Yun-Fan; Bian, Hong-Yi; Huang, Ying; Zheng, Fa-Kun; Qiu, Ren-Hui; Xu, Jian-Gang","Coordination polymerization of nitrogen-rich linkers and dicyanamide anions toward energetic coordination polymers with low sensitivities.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","818","824","10.1039/d2dt03180a","","x-ray","0.71073","MoKα","","0.0358","0.0269","","","0.0668","0.0716","","","","","","1.041","","","","has coordinates","283335","2023-05-05","02:37:57",""
"7712045","11.5555","0.0006","7.8169","0.0003","11.9927","0.0005","90","","93.854","0.004","90","","1080.83","0.08","296.76","0.1","296.76","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cu N11 -","- C6 H5 Cu N11 -","- C24 H20 Cu4 N44 -","4","1","","Xie, Hao-Hui; Wang, Qin; Weng, Jiao-Lin; Yan, Yun-Fan; Bian, Hong-Yi; Huang, Ying; Zheng, Fa-Kun; Qiu, Ren-Hui; Xu, Jian-Gang","Coordination polymerization of nitrogen-rich linkers and dicyanamide anions toward energetic coordination polymers with low sensitivities.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","818","824","10.1039/d2dt03180a","","x-ray","0.71073","MoKα","","0.0547","0.0391","","","0.0955","0.1023","","","","","","1.077","","","","has coordinates","283335","2023-05-05","02:38:00",""
"7712046","17.488","0.0012","17.6703","0.0012","30.473","0.002","90.275","0.005","96.68","0.005","93.511","0.005","9334.6","1.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C120 H221 Ag15 Cu12 O6 S18 -","- C120 H221 Ag15 Cu12 O6 S18 -","- C240 H442 Ag30 Cu24 O12 S36 -","2","1","","Lin, Zhenzhen; Zhang, Ting; Fang, Cao; Jin, Shan; Xu, Chang; Hu, Daqiao; Zhu, Manzhou","A bimetallic Ag<sub>15</sub>Cu<sub>12</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>18</sub>(CH<sub>3</sub>COO)<sub>3</sub> nanocluster featuring an irregular Ag<sub>12</sub> kernel.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","971","976","10.1039/d2dt03423a","","","1.54186","CuKα","","0.1055","0.0772","","","0.1997","0.2341","","","","","","0.993","","","","has coordinates","283273","2023-05-05","01:55:04",""
"7712047","8.2321","0.0003","9.2196","0.0003","15.2213","0.0004","89.117","0.003","88.201","0.002","78.949","0.003","1133.21","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H24 Bi Br5 O S3 -","- C8 H24 Bi Br5 O S3 -","- C16 H48 Bi2 Br10 O2 S6 -","2","1","","Das, Suman S.; Pradhan, Abinash; Samal, Saroj L.","Solvent-mediated crystallization of (TMS)<sub>2</sub>BiBr<sub>5</sub>·DMSO: a new 0D hybrid halide perovskite.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1777","1784","10.1039/d2dt03803j","","x-ray","0.71073","MoKα","","0.0542","0.0396","","","0.0961","0.1004","","","","","","1.073","","","","has coordinates,has disorder","283308","2023-05-05","02:20:37",""
"7712048","8.937","0.0017","16.024","0.003","19.794","0.004","90","","92.782","0.003","90","","2831.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 F6 Fe N5 O7 S2 -","- C17 H29 F6 Fe N5 O6 S2 -","- C68 H116 F24 Fe4 N20 O24 S8 -","4","1","","Mitra, Mainak; Brinkmeier, Alexander; Li, Yong; Borrell, Margarida; Call, Arnau; Lloret Fillol, Julio; Richmond, Michael G.; Costas, Miquel; Nordlander, Ebbe","An investigation of steric influence on the reactivity of Fe<sup>V</sup>(O)(OH) tautomers in stereospecific C-H hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3596","3609","10.1039/d2dt00725h","","","0.71073","MoKα","","0.0976","0.0576","","","0.1346","0.1493","","","","","","1.096","","","","has coordinates","283331","2023-05-05","02:35:59",""
"7712049","14.9997","0.0011","16.0731","0.0009","17.9157","0.0008","90","","95.104","0.005","90","","4302.2","0.4","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 B F7 Ni O P2 -","- C43 H36 B F7 Ni O P2 -","- C172 H144 B4 F28 Ni4 O4 P8 -","4","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C","Multifaceted role of silver salts as ligand scavengers and different behavior of nickel and palladium complexes: beyond halide abstraction.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1425","1432","10.1039/d2dt03948f","","x-ray","0.71073","MoKα","","0.1724","0.0833","","","0.1833","0.225","","","","","","1.028","","","","has coordinates","283259","2023-05-05","01:51:06",""
"7712050","13.0312","0.001","13.154","0.0013","14.7181","0.0006","81.84","0.005","86.385","0.005","63.64","0.009","2237.7","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H2 F6 Ni2 O2 P2 -","- C50 H2 F6 Ni2 O2 P2 -","- C100 H4 F12 Ni4 O4 P4 -","2","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C","Multifaceted role of silver salts as ligand scavengers and different behavior of nickel and palladium complexes: beyond halide abstraction.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1425","1432","10.1039/d2dt03948f","","x-ray","0.71073","MoKα","","0.1539","0.0766","","","0.1771","0.2273","","","","","","1.036","","","","has coordinates","283259","2023-05-05","01:51:07",""
"7712051","16.7171","0.0006","14.3676","0.0006","37.0248","0.0011","90","","90","","90","","8892.8","0.6","293","2","293","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C34 H35 B Cl6 F7 Ni O P S -","- C34 H35 B Cl6 F7 Ni O P S -","- C272 H280 B8 Cl48 F56 Ni8 O8 P8 S8 -","8","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C","Multifaceted role of silver salts as ligand scavengers and different behavior of nickel and palladium complexes: beyond halide abstraction.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1425","1432","10.1039/d2dt03948f","","x-ray","0.71073","MoKα","","0.1476","0.0896","","","0.2418","0.2851","","","","","","1.034","","","","has coordinates","283259","2023-05-05","01:51:07",""
"7712052","17.0548","0.0008","18.1638","0.0008","19.8406","0.0009","90","","97.298","0.003","90","","6096.4","0.5","173","2","173.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Ir N5 O2 -","- C66 H48 Ir N5 O2 -","- C264 H192 Ir4 N20 O8 -","4","1","","Tong, Jialin; Yang, Xinyue; Song, Xiaoxian; Liang, Jie; Huang, Shanshan; Mao, Huiting; Akhtar, Mansoor; Liu, Ao; Shan, Guo-Gang; Li, Guangfu","AIE-active Ir(III) complexes as type-I dominant photosensitizers for efficient photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1105","1112","10.1039/d2dt03404b","","x-ray","1.54178","CuKα","","0.0533","0.0377","","","0.078","0.0834","","","","","","1.034","","","","has coordinates","283279","2023-05-05","01:58:43",""
"7712053","19.1462","0.0011","14.077","0.0008","22.2847","0.0013","90","","104.354","0.003","90","","5818.7","0.6","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16.25 H16.25 Cl16.25 Ir16.25 N16.25 O16.25 -","- C66 H48 Ir N5 O2 -","- C264 H192 Ir4 N20 O8 -","4","1","","Tong, Jialin; Yang, Xinyue; Song, Xiaoxian; Liang, Jie; Huang, Shanshan; Mao, Huiting; Akhtar, Mansoor; Liu, Ao; Shan, Guo-Gang; Li, Guangfu","AIE-active Ir(III) complexes as type-I dominant photosensitizers for efficient photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1105","1112","10.1039/d2dt03404b","","x-ray","1.54178","CuKα","","0.0356","0.0285","","","0.0961","0.1022","","","","","","0.824","","","","has coordinates","283279","2023-05-05","01:58:56",""
"7712054","16.8482","0.0008","18.347","0.0009","22.5335","0.001","90","","90","","90","","6965.4","0.6","297","2","297.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H52 Ir N5 O2 -","- C86 H52 Ir N5 O2 -","- C344 H208 Ir4 N20 O8 -","4","1","","Tong, Jialin; Yang, Xinyue; Song, Xiaoxian; Liang, Jie; Huang, Shanshan; Mao, Huiting; Akhtar, Mansoor; Liu, Ao; Shan, Guo-Gang; Li, Guangfu","AIE-active Ir(III) complexes as type-I dominant photosensitizers for efficient photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1105","1112","10.1039/d2dt03404b","","x-ray","1.54178","CuKα","","0.0446","0.0378","","","0.0905","0.0949","","","","","","1.02","","","","has coordinates","283279","2023-05-05","01:58:58",""
"7712055","11.7656","0.0003","12.2782","0.0002","17.0512","0.0003","105.46","0.0016","96.9097","0.0019","95.2546","0.0018","2337.09","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H31 Cl5 F12 Ir N O2 P2 -","- C47 H31 Cl5 F12 Ir N O2 P2 -","- C94 H62 Cl10 F24 Ir2 N2 O4 P4 -","2","1","","Poole, Ethan W.; Bustos, Itxaso; Hood, Thomas M.; Smart, Jennifer E.; Chaplin, Adrian B.","Iridium complexes of an <i>ortho</i>-trifluoromethylphenyl substituted PONOP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1096","1104","10.1039/d2dt03608h","","x-ray","1.54184","CuKα","","0.0359","0.0352","","","0.0933","0.0941","","","","","","1.048","","","","has coordinates","283274","2023-05-05","01:55:29",""
"7712056","13.06139","0.00017","16.8397","0.0002","20.1252","0.0003","70.0356","0.0013","85.556","0.0011","67.5931","0.0013","3839.33","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H43 B F36 Ir N O2 P2 -","- C71 H43 B F36 Ir N O2 P2 -","- C142 H86 B2 F72 Ir2 N2 O4 P4 -","2","1","","Poole, Ethan W.; Bustos, Itxaso; Hood, Thomas M.; Smart, Jennifer E.; Chaplin, Adrian B.","Iridium complexes of an <i>ortho</i>-trifluoromethylphenyl substituted PONOP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1096","1104","10.1039/d2dt03608h","","x-ray","1.54184","CuKα","","0.0654","0.0625","","","0.1692","0.174","","","","","","1.021","","","","has coordinates,has disorder","283274","2023-05-05","01:55:30",""
"7712057","13.06139","0.00017","16.8397","0.0002","20.1252","0.0003","70.0356","0.0013","85.556","0.0011","67.5931","0.0013","3839.33","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.5 H49 B F36 Ir N O2 P2 -","- C71 H43 B F36 Ir N O2 P2 -","- C142 H86 B2 F72 Ir2 N2 O4 P4 -","2","1","","Poole, Ethan W.; Bustos, Itxaso; Hood, Thomas M.; Smart, Jennifer E.; Chaplin, Adrian B.","Iridium complexes of an <i>ortho</i>-trifluoromethylphenyl substituted PONOP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1096","1104","10.1039/d2dt03608h","","x-ray","1.54184","CuKα","","0.0654","0.0625","","","0.1692","0.1739","","","","","","1.02","","","","has coordinates,has disorder","283274","2023-05-05","01:55:30",""
"7712058","13.84188","0.00016","16.00726","0.00018","18.2641","0.0002","83.9191","0.001","81.3532","0.001","79.1239","0.001","3916.37","0.08","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H41 B Cl2 F36 Ir N O2 P2 -","- C78 H41 B Cl2 F36 Ir N O2 P2 -","- C156 H82 B2 Cl4 F72 Ir2 N2 O4 P4 -","2","1","","Poole, Ethan W.; Bustos, Itxaso; Hood, Thomas M.; Smart, Jennifer E.; Chaplin, Adrian B.","Iridium complexes of an <i>ortho</i>-trifluoromethylphenyl substituted PONOP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1096","1104","10.1039/d2dt03608h","","x-ray","1.54184","CuKα","","0.0377","0.0365","","","0.096","0.0975","","","","","","1.032","","","","has coordinates,has disorder","283274","2023-05-05","01:55:30",""
"7712059","13.31679","0.00012","16.5892","0.00016","18.86855","0.00017","78.4747","0.0008","78.8231","0.0008","75.6702","0.0008","3911.19","0.07","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C79 H41 B Cl2 F36 Ir N O3 P2 -","- C79 H41 B Cl2 F36 Ir N O3 P2 -","- C158 H82 B2 Cl4 F72 Ir2 N2 O6 P4 -","2","1","","Poole, Ethan W.; Bustos, Itxaso; Hood, Thomas M.; Smart, Jennifer E.; Chaplin, Adrian B.","Iridium complexes of an <i>ortho</i>-trifluoromethylphenyl substituted PONOP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1096","1104","10.1039/d2dt03608h","","x-ray","1.54184","CuKα","","0.0312","0.0304","","","0.0753","0.0759","","","","","","1.044","","","","has coordinates,has disorder","283274","2023-05-05","01:55:30",""
"7712060","11.5803","0.0008","13.1966","0.0008","16.1427","0.0011","67.95","0.002","79.118","0.002","70.65","0.002","2151.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N8 O20 Re4 -","- C96 H72 N8 O20 Re4 -","- C96 H72 N8 O20 Re4 -","1","0.5","","Nurnabi, Mohammad; Gurusamy, Shunmugasundaram; Wu, Jing-Yun; Lee, Chung-Chou; Sathiyendiran, Malaichamy; Huang, Sheng-Ming; Chang, Che-Hao; Chao, Ito; Lee, Gene-Hsiang; Peng, Shie-Ming; Sathish, Veerasamy; Thanasekaran, Pounraj; Lu, Kuang-Lieh","Aggregation-induced emission enhancement (AIEE) of tetrarhenium(I) metallacycles and their application as luminescent sensors for nitroaromatics and antibiotics.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1939","1949","10.1039/d2dt03408e","","","0.71073","MoKα","","0.0503","0.0333","","","0.08","0.0874","","","","","","1.042","","","","has coordinates","283321","2023-05-05","02:23:53",""
"7712061","15.7647","0.0009","14.9159","0.0008","22.4345","0.0013","90","","90.631","0.001","90","","5275","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C117 H96 N8 O22 Re4 -","- C117 H96 N8 O22 Re4 -","- C234 H192 N16 O44 Re8 -","2","0.5","","Nurnabi, Mohammad; Gurusamy, Shunmugasundaram; Wu, Jing-Yun; Lee, Chung-Chou; Sathiyendiran, Malaichamy; Huang, Sheng-Ming; Chang, Che-Hao; Chao, Ito; Lee, Gene-Hsiang; Peng, Shie-Ming; Sathish, Veerasamy; Thanasekaran, Pounraj; Lu, Kuang-Lieh","Aggregation-induced emission enhancement (AIEE) of tetrarhenium(I) metallacycles and their application as luminescent sensors for nitroaromatics and antibiotics.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1939","1949","10.1039/d2dt03408e","","","0.71073","MoKα","","0.0975","0.0847","","","0.1811","0.1887","","","","","","1.21","","","","has coordinates,has disorder","283321","2023-05-05","02:23:53",""
"7712062","41.8616","0.0009","26.5661","0.0006","25.9164","0.0006","90","","120.855","0.001","90","","24742.4","1","120","","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C98 H101 N9 O32 Th3 -","- C80 H51 N2 O19 Th3 -","- C640 H408 N16 O152 Th24 -","8","1","","Fu, Yiran; Wang, Xue; Ju, Yu; Zheng, Zhaofa; Jian, Jie; Li, Zi-Jian; Jin, Chan; Wang, Jian-Qiang; Lin, Jian","A robust thorium-organic framework as a bifunctional platform for iodine adsorption and Cr(VI) sensitization.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1177","1181","10.1039/d2dt03623a","","","0.71073","MoKα","","0.0703","0.0477","","","0.1307","0.1405","","","","","","1.062","","","","has coordinates","283262","2023-05-05","01:52:32",""
"7712063","9.875","0.0002","9.875","0.0002","15.917","0.0006","90","","90","","120","","1344.21","0.06","372.98","0.1","372.98","0.1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C30 Br12 N4 -","- C30 Br12 N4 -","- C30 Br12 N4 -","1","0.0416667","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","1.54178","CuKα","","0.1316","0.1272","","","0.4095","0.4182","","","","","","3.719","","","","has coordinates","283300","2023-05-05","02:17:23",""
"7712064","10.2423","0.0012","10.2423","0.0012","12.5442","0.0014","90","","90","","120","","1139.6","0.2","330","2","330","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C9 I3 N -","- C9 I3 N -","- C27 I9 N3 -","3","0.0833333","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","1.54178","CuKα","","0.1414","0.1211","","","0.2973","0.3265","","","","","","1.006","","","","has coordinates","283300","2023-05-05","02:17:33",""
"7712065","16.767","0.008","9.909","0.004","15.52","0.007","90","","90","","90","","2579","2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H16 Br3 N3 -","- C1.4 H3.2 Br0.6 N0.6 -","- C56 H128 Br24 N24 -","40","10","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","0.71073","MoKα","","0.0874","0.0562","","","0.1065","0.1173","","","","","","1.064","","","","has coordinates,has disorder","283300","2023-05-05","02:17:34",""
"7712066","30.562","0.006","10.349","0.002","9.908","0.002","90","","90","","90","","3133.8","1.1","273","2","273.15","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C14 H34 I6 N6 O -","- C14 H34 I6 N6 O -","- C56 H136 I24 N24 O4 -","4","0.5","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","0.71073","MoKα","","0.0323","0.0293","","","0.0613","0.0629","","","","","","0.967","","","","has coordinates","283300","2023-05-05","02:17:36",""
"7712067","13.729","0.0014","7.362","0.0007","7.479","0.0007","90","","100.361","0.003","90","","743.6","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Mn N2 O10 -","- C14 H10 Mn N2 O10 -","- C28 H20 Mn2 N4 O20 -","2","0.5","","Rong, Hongren; Song, Peng; Gao, Gexiang; Jiang, Qingyan; Chen, Xiaojuan; Su, LiXin; Liu, Wen-Long; Liu, Qi","A three-dimensional Mn-based MOF as a high-performance supercapacitor electrode.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1962","1969","10.1039/d2dt02857c","","","0.71073","MoKα","","0.0926","0.0439","","","0.0871","0.0985","","","","","","1.061","","","","has coordinates","283318","2023-05-05","02:23:00",""
"7712068","12.9908","0.0013","14.8857","0.0013","17.3507","0.0018","90","","95.318","0.008","90","","3340.8","0.6","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","6","C 1 c 1","C -2yc","9","","","","- C20 H32 Br4 Fe4 N2 S4 -","- C20 H32 Br4 Fe4 N2 S4 -","- C80 H128 Br16 Fe16 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0682","0.051","","","0.1306","0.1494","","","","","","1.087","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712069","13.0899","0.0004","14.6471","0.0004","17.4361","0.0005","90","","96.225","0.003","90","","3323.3","0.17","173","2","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Cl1.76 Fe4 I2.24 N2 S4 -","- C20 H32 Cl1.762 Fe4 I2.237 N2 S4 -","- C80 H128 Cl7.048 Fe16 I8.948 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.039","0.0302","","","0.0488","0.0528","","","","","","1.003","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712070","12.8775","0.0005","14.714","0.0006","17.3223","0.0007","90","","95.142","0.003","90","","3269","0.2","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2.09 Cl1.91 Fe4 N2 S4 -","- C20 H32 Br2.093 Cl1.907 Fe4 N2 S4 -","- C80 H128 Br8.372 Cl7.628 Fe16 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0493","0.0446","","","0.1171","0.1212","","","","","","1.074","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712071","13.21","0.001","14.957","0.001","17.513","0.002","90","","96.118","0.008","90","","3440.5","0.5","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2.13 Fe4 I1.87 N2 S4 -","- C20 H32 Br2.126 Fe4 I1.874 N2 S4 -","- C80 H128 Br8.504 Fe16 I7.496 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0439","0.0365","","","0.0892","0.096","","","","","","1.062","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712072","12.79122","0.00018","14.6187","0.0002","17.1838","0.0002","90","","94.8717","0.0013","90","","3201.61","0.07","173","2","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2 Cl2 Fe4 N2 S4 -","- C20 H32 Br1.999 Cl2 Fe4 N2 S4 -","- C80 H128 Br7.996 Cl8 Fe16 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0378","0.0288","","","0.0484","0.051","","","","","","1.043","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712073","13.1754","0.0003","14.734","0.0004","17.5672","0.0004","90","","96.3025","0.0019","90","","3389.65","0.14","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Cl1.65 Fe4 I2.35 N2 S4 -","- C20 H32 Cl1.653 Fe4 I2.347 N2 S4 -","- C80 H128 Cl6.612 Fe16 I9.388 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.1003","0.0493","","","0.0982","0.1275","","","","","","1.036","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"7712074","10.2381","0.0005","12.3598","0.0006","19.934","0.001","104.898","0.004","89.793","0.004","93.675","0.004","2432.4","0.2","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","6","P -1","-P 1","2","","","","- C30 H48 Cl6 Fe6 N3 S6 -","- C30 H48 Cl6 Fe6 N3 S6 -","- C60 H96 Cl12 Fe12 N6 S12 -","2","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0589","0.0387","","","0.0938","0.1066","","","","","","0.998","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712075","13.0906","0.0003","14.8245","0.0003","17.3176","0.0004","90","","95.942","0.002","90","","3342.62","0.13","173","2","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2 Fe4 I2 N2 S4 -","- C20 H32 Br2 Fe4 I2 N2 S4 -","- C80 H128 Br8 Fe16 I8 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0305","0.0237","","","0.0399","0.0421","","","","","","1.045","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712076","14.534","0.002","25.961","0.004","32.78","0.005","92.735","0.002","97.846","0.002","102.021","0.002","11947","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H112 N16 Ni O0 -","- C108 H112 N16 Ni -","- C432 H448 N64 Ni4 -","4","2","","Tarakanov, Pavel A.; Simakov, Anton O.; Pushkarev, Victor E.; Konev, Dmitry V.; Goncharova, Olga A.; Slesarenko, Nikita A.; Tarakanova, Ekaterina N.; Nefedov, Sergey E.; Stuzhin, Pavel A.","Electronic and steric effects controlling monomer-dimer self-assembly in 6<i>H</i>-1,4-diazepinoporphyrazines: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2124","2134","10.1039/d2dt03371b","","","0.71073","MoKα","","0.3015","0.1267","","","0.2819","0.3479","","","","","","1.049","","","","has coordinates,has disorder","283319","2023-05-05","02:23:29",""
"7712077","7.3942","0.0004","8.0737","0.0004","15.2816","0.0008","102.804","0.002","92.714","0.002","109.58","0.002","830.79","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cu N10 O14 -","- C26 H36 Cu N10 O14 -","- C26 H36 Cu N10 O14 -","1","0.5","","Cortés, Paula; Castroagudín, Mariña; Kesternich, Víctor; Pérez-Fehrmann, Marcia; Carmona, Erico; Zaragoza, Guillermo; Vizcarra, Arnoldo; Hernández-Saravia, Lucas Patricio; Nelson, Ronald","Ligand influence in electrocatalytic properties of Cu(II) triazole complexes for hydrogen peroxide detection in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1476","1486","10.1039/d2dt03549a","","x-ray","0.71073","MoKα","","0.0328","0.0275","","","0.0645","0.0673","","","","","","1.047","","","","has coordinates","283260","2023-05-05","01:51:20",""
"7712078","11.7258","0.0005","10.2545","0.0004","10.9905","0.0004","90","","107.726","0.001","90","","1258.78","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cu N6 O10 -","- C22 H28 Cu N6 O10 -","- C44 H56 Cu2 N12 O20 -","2","0.5","","Cortés, Paula; Castroagudín, Mariña; Kesternich, Víctor; Pérez-Fehrmann, Marcia; Carmona, Erico; Zaragoza, Guillermo; Vizcarra, Arnoldo; Hernández-Saravia, Lucas Patricio; Nelson, Ronald","Ligand influence in electrocatalytic properties of Cu(II) triazole complexes for hydrogen peroxide detection in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1476","1486","10.1039/d2dt03549a","","x-ray","0.71073","MoKα","","0.0447","0.034","","","0.0831","0.0921","","","","","","1.105","","","","has coordinates","283260","2023-05-05","01:51:21",""
"7712079","7.2584","0.0004","11.4225","0.0006","16.6484","0.0008","105.332","0.0018","98.0427","0.0018","100.625","0.0018","1282.18","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Br2 Cu N6 O9 -","- C20 H24 Br2 Cu N6 O9 -","- C40 H48 Br4 Cu2 N12 O18 -","2","1","","Cortés, Paula; Castroagudín, Mariña; Kesternich, Víctor; Pérez-Fehrmann, Marcia; Carmona, Erico; Zaragoza, Guillermo; Vizcarra, Arnoldo; Hernández-Saravia, Lucas Patricio; Nelson, Ronald","Ligand influence in electrocatalytic properties of Cu(II) triazole complexes for hydrogen peroxide detection in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1476","1486","10.1039/d2dt03549a","","x-ray","0.71073","MoKα","","0.0378","0.0263","","","0.062","0.0681","","","","","","1.034","","","","has coordinates,has disorder","283260","2023-05-05","01:51:21",""
"7712080","8.0779","0.0007","8.3405","0.0007","9.8156","0.0008","114.716","0.001","105.676","0.0011","96.9267","0.0011","557.38","0.08","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 O4 Sn2 -","- C16 H36 O4 Sn2 -","- C16 H36 O4 Sn2 -","1","0.5","","Bykowski, Janelle; Sinclair, Jocelyn; Trach, Jonathan; Ferguson, Michael J.; Rivard, Eric","Molecular Sn(II) precursors for room temperature deposition of crystalline elemental tin.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1602","1607","10.1039/d2dt04028j","","","0.71073","MoKα","","0.0158","0.015","","","0.0374","0.038","","","","","","1.059","","","","has coordinates,has disorder","283297","2023-05-05","02:15:39",""
"7712081","10.193","0.002","10.823","0.002","11.118","0.002","99.693","0.003","113.801","0.003","96.897","0.003","1081.9","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H70 K2 O8 Sn2 -","- C32 H70 K2 O8 Sn2 -","- C32 H70 K2 O8 Sn2 -","1","0.5","","Bykowski, Janelle; Sinclair, Jocelyn; Trach, Jonathan; Ferguson, Michael J.; Rivard, Eric","Molecular Sn(II) precursors for room temperature deposition of crystalline elemental tin.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1602","1607","10.1039/d2dt04028j","","","0.71073","MoKα","","0.0458","0.0371","","","0.0929","0.099","","","","","","1.032","","","","has coordinates","283297","2023-05-05","02:15:43",""
"7712082","12.568","0.003","7.7753","0.0019","18.333","0.005","90","","107.603","0.004","90","","1707.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N2 O2 Sn -","- C13 H26 N2 O2 Sn -","- C52 H104 N8 O8 Sn4 -","4","1","","Bykowski, Janelle; Sinclair, Jocelyn; Trach, Jonathan; Ferguson, Michael J.; Rivard, Eric","Molecular Sn(II) precursors for room temperature deposition of crystalline elemental tin.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1602","1607","10.1039/d2dt04028j","","","0.71073","MoKα","","0.0731","0.0419","","","0.0877","0.1015","","","","","","1.034","","","","has coordinates,has disorder","283297","2023-05-05","02:15:54",""
"7712083","7.6355","0.0002","8.8033","0.0003","13.9001","0.0004","90","","92.7393","0.0008","90","","933.26","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 Cl2 N2 Sn -","- C5 H8 Cl2 N2 Sn -","- C20 H32 Cl8 N8 Sn4 -","4","1","","Bykowski, Janelle; Sinclair, Jocelyn; Trach, Jonathan; Ferguson, Michael J.; Rivard, Eric","Molecular Sn(II) precursors for room temperature deposition of crystalline elemental tin.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1602","1607","10.1039/d2dt04028j","","","1.54178","CuKα","","0.019","0.0186","","","0.0479","0.0482","","","","","","1.141","","","","has coordinates","283297","2023-05-05","02:16:04",""
"7712084","19.2076","0.0006","11.9631","0.0003","32.4823","0.0014","90","","104.958","0.004","90","","7211","0.4","297","2","297","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","{1-[(2-chlorophenyl)-diphenyl-methyl]imidazole}1,10-phenanthroline fac-tricarbonyl rhenium(I) hexafluorophosphate","","- C37 H25 Cl F6 N4 O3 P Re -","- C37 H25 Cl F6 N4 O3 P Re -","- C296 H200 Cl8 F48 N32 O24 P8 Re8 -","8","2","","Soba, Mariano; Scalese, Gonzalo; Casuriaga, Federico; Pérez, Nicolás; Veiga, Nicolás; Echeverría, Gustavo A; Piro, Oscar E.; Faccio, Ricardo; Pérez-Díaz, Leticia; Gasser, Gilles; Machado, Ignacio; Gambino, Dinorah","Multifunctional organometallic compounds for the treatment of Chagas disease: Re(I) tricarbonyl compounds with two different bioactive ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1623","1641","10.1039/d2dt03869b","","x-ray","0.71073","MoKα","","0.0631","0.0403","","","0.0728","0.0855","","","","","","1.138","","","","has coordinates","283301","2023-05-05","02:17:48",""
"7712085","11.3683","0.0003","12.15","0.0003","14.2904","0.0004","110.797","0.002","99.919","0.002","103.574","0.002","1721.3","0.09","297","2","297","2","","","","","","","","8","P -1","-P 1","2","","{1-[(2-chlorophenyl)-diphenyl-methyl]imidazole}1,10-phenanthroline fac-tricarbonyl rhenium(I) hexafluorophosphate","","- C37 H25 Cl F6 N4 O3 P Re -","- C37 H25 Cl N4 O3 Re -","- C74 H50 Cl2 N8 O6 Re2 -","2","1","","Soba, Mariano; Scalese, Gonzalo; Casuriaga, Federico; Pérez, Nicolás; Veiga, Nicolás; Echeverría, Gustavo A; Piro, Oscar E.; Faccio, Ricardo; Pérez-Díaz, Leticia; Gasser, Gilles; Machado, Ignacio; Gambino, Dinorah","Multifunctional organometallic compounds for the treatment of Chagas disease: Re(I) tricarbonyl compounds with two different bioactive ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1623","1641","10.1039/d2dt03869b","","x-ray","0.71073","MoKα","","0.0375","0.0292","","","0.0599","0.0632","","","","","","1.046","","","","has coordinates,has disorder","283301","2023-05-05","02:17:48",""
"7712086","10.0633","0.0001","19.9246","0.0001","10.1296","0.0001","90","","110.21","0.001","90","","1906.01","0.03","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 Cl4 Cu F2 N4 O2 -","- C44 H24 Cl4 Cu F2 N4 O2 -","- C88 H48 Cl8 Cu2 F4 N8 O4 -","2","0.5","","Shen, Wen-Ying; Jia, Chun-Peng; Liao, Li-Yi; Chen, Liu-Lin; Yuan, Chen-Cheng; Gu, Yunqiong; Liu, Yang-Han; Liang, Hong; Chen, Zhen-Feng","Copper(II) complex enhanced chemodynamic therapy through GSH depletion and autophagy flow blockade","Dalton Transactions","2023","","","","","10.1039/D2DT04108A","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.0956","0.0968","","","","","","1.053","","","","has coordinates","280272","2023-01-10","23:45:04",""
"7712087","19.6802","0.0006","9.9152","0.0002","20.2125","0.0006","90","","94.951","0.003","90","","3929.41","0.19","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H24 Cl4 Cu F2 N4 O2 -","- C44 H24 Cl4 Cu F2 N4 O2 -","- C176 H96 Cl16 Cu4 F8 N16 O8 -","4","0.5","","Shen, Wen-Ying; Jia, Chun-Peng; Liao, Li-Yi; Chen, Liu-Lin; Yuan, Chen-Cheng; Gu, Yunqiong; Liu, Yang-Han; Liang, Hong; Chen, Zhen-Feng","Copper(II) complex enhanced chemodynamic therapy through GSH depletion and autophagy flow blockade","Dalton Transactions","2023","","","","","10.1039/D2DT04108A","","x-ray","0.71073","MoKα","","0.0512","0.0372","","","0.0899","0.0999","","","","","","1.047","","","","has coordinates","280272","2023-01-10","23:45:05",""
"7712088","24.3709","0.0002","11.5828","0.0001","15.5789","0.0001","90","","102.622","0.001","90","","4291.38","0.06","295.29","0.1","295.29","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Cl4 Cu F2 N4 O4 -","- C46 H32 Cl4 Cu F2 N4 O4 -","- C184 H128 Cl16 Cu4 F8 N16 O16 -","4","0.5","","Shen, Wen-Ying; Jia, Chun-Peng; Liao, Li-Yi; Chen, Liu-Lin; Yuan, Chen-Cheng; Gu, Yunqiong; Liu, Yang-Han; Liang, Hong; Chen, Zhen-Feng","Copper(II) complex enhanced chemodynamic therapy through GSH depletion and autophagy flow blockade","Dalton Transactions","2023","","","","","10.1039/D2DT04108A","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0993","0.1005","","","","","","1.053","","","","has coordinates,has disorder","280272","2023-01-10","23:45:05",""
"7712089","10.4288","0.0002","27.1835","0.0004","11.229","0.0002","90","","90","","90","","3183.32","0.1","123.15","","123.15","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C35 H48 Cl O3 V -","- C35 H48 Cl O3 V -","- C140 H192 Cl4 O12 V4 -","4","1","","Nagata, Koichi; Hino, Ayako; Ube, Hitoshi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis and molecular structural studies of racemic chiral-at-vanadium(V) complexes using an unsymmetric achiral phenolic bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","11","3295","3299","10.1039/d2dt03436k","","x-ray","1.54184","CuKα","","0.0775","0.0712","","","0.2037","0.2112","","","","","","1.069","","","","has coordinates,has disorder","283329","2023-05-05","02:35:11",""
"7712090","11.3936","0.0003","13.2903","0.0003","13.406","0.0003","75.111","0.002","69.895","0.002","75.358","0.002","1811.79","0.08","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H57 O4 V -","- C39 H57 O4 V -","- C78 H114 O8 V2 -","2","1","","Nagata, Koichi; Hino, Ayako; Ube, Hitoshi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis and molecular structural studies of racemic chiral-at-vanadium(V) complexes using an unsymmetric achiral phenolic bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","11","3295","3299","10.1039/d2dt03436k","","x-ray","1.54184","CuKα","","0.0365","0.0337","","","0.0905","0.0922","","","","","","1.082","","","","has coordinates","283329","2023-05-05","02:35:27",""
"7712091","23.0029","0.0012","9.0127","0.0004","9.9585","0.0005","90","","107.461","0.002","90","","1969.45","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Na4 O22 Ru2 -","- C4 H20 Na4 O22 Ru2 -","- C16 H80 Na16 O88 Ru8 -","4","0.5","","Li, Jing-Yu; Zhang, Pei; Yang, Jian-Hui; Liu, Bin","Homo-valent diruthenium(II,II) carbonates Na<sub>4</sub>[Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]·10H<sub>2</sub>O: synthesis, structure, properties, and calculation.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1316","1322","10.1039/d2dt03846c","","","1.34139","GaKα","","0.0555","0.053","","","0.1422","0.1442","","","","","","1.042","","","","has coordinates","283255","2023-05-05","01:50:10",""
"7712092","9.8252","0.0004","21.1777","0.0007","10.3389","0.0004","90","","107.937","0.005","90","","2046.71","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl2 N2 O8 Re2 -","- C15 H12 Cl2 N2 O8 Re2 -","- C60 H48 Cl8 N8 O32 Re8 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Gorski, Aleksander; Dutkiewicz, Natalia; Gapińska, Magdalena; Stróżek, Józef; Woźniak, Krzysztof; Trzybiński, Damian; Kowalski, Konrad","Replacement of the phosphodiester backbone between canonical nucleosides with a dirhenium carbonyl ""click"" linker-a new class of luminescent organometallic dinucleoside phosphate mimics.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1551","1567","10.1039/d2dt03995h","","x-ray","1.54184","CuKα","","0.0439","0.0389","","","0.1028","0.1063","","","","","","1.091","","","","has coordinates","283299","2023-05-05","02:16:45",""
"7712093","19.1476","0.0004","6.13921","0.00008","20.3399","0.0004","90","","115.439","0.002","90","","2159.16","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cl2 N3 O6 Re2 -","- C17 H11 Cl2 N3 O6 Re2 -","- C68 H44 Cl8 N12 O24 Re8 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Gorski, Aleksander; Dutkiewicz, Natalia; Gapińska, Magdalena; Stróżek, Józef; Woźniak, Krzysztof; Trzybiński, Damian; Kowalski, Konrad","Replacement of the phosphodiester backbone between canonical nucleosides with a dirhenium carbonyl ""click"" linker-a new class of luminescent organometallic dinucleoside phosphate mimics.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1551","1567","10.1039/d2dt03995h","","x-ray","1.54184","CuKα","","0.0305","0.027","","","0.0643","0.0663","","","","","","1.064","","","","has coordinates","283299","2023-05-05","02:16:55",""
"7712094","15.10128","0.00007","32.5388","0.00015","20.86994","0.00009","90","","94.9245","0.0004","90","","10217.2","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 Li4 Ni2 O4 -","- C54 H70 Li4 Ni2 O4 -","- C432 H560 Li32 Ni16 O32 -","8","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.036","0.0343","","","0.0941","0.0954","","","","","","1.016","","","","has coordinates,has disorder","283323","2023-05-05","02:25:29",""
"7712095","17.30135","0.00014","14.29224","0.0001","15.0457","0.00013","90","","115.113","0.001","90","","3368.75","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Li2 Ni O2 -","- C38 H48 Li2 Ni O2 -","- C152 H192 Li8 Ni4 O8 -","4","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0305","0.03","","","0.0794","0.0798","","","","","","1.041","","","","has coordinates","283323","2023-05-05","02:25:29",""
"7712096","12.37091","0.00007","19.444","0.0001","23.57916","0.00013","90","","101.868","0.0005","90","","5550.49","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H77 Li4 Ni2 O4 -","- C58 H77 Li4 Ni2 O4 -","- C232 H308 Li16 Ni8 O16 -","4","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0441","0.0411","","","0.1172","0.1201","","","","","","1.032","","","","has coordinates,has disorder","283323","2023-05-05","02:25:29",""
"7712097","24.15833","0.00013","11.80124","0.00006","25.58438","0.00014","90","","106.365","0.0006","90","","6998.57","0.07","173","0.1","173","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H86 Li4 Ni2 O6 -","- C78 H86 Li4 Ni2 O6 -","- C312 H344 Li16 Ni8 O24 -","4","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0708","0.0692","","","0.185","0.1863","","","","","","1.063","","","","has coordinates,has disorder","283323","2023-05-05","02:25:29",""
"7712098","20.9102","0.0002","17.5645","0.0001","16.2357","0.0001","90","","90.281","0.001","90","","5962.93","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H78 Na4 Ni2 O6 -","- C62 H78 Na4 Ni2 O6 -","- C248 H312 Na16 Ni8 O24 -","4","0.5","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0725","0.0665","","","0.2015","0.2093","","","","","","1.059","","","","has coordinates,has disorder","283323","2023-05-05","02:25:29",""
"7712099","15.49117","0.00005","19.31164","0.00007","24.55861","0.00009","90","","90","","90","","7346.95","0.04","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Li2 Ni O4 -","- C42 H50 Li2 Ni O4 -","- C336 H400 Li16 Ni8 O32 -","8","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0405","0.0395","","","0.1031","0.1038","","","","","","1.041","","","","has coordinates","283323","2023-05-05","02:25:29",""
"7712100","12.16221","0.0001","28.5694","0.0003","42.1061","0.0003","90","","90","","90","","14630.5","0.2","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H102 Li4 Ni2 O4 -","- C70 H102 Li4 Ni2 O4 -","- C560 H816 Li32 Ni16 O32 -","8","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0566","0.0524","","","0.1352","0.1377","","","","","","1.069","","","","has coordinates","283323","2023-05-05","02:25:29",""
"7712101","18.733","0.007","18.733","0.007","28.218","0.008","90","","90","","120","","8576","5","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C11 H13 Cu N O7 S -","- C10.95 H13 Cu N O7 S -","- C197.1 H234 Cu18 N18 O126 S18 -","18","0.5","","Wang, Baoru; Liu, Peng; Hu, Yixiao; Zhao, Haili; Zheng, Liyan; Cao, Qiue","A Cu(II) MOF with laccase-like activity for colorimetric detection of 2,4-dichlorophenol and <i>p</i>-nitrophenol.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2309","2316","10.1039/d2dt03268f","","","0.71073","MoKα","","0.1009","0.0789","","","0.2173","0.2384","","","","","","1.052","","","","has coordinates,has disorder","283234","2023-05-05","01:40:21",""
"7712102","9.0087","0.0009","10.5776","0.0012","17.4264","0.0019","98.163","0.005","104.652","0.004","101.634","0.005","1540.6","0.3","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H37 Cl N4 O Pt -","- C34 H37 Cl N4 O Pt -","- C68 H74 Cl2 N8 O2 Pt2 -","2","1","","Hruzd, Mariia; Kahlal, Samia; le Poul, Nicolas; Wojcik, Laurianne; Cordier, Marie; Saillard, Jean-Yves; Rodríguez-López, Julián; Robin-le Guen, Françoise; Gauthier, Sébastien; Achelle, Sylvain","Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine N^C ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1927","1938","10.1039/d2dt03690h","","x-ray","0.71073","MoKα","","0.0328","0.0299","","","0.0742","0.0753","","","","","","1.102","","","","has coordinates,has disorder","283325","2023-05-05","02:28:10",""
"7712103","12.4061","0.0003","7.9544","0.0002","25.2752","0.0005","90","","94.218","0.001","90","","2487.48","0.1","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Cl N4 O Pt -","- C29 H23 Cl N4 O Pt -","- C116 H92 Cl4 N16 O4 Pt4 -","4","1","","Hruzd, Mariia; Kahlal, Samia; le Poul, Nicolas; Wojcik, Laurianne; Cordier, Marie; Saillard, Jean-Yves; Rodríguez-López, Julián; Robin-le Guen, Françoise; Gauthier, Sébastien; Achelle, Sylvain","Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine N^C ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1927","1938","10.1039/d2dt03690h","","x-ray","0.71073","MoKα","","0.0344","0.0281","","","0.0644","0.066","","","","","","1.061","","","","has coordinates,has disorder","283325","2023-05-05","02:28:14",""
"7712104","11.6802","0.001","7.3821","0.0007","20.8746","0.0018","90","","94.571","0.003","90","","1794.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl N3 Pt -","- C21 H16 Cl N3 Pt -","- C84 H64 Cl4 N12 Pt4 -","4","1","","Hruzd, Mariia; Kahlal, Samia; le Poul, Nicolas; Wojcik, Laurianne; Cordier, Marie; Saillard, Jean-Yves; Rodríguez-López, Julián; Robin-le Guen, Françoise; Gauthier, Sébastien; Achelle, Sylvain","Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine N^C ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1927","1938","10.1039/d2dt03690h","","x-ray","0.71073","MoKα","","0.0337","0.0285","","","0.0699","0.0733","","","","","","1.105","","","","has coordinates","283325","2023-05-05","02:28:16",""
"7712105","17.123","0.0005","14.4934","0.0005","7.3773","0.0003","90","","90","","90","","1830.83","0.11","109.95","0.1","109.95","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","0.5","","McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.","On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","872","876","10.1039/d2dt04114f","","x-ray","1.54184","CuKα","","0.0268","0.0252","","","0.0654","0.0669","","","","","","1.028","","","","has coordinates","283263","2023-05-05","01:52:48",""
"7712106","11.08601","0.00014","18.3382","0.0002","30.5993","0.0005","90","","94.3823","0.0014","90","","6202.57","0.15","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Au Cl N O4 -","- C33 H43 Au Cl N O4 -","- C264 H344 Au8 Cl8 N8 O32 -","8","2","","McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.","On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","872","876","10.1039/d2dt04114f","","x-ray","0.71073","MoKα","","0.0427","0.0307","","","0.0626","0.0676","","","","","","1.032","","","","has coordinates,has disorder","283263","2023-05-05","01:52:48",""
"7712107","14.0415","0.0006","18.4352","0.0007","27.089","0.0009","90","","104.177","0.004","90","","6798.6","0.5","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H43 Cl2 Hg2 N O4 -","- C33 H43 Cl2 Hg2 N O4 -","- C264 H344 Cl16 Hg16 N8 O32 -","8","2","","McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.","On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","872","876","10.1039/d2dt04114f","","x-ray","1.54184","CuKα","","0.0786","0.0647","","","0.1431","0.1525","","","","","","1.059","","","","has coordinates,has disorder","283263","2023-05-05","01:52:48",""
"7712108","15.9605","0.0002","17.7059","0.0002","21.0634","0.0003","95.182","0.001","96.057","0.001","98.32","0.001","5823.06","0.13","123.15","","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H172 N8 Sm2 -","- C132 H172 N8 Sm2 -","- C264 H344 N16 Sm4 -","2","1","","Peedika Paramban, Ramees; Guo, Zhifang; Deacon, Glen B.; Junk, Peter C.","Formation of a cyclooctatetraenylsamarium(III) inverse sandwich that ring-opens tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04164b","","","0.71073","MoKα","","0.0503","0.0448","","","0.1051","0.1069","","","","","","1.14","","","","has coordinates,has disorder","280340","2023-01-13","23:45:26",""
"7712109","10.842","0.002","18.607","0.004","18.765","0.004","90","","90","","90","","3785.6","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N2 O2 Sm -","- C41 H59 N2 O2 Sm -","- C164 H236 N8 O8 Sm4 -","4","1","","Peedika Paramban, Ramees; Guo, Zhifang; Deacon, Glen B.; Junk, Peter C.","Formation of a cyclooctatetraenylsamarium(III) inverse sandwich that ring-opens tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04164b","","","0.71073","Synchrotron","","0.03","0.0292","","","0.076","0.0767","","","","","","1.04","","","","has coordinates","280340","2023-01-13","23:45:27",""
"7712110","12.6902","0.0004","17.9896","0.0007","20.6655","0.0004","97.357","0.002","103.624","0.002","108.342","0.003","4246.3","0.3","122.99","0.12","122.99","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C87 H129 N6 O3 Sm -","- C87 H129 N6 O3 Sm -","- C174 H258 N12 O6 Sm2 -","2","1","","Peedika Paramban, Ramees; Guo, Zhifang; Deacon, Glen B.; Junk, Peter C.","Formation of a cyclooctatetraenylsamarium(III) inverse sandwich that ring-opens tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04164b","","x-ray","1.54184","CuKα","","0.0925","0.0763","","","0.1806","0.1904","","","","","","1.074","","","","has coordinates,has disorder","280340","2023-01-13","23:45:27",""
"7712111","7.52262","0.0001","5.26905","0.00008","11.22463","0.00016","90","","104.641","0.0007","90","","430.464","0.011","300","","300","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Lu2 O6 W -","- Lu2 O6 W -","- Lu8 O24 W4 -","4","1","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.1","4.05","","","","","","","has coordinates","283222","2023-05-05","01:35:27",""
"7712112","16.39881","0.00015","11.17398","0.0001","5.43037","0.00005","90","","107.67","0.0005","90","","948.115","0.015","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Gd15.68 Lu0.32 O48 W8 -","- Gd15.68 Lu0.32 O48 W8 -","- Gd15.68 Lu0.32 O48 W8 -","1","0.125","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.81","2.52","","","","","","","has coordinates","283222","2023-05-05","01:35:39",""
"7712113","16.3383","0.0004","11.134","0.0003","5.3985","0.00014","90","","107.755","0.0011","90","","935.27","0.04","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Gd13.4 Lu2.6 O48 W8 -","- Gd13.4 Lu2.6 O48 W8 -","- Gd13.4 Lu2.6 O48 W8 -","1","0.125","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.66","1.5","","","","","","","has coordinates","283222","2023-05-05","01:35:39",""
"7712114","7.56643","0.00011","5.30847","0.00009","11.30437","0.00017","90","","104.527","0.0009","90","","439.536","0.012","300","","300","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Gd1.96 Lu6.04 O24 W4 -","- Gd1.96 Lu6.04 O24 W4 -","- Gd1.96 Lu6.04 O24 W4 -","1","0.25","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0","1.64","","","","","","","has coordinates","283222","2023-05-05","01:35:42",""
"7712115","7.52747","0.00014","5.27346","0.00011","11.2307","0.0002","90","","104.638","0.0011","90","","431.341","0.014","300","","300","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Gd0.6 Lu7.4 O24 W4 -","- Gd0.6 Lu7.4 O24 W4 -","- Gd0.6 Lu7.4 O24 W4 -","1","0.25","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.28","2.4","","","","","","","has coordinates","283222","2023-05-05","01:35:49",""
"7712116","7.54138","0.00016","5.28624","0.00012","11.2588","0.0003","90","","104.593","0.0013","90","","434.359","0.018","300","","300","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Gd0.8 Lu7.2 O24 W4 -","- Gd0.8 Lu7.2 O24 W4 -","- Gd0.8 Lu7.2 O24 W4 -","1","0.25","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0","2.18","","","","","","","has coordinates","283222","2023-05-05","01:35:49",""
"7712117","7.53287","0.0001","5.27787","0.00008","11.24076","0.00015","90","","104.624","0.0008","90","","432.426","0.011","300","","300","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Gd0.36 Lu7.64 O24 W4 -","- Gd0.36 Lu7.64 O24 W4 -","- Gd0.36 Lu7.64 O24 W4 -","1","0.25","","Wang, Xuejiao; Feng, Xiaowen; Molokeev, Maxim S.; Zheng, Huiling; Wang, Qiushi; Xu, Chunyan; Li, Ji-Guang","Modulation of Bi<sup>3+</sup> luminescence from broadband green to broadband deep red in Lu<sub>2</sub>WO<sub>6</sub> by Gd<sup>3+</sup> doping and its applications in high color rendering index white LED and near-infrared LED.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2619","2630","10.1039/d2dt03751c","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","4.17","","","","","","","has coordinates","283222","2023-05-05","01:35:52",""
"7712118","16.089","0.0003","11.633","0.0003","17.9172","0.0004","90","","94.514","0.002","90","","3343.04","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 B F9 O3 -","- C18 H6 B F9 O3 -","- C144 H48 B8 F72 O24 -","8","2","","Alharbi, Mashael M.; van Ingen, Yara; Roldan, Alberto; Kaehler, Tanja; Melen, Rebecca L.","Synthesis and lewis acidity of fluorinated triaryl borates.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1820","1825","10.1039/d2dt04095f","","","1.54178","CuKα","","0.0474","0.0356","","","0.0888","0.0973","","","","","","1.036","","","","has coordinates","283298","2023-05-05","02:16:29",""
"7712119","9.2006","0.0009","9.4849","0.0009","10.6212","0.0007","92.872","0.006","101.18","0.007","115.335","0.009","812.53","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 B F3 O3 -","- C18 H12 B F3 O3 -","- C36 H24 B2 F6 O6 -","2","1","","Alharbi, Mashael M.; van Ingen, Yara; Roldan, Alberto; Kaehler, Tanja; Melen, Rebecca L.","Synthesis and lewis acidity of fluorinated triaryl borates.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1820","1825","10.1039/d2dt04095f","","","1.54178","CuKα","","0.0742","0.0591","","","0.1611","0.1845","","","","","","1.041","","","","has coordinates,has disorder","283298","2023-05-05","02:16:32",""
"7712120","11.3358","0.0009","13.4129","0.0011","13.6547","0.0008","69.358","0.006","69.479","0.006","72.094","0.007","1779.1","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H6 B F9 O3 -","- C18 H6 B F9 O3 -","- C72 H24 B4 F36 O12 -","4","2","","Alharbi, Mashael M.; van Ingen, Yara; Roldan, Alberto; Kaehler, Tanja; Melen, Rebecca L.","Synthesis and lewis acidity of fluorinated triaryl borates.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1820","1825","10.1039/d2dt04095f","","","1.54178","CuKα","","0.1","0.0762","","","0.2203","0.2634","","","","","","1.052","","","","has coordinates","283298","2023-05-05","02:16:33",""
"7712121","7.6216","0.0003","11.792","0.0005","13.0678","0.0004","77.628","0.003","88.737","0.003","71.633","0.004","1087.43","0.08","200","0.1","200","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H16 N4 O4 -","- C28 H16 N4 O4 -","- C56 H32 N8 O8 -","2","1","","Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong","Luminescent MOFs constructed by using butterfly-like AIE ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1913","1918","10.1039/d2dt03382h","","","1.54184","CuKα","","0.0722","0.0597","","","0.1668","0.1802","","","","","","1.075","","","","has coordinates","283316","2023-05-05","02:22:45",""
"7712122","27.2643","0.0002","9.6798","0.0001","11.3185","0.0001","90","","90.506","0.001","90","","2986.98","0.05","200","","200","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C62 H42 Cl4 Cu2 I2 N10 O8 -","- C62 H42 Cl3 Cu2 I2 N10 O8 -","- C124 H84 Cl6 Cu4 I4 N20 O16 -","2","0.25","","Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong","Luminescent MOFs constructed by using butterfly-like AIE ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1913","1918","10.1039/d2dt03382h","","x-ray","1.54184","CuKα","","0.0501","0.0496","","","0.1381","0.1386","","","","","","1.043","","","","has coordinates,has disorder","283316","2023-05-05","02:22:45",""
"7712123","30.9478","0.0005","8.7794","0.0002","12.2189","0.0003","90","","90","","90","","3319.91","0.12","199.99","0.1","200","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C56 H32 Cu2 I2 N8 O8 -","- C56 H32 Cu2 I2 N8 O8 -","- C112 H64 Cu4 I4 N16 O16 -","2","0.25","","Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong","Luminescent MOFs constructed by using butterfly-like AIE ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1913","1918","10.1039/d2dt03382h","","","1.54184","CuKα","","0.0602","0.0512","","","0.1486","0.1565","","","","","","1.057","","","","has coordinates,has disorder","283316","2023-05-05","02:22:45",""
"7712124","10.4836","0.0004","13.4881","0.0004","19.6808","0.0005","90","","97.791","0.003","90","","2757.25","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H38 Cu2 I2 N10 O8 -","- C60 H38 Cu2 I2 N10 O8 -","- C120 H76 Cu4 I4 N20 O16 -","2","0.5","","Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong","Luminescent MOFs constructed by using butterfly-like AIE ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1913","1918","10.1039/d2dt03382h","","x-ray","1.54184","CuKα","","0.1026","0.0899","","","0.205","0.2122","","","","","","1.199","","","","has coordinates","283316","2023-05-05","02:22:45",""
"7712125","9.7538","0.0016","11.407","0.002","11.4194","0.0019","103.712","0.007","113.415","0.006","100.779","0.007","1074.9","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H16 N4 O4 -","- C28 H16 N4 O4 -","- C56 H32 N8 O8 -","2","1","","Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong","Luminescent MOFs constructed by using butterfly-like AIE ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1913","1918","10.1039/d2dt03382h","","x-ray","0.71073","MoKα","","0.0697","0.0422","","","0.0953","0.109","","","","","","1.03","","","","has coordinates","283316","2023-05-05","02:22:46",""
"7712126","14.9256","0.0014","20.6814","0.0018","13.6544","0.0012","90","","109.49","0.003","90","","3973.4","0.6","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B F20 Mg N3 -","- C37 H32 B F20 Mg N3 -","- C148 H128 B4 F80 Mg4 N12 -","4","1","","Ankur, ?; Sharma, Deepti; Andrews, Alex P.; Venugopal, Ajay","Reactivity of a quasi-four-coordinate butylmagnesium cation.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1533","1537","10.1039/d3dt00018d","","","0.71073","MoKα","","0.0786","0.0426","","","0.1062","0.1321","","","","","","1.042","","","","has coordinates,has disorder","283307","2023-05-05","02:20:18",""
"7712127","29.124","0.002","17.614","0.002","24.717","0.003","90","","123.418","0.005","90","","10583","2","142","2","142","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H96 B2 F48 Mg O9 -","- C100 H96 B2 F48 Mg O9 -","- C400 H384 B8 F192 Mg4 O36 -","4","0.5","","Ankur, ?; Sharma, Deepti; Andrews, Alex P.; Venugopal, Ajay","Reactivity of a quasi-four-coordinate butylmagnesium cation.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1533","1537","10.1039/d3dt00018d","","","0.71073","MoKα","","0.1287","0.0763","","","0.1787","0.2166","","","","","","1.019","","","","has coordinates,has disorder","283307","2023-05-05","02:20:18",""
"7712128","12.79","0.03","13.69","0.03","14.16","0.03","94.01","0.05","99.53","0.05","96.29","0.05","2421","9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F24 Mg N3 -","- C41 H36 B F24 Mg N3 -","- C82 H72 B2 F48 Mg2 N6 -","2","1","","Ankur, ?; Sharma, Deepti; Andrews, Alex P.; Venugopal, Ajay","Reactivity of a quasi-four-coordinate butylmagnesium cation.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1533","1537","10.1039/d3dt00018d","","","0.71073","MoKα","","0.2178","0.084","","","0.2141","0.3082","","","","","","1.003","","","","has coordinates,has disorder","283307","2023-05-05","02:20:18",""
"7712129","13.0441","0.0013","16.924","0.002","19.3835","0.0017","104.003","0.004","102.788","0.003","112.038","0.003","3609.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H166 B4 F48 Mg4 N6 O12 -","- C126 H166 B4 F48 Mg4 N6 O12 -","- C126 H166 B4 F48 Mg4 N6 O12 -","1","0.5","","Ankur, ?; Sharma, Deepti; Andrews, Alex P.; Venugopal, Ajay","Reactivity of a quasi-four-coordinate butylmagnesium cation.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1533","1537","10.1039/d3dt00018d","","","0.71073","MoKα","","0.1367","0.0707","","","0.171","0.2136","","","","","","1.017","","","","has coordinates,has disorder","283307","2023-05-05","02:20:18",""
"7712130","54.944","0.005","17.907","0.0014","20.1401","0.0016","90","","106.948","0.005","90","","18955","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 B F24 Mg N3 O2 -","- C58 H56 B F24 Mg N3 O2 -","- C696 H672 B12 F288 Mg12 N36 O24 -","12","1.5","","Ankur, ?; Sharma, Deepti; Andrews, Alex P.; Venugopal, Ajay","Reactivity of a quasi-four-coordinate butylmagnesium cation.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1533","1537","10.1039/d3dt00018d","","","0.71073","MoKα","","0.1606","0.0722","","","0.1264","0.1749","","","","","","1.104","","","","has coordinates,has disorder","283307","2023-05-05","02:20:18",""
"7712131","9.8173","0.0001","25.6987","0.0003","16.1102","0.0002","90","","97.022","0.001","90","","4033.99","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 N2 P2 Rh -","- C51 H41 N2 P2 Rh -","- C204 H164 N8 P8 Rh4 -","4","1","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.0395","0.0378","","","0.1006","0.1022","","","","","","1.052","","","","has coordinates","283324","2023-05-05","02:26:52",""
"7712132","12.7185","0.0005","14.3038","0.0006","14.4821","0.0006","64.079","0.004","66.091","0.004","74.274","0.004","2152.08","0.18","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C98 H94 N4 O2 P4 Rh2 Si2 -","- C98 H94 N4 O2 P4 Rh2 Si2 -","- C98 H94 N4 O2 P4 Rh2 Si2 -","1","0.5","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.0427","0.0346","","","0.0765","0.0807","","","","","","1.017","","","","has coordinates","283324","2023-05-05","02:27:02",""
"7712133","12.1459","0.0006","12.7759","0.0008","13.1675","0.0007","70.396","0.005","77.844","0.004","84.928","0.004","1881.32","0.19","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H33 Cl4 N2 P2 Rh S -","- C39 H33 Cl4 N2 P2 Rh S -","- C78 H66 Cl8 N4 P4 Rh2 S2 -","2","1","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.0641","0.0506","","","0.1294","0.1418","","","","","","1.024","","","","has coordinates,has disorder","283324","2023-05-05","02:27:07",""
"7712134","15.2904","0.0003","16.1205","0.0005","19.0392","0.0006","90","","105.181","0.003","90","","4529.2","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 F6 N2 O P3 Rh -","- C44 H36 F6 N2 O P3 Rh -","- C176 H144 F24 N8 O4 P12 Rh4 -","4","1","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.074","0.045","","","0.1048","0.1163","","","","","","1.014","","","","has coordinates,has disorder","283324","2023-05-05","02:27:21",""
"7712135","11.403","0.002","12.569","0.003","12.798","0.003","108.38","0.03","106.46","0.03","93.84","0.03","1644.5","0.8","100","0.2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H64 Cl2 N4 O2 P4 Rh2 -","- C76 H64 Cl2 N4 O2 P4 Rh2 -","- C76 H64 Cl2 N4 O2 P4 Rh2 -","1","0.5","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","","0.71073","Synchrotron","","0.0719","0.0521","","","0.1411","0.1575","","","","","","1.053","","","","has coordinates","283324","2023-05-05","02:27:34",""
"7712136","26.9934","0.0004","12.7673","0.0001","23.3601","0.0004","90","","115.376","0.002","90","","7273.9","0.2","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C84 H84 N4 O4 P4 Rh2 -","- C84 H84 N4 O4 P4 Rh2 -","- C336 H336 N16 O16 P16 Rh8 -","4","0.5","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.0309","0.0292","","","0.0757","0.077","","","","","","1.072","","","","has coordinates","283324","2023-05-05","02:27:48",""
"7712137","9.5928","0.0001","22.3888","0.0002","20.1712","0.0001","90","","95.306","0.001","90","","4313.63","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 N2 P2 Rh Si -","- C51 H40 N2 P2 Rh Si -","- C204 H160 N8 P8 Rh4 Si4 -","4","1","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.0347","0.0316","","","0.0858","0.0879","","","","","","1.027","","","","has coordinates,has disorder","283324","2023-05-05","02:27:51",""
"7712138","9.1896","0.0002","12.3669","0.0003","12.9821","0.0003","90","","100.151","0.001","90","","1452.28","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cu N4 O6 S2 -","- C8 H18 Cu N4 O6 S2 -","- C32 H72 Cu4 N16 O24 S8 -","4","1","","Hormann, Jan; Verbitsky, Olga; Zhou, Xiaoyu; Battistella, Beatrice; van der Meer, Margarete; Sarkar, Biprajit; Zhao, Cunyuan; Kulak, Nora","Experimental and computational investigation of heteroatom substitution in nucleolytic Cu(II) cyclen complexes for balancing stability and redox activity.","Dalton transactions (Cambridge, England : 2003)","2023","52","10","3176","3187","10.1039/d2dt03284h","","","0.71073","MoKα","","0.0242","0.0222","","","0.0706","0.0718","","","","","","1.176","","","","has coordinates","283224","2023-05-05","01:36:31",""
"7712139","26.9142","0.0012","24.8726","0.0017","13.0916","0.0006","90","","90","","90","","8763.9","0.8","93","2","93","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C42 H46 Au2 B2 F8 N2 P2 -","- C42 H46 Au2 B2 F8 N2 P2 -","- C336 H368 Au16 B16 F64 N16 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Kobayashi, Hiroyuki; Tanaka, Yuya; Hoshino, Mikio","Near-white light emission from single crystals of cationic dinuclear gold(I) complexes with bridged diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03785h","","x-ray","1.54184","CuKα","","0.0611","0.0605","","","0.1673","0.1682","","","","","","1.101","","","","has coordinates","280404","2023-01-17","23:54:38",""
"7712140","28.1116","0.0008","23.6525","0.0007","14.2329","0.0005","90","","90","","90","","9463.6","0.5","93","2","93","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C46 H56 Au2 B2 F8 N2 O P2 -","- C46 H56 Au2 B2 F8 N2 O P2 -","- C368 H448 Au16 B16 F64 N16 O8 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Kobayashi, Hiroyuki; Tanaka, Yuya; Hoshino, Mikio","Near-white light emission from single crystals of cationic dinuclear gold(I) complexes with bridged diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03785h","","x-ray","1.54184","CuKα","","0.0239","0.0238","","","0.0616","0.0617","","","","","","1.073","","","","has coordinates","280404","2023-01-17","23:54:39",""
"7712141","11.877","0.00018","12.1739","0.0002","16.1311","0.0004","96.5705","0.0016","98.6092","0.0015","99.5936","0.0013","2250.5","0.08","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H42 Au2 B2 Cl4 F8 N2 P2 -","- C40 H42 Au2 B2 Cl4 F8 N2 P2 -","- C80 H84 Au4 B4 Cl8 F16 N4 P4 -","2","1","","Osawa, Masahisa; Soma, Sakie; Kobayashi, Hiroyuki; Tanaka, Yuya; Hoshino, Mikio","Near-white light emission from single crystals of cationic dinuclear gold(I) complexes with bridged diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03785h","","x-ray","1.54184","CuKα","","0.0448","0.0402","","","0.1078","0.1117","","","","","","1.09","","","","has coordinates","280404","2023-01-17","23:54:39",""
"7712142","25.5734","0.0004","26.5996","0.0004","26.713","0.0004","61.229","0.002","78.987","0.001","81.922","0.001","15609.8","0.5","99.99","0.1","99.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36 Cd3 Cu9 K9.05 N36 Nb54 O234 Si3 -","- C36 Cd3 Cu9 K9.044 N36 Nb54 O234 Si3 -","- C72 Cd6 Cu18 K18.088 N72 Nb108 O468 Si6 -","2","1","","Liu, Zheng-Yi; Ye, Jian-Ping; Li, Yi-Lun; Sun, Yan-Qiong; Li, Xin-Xiong; Sun, Cai; Zheng, Shou-Tian","Cadmium-containing windmill-like heteropolyoxoniobate macrocycle with high yield for catalyzing Knoevenagel condensation.","Dalton transactions (Cambridge, England : 2003)","2023","52","5","1193","1197","10.1039/d2dt03706h","","","1.54178","CuKα","","0.0723","0.0653","","","0.1799","0.1861","","","","","","1.007","","","","has coordinates,has disorder","283257","2023-05-05","01:50:43",""
"7712143","22.8625","0.0014","17.5476","0.001","27.2357","0.0018","90","","91.011","0.002","90","","10924.8","1.2","101","2","101.58","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H112 B2 Cl2 Co2 Fe2 N32 O8 -","- C100 H112 B2 Cl2 Co2 Fe2 N32 O8 -","- C400 H448 B8 Cl8 Co8 Fe8 N128 O32 -","4","0.5","","Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu","Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1616","1622","10.1039/d2dt03328c","","","0.71073","MoKα","","0.1139","0.0904","","","0.2364","0.2573","","","","","","1.102","","","","has coordinates","283305","2023-05-05","02:19:43",""
"7712144","14.0286","0.0007","15.5718","0.0008","16.0029","0.0008","73.466","0.002","74.402","0.002","70.073","0.002","3092.8","0.3","100","2","99.72","","","","","","","","","8","P -1","-P 1","2","","","","- C116 H143 B2 Cl2 Co2 Fe2 N35 O8 -","- C116 H143 B2 Cl2 Co2 Fe2 N35 O8 -","- C116 H143 B2 Cl2 Co2 Fe2 N35 O8 -","1","0.5","","Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu","Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1616","1622","10.1039/d2dt03328c","","","0.71073","MoKα","","0.1093","0.082","","","0.2146","0.2349","","","","","","1.04","","","","has coordinates,has disorder","283305","2023-05-05","02:19:44",""
"7712145","21.745","0.003","14.6648","0.0016","21.799","0.002","90","","109.157","0.004","90","","6566.4","1.3","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C100 H118 B2 Cl2 Co2 Fe2 N32 O10 -","- C100 H118 B2 Cl2 Co2 Fe2 N32 O10 -","- C200 H236 B4 Cl4 Co4 Fe4 N64 O20 -","2","0.5","","Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu","Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1616","1622","10.1039/d2dt03328c","","","0.71073","MoKα","","0.1274","0.0869","","","0.2238","0.2609","","","","","","1.012","","","","has coordinates","283305","2023-05-05","02:19:44",""
"7712146","22.146","0.003","14.8401","0.0018","22.231","0.003","90","","109.343","0.004","90","","6893.8","1.6","260","2","260.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C100 H118 B2 Cl2 Co2 Fe2 N32 O10 -","- C100 H118 B2 Cl2 Co2 Fe2 N32 O10 -","- C200 H236 B4 Cl4 Co4 Fe4 N64 O20 -","2","0.5","","Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu","Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1616","1622","10.1039/d2dt03328c","","","0.71073","MoKα","","0.0993","0.0693","","","0.1843","0.2114","","","","","","1.022","","","","has coordinates","283305","2023-05-05","02:19:44",""
"7712147","23.019","0.004","17.917","0.003","27.567","0.005","90","","91.42","0.007","90","","11366","3","260","2","260.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H118 B2 Cl2 Co2 Fe2 N32 O8 -","- C100 H118 B2 Cl2 Co2 Fe2 N32 O8 -","- C400 H472 B8 Cl8 Co8 Fe8 N128 O32 -","4","0.5","","Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu","Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1616","1622","10.1039/d2dt03328c","","","0.71073","MoKα","","0.0973","0.0745","","","0.1962","0.214","","","","","","1.117","","","","has coordinates","283305","2023-05-05","02:19:44",""
"7712148","14.246","0.002","15.814","0.002","16.329","0.002","72.318","0.005","73.993","0.005","69.773","0.005","3228.2","0.7","260","2","260","","","","","","","","","8","P -1","-P 1","2","","","","- C114 H136 B2 Cl2 Co2 Fe2 N35 O8 -","- C114 H136 B2 Cl2 Co2 Fe2 N35 O8 -","- C114 H136 B2 Cl2 Co2 Fe2 N35 O8 -","1","0.5","","Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu","Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1616","1622","10.1039/d2dt03328c","","","0.71073","MoKα","","0.0829","0.0574","","","0.1678","0.1927","","","","","","1.027","","","","has coordinates,has disorder","283305","2023-05-05","02:19:44",""
"7712149","31.0364","0.0017","14.37","0.0009","19.341","0.0012","90","","90","","90","","8626","0.9","153","2","153.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H40 B2 F8 N4 O4 Pd2 -","- C42 H40 B2 F8 N4 O4 Pd2 -","- C336 H320 B16 F64 N32 O32 Pd16 -","8","1","","Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1568","1573","10.1039/d2dt03521a","","x-ray","0.71075","MoKα","","0.1433","0.0743","","","0.2127","0.2496","","","","","","1.05","","","","has coordinates,has disorder","283295","2023-05-05","02:14:17",""
"7712150","17.7178","0.0007","11.1501","0.0005","18.1341","0.0008","90","","112.671","0.0013","90","","3305.7","0.2","123","2","123.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 B2 F8 N3 Pd3 -","- C29 H37 B2 F8 N3 Pd3 -","- C116 H148 B8 F32 N12 Pd12 -","4","0.5","","Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1568","1573","10.1039/d2dt03521a","","","0.71075","MoKα","","0.0623","0.0507","","","0.1352","0.1488","","","","","","1.023","","","","has coordinates,has disorder","283295","2023-05-05","02:14:31",""
"7712151","13.6501","0.0007","13.9198","0.0007","14.6715","0.0006","116.09","0.004","97.842","0.003","110.614","0.0015","2198.2","0.2","153","2","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H40.5 B2 F8 N3 O2 Pd3 -","- C44.5 H40.5 B2 F8 N3 O2 Pd3 -","- C89 H81 B4 F16 N6 O4 Pd6 -","2","1","","Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1568","1573","10.1039/d2dt03521a","","","0.71075","MoKα","","0.0459","0.0435","","","0.1149","0.1169","","","","","","1.058","","","","has coordinates","283295","2023-05-05","02:14:44",""
"7712152","29.5654","0.0007","12.3888","0.0003","23.065","0.0006","90","","113.243","0.0008","90","","7762.6","0.3","123","2","123.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Cl6 Pd2 -","- C40 H36 Cl4 Pd2 -","- C320 H288 Cl32 Pd16 -","8","1","","Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1568","1573","10.1039/d2dt03521a","","","0.71075","MoKα","","0.0405","0.0325","","","0.0768","0.0815","","","","","","1.076","","","","has coordinates","283295","2023-05-05","02:14:59",""
"7712153","17.2396","0.0006","18.0521","0.0007","15.9775","0.0007","90","","108.59","0.0012","90","","4712.9","0.3","153.15","","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 B2 F8 N5 Pd3 -","- C44 H40 B2 F8 N4 Pd3 -","- C176 H160 B8 F32 N16 Pd12 -","4","1","","Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1568","1573","10.1039/d2dt03521a","","","0.71075","MoKα","","0.0784","0.056","","","0.1521","0.1643","","","","","","1.088","","","","has coordinates","283295","2023-05-05","02:15:02",""
"7712154","34.0344","0.0002","34.0344","0.0002","21.8653","0.0003","90","","90","","120","","21934.2","0.4","170","2","170","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C31.8 H33.7 Cl6 Fe4 N4.7 O6.4 -","- C31.8 H30 Cl6 Fe4 N4.7 O6.4 -","- C572.4 H540 Cl108 Fe72 N84.6 O115.2 -","18","0.5","","Tzani, Sofia; Pissas, Michael; Psycharis, Vassilis; Pantazis, Dimitrios A.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with <i>in situ</i> formed ligands from methyl-2-pyridyl ketone transformations.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1582","1594","10.1039/d2dt03944c","","","1.54178","CuKα","","0.0784","0.0553","","","0.1346","0.1583","","","","","","1.086","","","","has coordinates,has disorder","283296","2023-05-05","02:15:16",""
"7712155","11.0768","0.0002","12.964","0.0002","13.9148","0.0003","112.906","0.001","101.93","0.001","105.515","0.001","1661.22","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32.4 Cl4 Fe3 N3 O8.2 -","- C24 H32 Cl4 Fe3 N3 O8.2 -","- C48 H64 Cl8 Fe6 N6 O16.4 -","2","1","","Tzani, Sofia; Pissas, Michael; Psycharis, Vassilis; Pantazis, Dimitrios A.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with <i>in situ</i> formed ligands from methyl-2-pyridyl ketone transformations.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1582","1594","10.1039/d2dt03944c","","","1.54178","CuKα","","0.0911","0.0557","","","0.1115","0.1591","","","","","","1.123","","","","has coordinates","283296","2023-05-05","02:15:16",""
"7712156","12.6211","0.0002","14.7753","0.0003","16.6912","0.0003","70.242","0.002","73.531","0.002","88.998","0.001","2798.56","0.1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Co2.4 Cr2 K0.2 O25.5 S6 -","- C36 H24 Co2.4 Cr2 K0.2 O25.5 S6 -","- C72 H48 Co4.8 Cr4 K0.4 O51 S12 -","2","1","","Wakizaka, Masanori; Matsumoto, Takeshi; Chang, Ho-Chol","Switching of the redox centers of a tris-2-mercaptophenolato chromium(III) metalloligand by a guest metal ion.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1538","1542","10.1039/d2dt03502b","","x-ray","0.71073","MoKα","","0.0694","0.062","","","0.1753","0.1817","","","","","","1.058","","","","has coordinates","283303","2023-05-05","02:19:01",""
"7712157","9.6601","0.0003","13.6102","0.0005","17.3381","0.0006","90","","96.065","0.003","90","","2266.78","0.13","150","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl2 Cu2 N8 P2 -","- C50 H38 Cl2 Cu2 N8 P2 -","- C100 H76 Cl4 Cu4 N16 P4 -","2","0.5","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.1143","0.0491","","","0.0921","0.1097","","","","","","1.039","","","","has coordinates","283302","2023-05-05","02:18:18",""
"7712158","10.1156","0.0002","10.2713","0.0002","13.6838","0.0003","106.577","0.002","91.571","0.002","118.819","0.002","1170.63","0.05","150","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 Cu2 I2 N8 P2 -","- C50 H38 Cu2 I2 N8 P2 -","- C50 H38 Cu2 I2 N8 P2 -","1","0.5","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.0501","0.0345","","","0.071","0.0766","","","","","","1.035","","","","has coordinates","283302","2023-05-05","02:18:28",""
"7712159","10.1388","0.0005","9.0469","0.0005","25.0966","0.0015","90","","101.23","0.006","90","","2257.9","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Au Cl N4 P -","- C25 H19 Au Cl N4 P -","- C100 H76 Au4 Cl4 N16 P4 -","4","1","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.0453","0.0317","","","0.0544","0.0615","","","","","","1.081","","","","has coordinates","283302","2023-05-05","02:18:31",""
"7712160","10.2231","0.0001","10.868","0.0001","13.3111","0.0002","99.439","0.001","112.012","0.001","101.442","0.001","1296.82","0.03","150","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Ag2 I2 N10 P2 -","- C54 H44 Ag2 I2 N10 P2 -","- C54 H44 Ag2 I2 N10 P2 -","1","0.5","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.0507","0.0297","","","0.0571","0.0629","","","","","","1.052","","","","has coordinates","283302","2023-05-05","02:18:42",""
"7712161","12.6389","0.0002","16.3194","0.0002","15.3635","0.0002","90","","91.751","0.001","90","","3167.38","0.08","100","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 Cu I N6 P -","- C37 Cu I N6 P -","- C148 Cu4 I4 N24 P4 -","4","1","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.0548","0.0505","","","0.1571","0.1618","","","","","","1.066","","","","has coordinates","283302","2023-05-05","02:18:42",""
"7712162","9.6861","0.0002","13.5067","0.0003","17.6907","0.0004","90","","95.2177","0.0019","90","","2304.84","0.09","150","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Br2 Cu2 N8 P2 -","- C50 H38 Br2 Cu2 N8 P2 -","- C100 H76 Br4 Cu4 N16 P4 -","2","0.5","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.0795","0.0388","","","0.075","0.0869","","","","","","1.037","","","","has coordinates","283302","2023-05-05","02:18:42",""
"7712163","9.437","0.0002","13.3374","0.0002","18.7527","0.0004","90","","93.552","0.002","90","","2355.78","0.08","150","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Ag2 Br2 N8 P2 -","- C50 H38 Ag2 Br2 N8 P2 -","- C100 H76 Ag4 Br4 N16 P4 -","2","0.5","","Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.","Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1785","1796","10.1039/d2dt03791b","","","0.71073","MoKα","","0.0587","0.0347","","","0.081","0.0943","","","","","","0.894","","","","has coordinates","283302","2023-05-05","02:18:42",""
"7712164","9.4587","0.0015","11.018","0.0017","30.677","0.005","90","","95.81","0.005","90","","3180.6","0.9","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H44 Ca N2 O8 P2 -","- C28 H44 Ca N2 O8 P2 -","- C112 H176 Ca4 N8 O32 P8 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0656","0.047","","","0.1063","0.115","","","","","","1.092","","","","has coordinates,has disorder","283244","2023-05-05","01:45:32",""
"7712165","10.6494","0.0004","20.781","0.0006","6.8745","0.0002","90","","105.118","0.004","90","","1468.71","0.09","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Ca N2 O4 -","- C16 H14 Ca N2 O4 -","- C64 H56 Ca4 N8 O16 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0689","0.0518","","","0.1356","0.1471","","","","","","1.113","","","","has coordinates","283244","2023-05-05","01:45:32",""
"7712166","9.4853","0.0003","11.0551","0.0003","30.9403","0.0012","90","","96.05","0.003","90","","3226.36","0.18","233.15","","233.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H44 Ca N2 O8 P2 -","- C28 H44 Ca N2 O8 P2 -","- C112 H176 Ca4 N8 O32 P8 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0783","0.0513","","","0.1252","0.1417","","","","","","1.03","","","","has coordinates,has disorder","283244","2023-05-05","01:45:32",""
"7712167","9.4986","0.0003","11.0652","0.0003","30.9438","0.0013","90","","95.932","0.004","90","","3234.9","0.19","203.15","","203.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H44 Ca N2 O8 P2 -","- C28 H44 Ca N2 O8 P2 -","- C112 H176 Ca4 N8 O32 P8 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0731","0.0496","","","0.1274","0.1433","","","","","","1.037","","","","has coordinates,has disorder","283244","2023-05-05","01:45:32",""
"7712168","10.4167","0.0009","9.0382","0.0008","19.3517","0.0016","90","","105.274","0.001","90","","1757.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","2","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","0.71073","MoKα","","0.0504","0.0416","","","0.0798","0.0816","","","","","","1.011","","","","has coordinates","283237","2023-05-05","01:41:42",""
"7712169","10.5166","0.0003","12.0542","0.0005","14.338","0.0004","90","","90","","90","","1817.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","1","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","1.54178","CuKα","","0.0468","0.0451","","","0.1009","0.1015","","","","","","1.1","","","","has coordinates","283237","2023-05-05","01:42:05",""
"7712170","11.307","0.003","12.101","0.003","13.657","0.003","90","","90","","90","","1868.6","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","1","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","0.71073","MoKα","","0.0558","0.0472","","","0.1191","0.1218","","","","","","1.034","","","","has coordinates","283237","2023-05-05","01:42:08",""
"7712171","10.4166","0.0009","9.0426","0.0008","19.36","0.0018","90","","105.247","0.002","90","","1759.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","2","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","0.71073","MoKα","","0.0545","0.0453","","","0.0911","0.0931","","","","","","1.033","","","","has coordinates","283237","2023-05-05","01:42:29",""
"7712172","15.0478","0.0002","27.1305","0.0002","21.1066","0.0002","90","","92.806","0.001","90","","8606.53","0.15","100","0.18","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C105 H81 Cu4 O21.5 Ti4 -","- C96 H72 Cu4 O20 Ti4 -","- C384 H288 Cu16 O80 Ti16 -","4","1","","Liu, Xiao-Xue; Wang, Zi-Rui; Chen, Guang-Hui; Li, Qiao-Hong; Tao, Jun; Zhang, Lei","Cu<sub>4</sub>Ti<sub>4</sub>-oxo clusters functionalized by <i>in situ</i> - generated 2,2'-biphenolate ligands from the oxidative coupling of phenols.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1857","1860","10.1039/d2dt03756d","","","1.54184","CuKα","","0.062","0.0498","","","0.1297","0.1382","","","","","","1.027","","","","has coordinates","283322","2023-05-05","02:24:22",""
"7712173","13.0524","0.0001","13.0524","0.0001","24.5902","0.0002","90","","90","","120","","3628.05","0.05","100","0.1","100.15","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C82 H66 Cu N5 O16 Ti4 -","- C82 H65.9994 Cu N5 O16 Ti4 -","- C164 H131.999 Cu2 N10 O32 Ti8 -","2","0.333333","","Liu, Xiao-Xue; Wang, Zi-Rui; Chen, Guang-Hui; Li, Qiao-Hong; Tao, Jun; Zhang, Lei","Cu<sub>4</sub>Ti<sub>4</sub>-oxo clusters functionalized by <i>in situ</i> - generated 2,2'-biphenolate ligands from the oxidative coupling of phenols.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1857","1860","10.1039/d2dt03756d","","","1.3405","GaKα","","0.0265","0.0262","","","0.0635","0.0636","","","","","","1.097","","","","has coordinates,has disorder","283322","2023-05-05","02:24:33",""
"7712174","14.9176","0.0006","15.1046","0.0005","18.7494","0.0006","71.491","0.003","74.871","0.003","60.432","0.004","3456.5","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Cu4 O16 Ti4 -","- C84 H72 Cu4 O16 Ti4 -","- C168 H144 Cu8 O32 Ti8 -","2","1","","Liu, Xiao-Xue; Wang, Zi-Rui; Chen, Guang-Hui; Li, Qiao-Hong; Tao, Jun; Zhang, Lei","Cu<sub>4</sub>Ti<sub>4</sub>-oxo clusters functionalized by <i>in situ</i> - generated 2,2'-biphenolate ligands from the oxidative coupling of phenols.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1857","1860","10.1039/d2dt03756d","","x-ray","0.71073","MoKα","","0.1174","0.0876","","","0.2232","0.2363","","","","","","1.056","","","","has coordinates","283322","2023-05-05","02:24:43",""
"7712175","43.7509","0.001","19.9772","0.0006","31.941","0.0008","90","","105.317","0.002","90","","26925.4","1.2","172.9","1","172.9","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H75 N9 O41 Pb2 Ti10 -","- C75 H75 N9 O41 Pb2 Ti10 -","- C600 H600 N72 O328 Pb16 Ti80 -","8","1","","Said, Amir; Zhang, Guanyun; Liu, Caiyun; Wang, Dexin; Niu, Huihui; Liu, Yanshu; Chen, Guanjie; Tung, Chen-Ho; Wang, Yifeng","A butterfly-like lead-doped titanium-oxide compound with high performance in photocatalytic cycloaddition of CO<sub>2</sub> to epoxide.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2392","2403","10.1039/d2dt03990g","","","1.54178","CuKα","","0.1172","0.1032","","","0.2827","0.2987","","","","","","1.14","","","","has coordinates,has disorder","283249","2023-05-05","01:48:05",""
"7712176","8.07939","0.00018","10.246","0.0002","11.358","0.0003","96.831","0.0018","110.156","0.002","99.2511","0.0018","855.61","0.04","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C8 H16 Fe Li N6 O7 S2 -","- C8 H16 Fe Li N6 O7 S2 -","- C16 H32 Fe2 Li2 N12 O14 S4 -","2","1","","Blagov, Maxim A.; Spitsyna, Nataliya G.; Ovanesyan, Nikolai S.; Lobach, Anatolii S.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zakharov, Konstantin V.; Vasiliev, Alexander N.","First crystal structure of an Fe(III) anionic complex based on a pyruvic acid thiosemicarbazone ligand with Li<sup>+</sup>: synthesis, features of magnetic behavior and theoretical analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1806","1819","10.1039/d2dt03630d","","x-ray","0.71073","MoKα","","0.0332","0.0277","","","0.0677","0.0703","","","","","","1.003","","","","has coordinates","283304","2023-05-05","02:19:13",""
"7712177","12.766","0.004","29.689","0.008","15.064","0.004","89.982","0.008","101.429","0.008","90.015","0.009","5596","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 F12 N8 O2 P2 Ru -","- C40 H34 F12 N8 O2 P2 Ru -","- C160 H136 F48 N32 O8 P8 Ru4 -","4","1","","Patra, Sumit Kumar; Rabha, Monosh; Sen, Bhaskar; Aguan, Kripamoy; Khatua, Snehadrinarayan","An aggregation induced emission active bis-heteroleptic ruthenium(II) complex for luminescence light-up detection of pyrophosphate ions.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2592","2602","10.1039/d2dt03469g","","","0.71073","MoKα","","0.4986","0.2246","","","0.458","0.5491","","","","","","1.2","","","","has coordinates","283223","2023-05-05","01:36:10",""
"7712178","10.8578","0.0005","10.3183","0.0005","18.2063","0.0009","90","","90.357","0.002","90","","2039.69","0.17","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F3 N8 O3 P S -","- C15 H12 F3 N8 O3 P S -","- C60 H48 F12 N32 O12 P4 S4 -","4","1","","Dionisi, Erica M.; Binder, Justin F.; LaFortune, James H. W.; Macdonald, Charles L. B.","A remarkably stable acyclic phosphamethine cyanine dye.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2448","2454","10.1039/d2dt04085a","","","0.71073","MoKα","","0.0582","0.0383","","","0.0965","0.1062","","","","","","1.025","","","","has coordinates","283241","2023-05-05","01:43:42",""
"7712179","8.8689","0.001","8.0859","0.001","16.865","0.002","90","","104.304","0.004","90","","1171.9","0.2","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 F3 N4 O3 S -","- C8 H7 F3 N4 O3 S -","- C32 H28 F12 N16 O12 S4 -","4","1","","Dionisi, Erica M.; Binder, Justin F.; LaFortune, James H. W.; Macdonald, Charles L. B.","A remarkably stable acyclic phosphamethine cyanine dye.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2448","2454","10.1039/d2dt04085a","","","0.71073","MoKα","","0.0748","0.0443","","","0.0888","0.0992","","","","","","1.06","","","","has coordinates","283241","2023-05-05","01:43:45",""
"7712180","9.1771","0.0005","17.3436","0.0009","12.5507","0.0006","90","","94.606","0.002","90","","1991.17","0.18","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N4 -","- C6 H4 N4 -","- C72 H48 N48 -","12","3","","Dionisi, Erica M.; Binder, Justin F.; LaFortune, James H. W.; Macdonald, Charles L. B.","A remarkably stable acyclic phosphamethine cyanine dye.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2448","2454","10.1039/d2dt04085a","","","0.71073","MoKα","","0.06","0.0438","","","0.1082","0.1259","","","","","","1.118","","","","has coordinates,has disorder","283241","2023-05-05","01:43:47",""
"7712181","13.8161","0.0002","15.6888","0.0002","19.0034","0.0003","89.311","0.001","71.196","0.001","89.017","0.001","3898.62","0.1","297.26","0.1","297.26","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C83 H105 B Dy N5 O4 P2 -","- C83 H105 B Dy N5 O4 P2 -","- C166 H210 B2 Dy2 N10 O8 P4 -","2","1","","Kalita, Pankaj; Ahmed, Naushad; Moorthy, Shruti; Béreau, Virginie; Bar, Arun Kumar; Kumar, Pawan; Nayak, Prakash; Sutter, Jean-Pascal; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","Slow magnetic relaxation in a homoaxially phosphine oxide coordinated pentagonal bipyramidal Dy(III) complex.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2804","2815","10.1039/d2dt03789k","","x-ray","0.71073","MoKα","","0.0552","0.0482","","","0.1261","0.1331","","","","","","1.03","","","","has coordinates,has disorder","283354","2023-05-05","02:45:29",""
"7712182","21.358","0.004","6.416","0.0013","17.041","0.003","90","","122.66","0.03","90","","1966","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cl4 Fe2 N4 O4 S2 -","- C12 H6 Cl4 Fe2 N4 O4 S2 -","- C48 H24 Cl16 Fe8 N16 O16 S8 -","4","0.5","","Pokidova, Olesya V.; Novikova, Veronika O.; Emel'yanova, Nina S.; Kormukhina, Alexandra Yu; Kulikov, Alexander V.; Utenyshev, Andrey N.; Lazarenko, Vladimir A.; Ovanesyan, Nikolai S.; Starostina, Arina A.; Sanina, Natalya A.","A nitrosyl iron complex with 3.4-dichlorothiophenolyl ligands: synthesis, structures and its reactions with targets - carriers of nitrogen oxide (NO) <i>in vivo</i>.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2641","2662","10.1039/d2dt04047f","","","0.745","synchrotron","","0.0498","0.0443","","","0.1357","0.1387","","","","","","1.215","","","","has coordinates","283353","2023-05-05","02:44:27",""
"7712183","20.1781","0.0004","22.0626","0.0004","19.6871","0.0003","90","","109.676","0.0019","90","","8252.6","0.3","150","","150","","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H43 Cl2 N9 O7 S -","- C40 H43 Cl2 N9 O7 S -","- C320 H344 Cl16 N72 O56 S8 -","8","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","1.54184","CuKα","","0.0754","0.0671","","0.197","0.188","0.197","","","","","","0.9996","","","","has coordinates","283326","2023-05-05","02:28:58",""
"7712184","13.835","0.003","26.283","0.005","17.57","0.004","90","","111.88","0.03","90","","5929","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H43 N9 O9 Zn -","- C38 H43 N9 O9 Zn -","- C152 H172 N36 O36 Zn4 -","4","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","0.71075","Synchrotron","","0.1516","0.1366","","","0.3436","0.3509","","","","","","1.004","","","","has coordinates","283326","2023-05-05","02:28:58",""
"7712185","24.3689","0.0009","6.0698","0.0002","32.7063","0.0013","90","","107.273","0.004","90","","4619.6","0.3","150","","150","","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 N16 O6 -","- C44 H48 N16 O6 -","- C176 H192 N64 O24 -","4","0.5","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","1.54184","CuKα","","0.0937","0.0759","","0.1946","0.1848","0.1946","","","","","","1.0341","","","","has coordinates","283326","2023-05-05","02:28:58",""
"7712186","13.2676","0.0003","13.9658","0.0004","14.0241","0.0004","66.859","0.003","81.243","0.002","71.62","0.002","2266.39","0.12","150","","150","","","","","","","","synthesized","8","P -1","-P 1","2","","","","- C41 H45 B Br F4 N9 O7 Pd -","- C41 H45 B Br F4 N9 O7 Pd -","- C82 H90 B2 Br2 F8 N18 O14 Pd2 -","2","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","1.54184","CuKα","","0.0367","0.0352","","0.0922","0.091","0.0922","","","","","","1.0137","","","","has coordinates,has disorder","283326","2023-05-05","02:28:58",""
"7712187","13.238","0.003","13.973","0.003","14","0.003","66.81","0.03","81.1","0.03","71.56","0.03","2256.8","1.1","100","","100","","","","","","","","synthesized","8","P -1","-P 1","2","","","","- C41 H45 B Br F4 N9 O7 Pd -","- C41 H45 B Br F4 N9 O7 Pd -","- C82 H90 B2 Br2 F8 N18 O14 Pd2 -","2","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","0.71075","synchrotron","","0.0557","0.0518","","0.1527","0.1467","0.1527","","","","","","0.994","","","","has coordinates,has disorder","283326","2023-05-05","02:28:58",""
"7712188","9.3736","0.0004","14.5616","0.0007","17.2045","0.0005","75.166","0.003","77.178","0.003","75.894","0.004","2169.5","0.16","150","","150","","","","","","","","synthesized","8","P -1","-P 1","2","","","","- C41 H41 B Cl F4 N11 O6 Pd -","- C41 H41 B Cl F4 N11 O6 Pd -","- C82 H82 B2 Cl2 F8 N22 O12 Pd2 -","2","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","0.71073","MoKα","","0.0682","0.0453","","0.0993","0.0877","0.0993","","","","","","1.0045","","","","has coordinates","283326","2023-05-05","02:28:59",""
"7712189","9.66","0.019","13.938","0.003","17.09","0.003","109.45","0.03","100.95","0.03","100.13","0.03","2058","4","100","","100","","","","","","","","synthesized","8","P -1","-P 1","2","","","","- C39 H38 B F4 I N10 O6 Pd -","- C39 H38 B F4 I N10 O6 Pd -","- C78 H76 B2 F8 I2 N20 O12 Pd2 -","2","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","0.71075","synchrotron","","0.0978","0.08","","0.2555","0.2097","0.2522","","","","","","0.9846","","","","has coordinates","283326","2023-05-05","02:28:59",""
"7712190","16.286","0.003","16.323","0.003","21.177","0.004","106.89","0.03","90.64","0.03","92.77","0.03","5378.6","1.9","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C108 H146 Br2 N21 O12.5 -","- C108 H146 Br2 N21 O12.5 -","- C216 H292 Br4 N42 O25 -","2","1","","David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.","Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1902","1912","10.1039/d2dt03985k","","","0.71075","Synchrotron","","0.0686","0.0618","","0.1774","0.1676","0.1774","","","","","","0.9952","","","","has coordinates,has disorder","283326","2023-05-05","02:28:59",""
"7712191","7.1569","0.001","12.192","0.002","12.5351","0.0017","99.432","0.013","103.986","0.012","90.464","0.013","1045.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H88 B10 Mg5 N12 -","- C12 H88 B10 Mg5 N12 -","- C12 H88 B10 Mg5 N12 -","1","0.5","","Golub, Igor E.; Heere, Michael; Gounaris, Volodia; Li, Xiao; Steenhaut, Timothy; Wang, Jian; Robeyns, Koen; Li, Hai-Wen; Dovgaliuk, Iurii; Ikeda, Kazutaka; Hautier, Geoffroy; Filinchuk, Yaroslav","Structural insight into the magnesium borohydride - ethylenediamine solid-state Mg-ion electrolyte system.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2404","2411","10.1039/d2dt03567g","","","0.798","synchrotron","","0.166","0.096","","","0.1873","0.2102","","","","","","1.112","","","","has coordinates","283247","2023-05-05","01:47:36",""
"7712192","9.358","0.0004","8.8374","0.0004","7.1311","0.0003","90","","90","","90","","589.74","0.04","446","","446","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H24 B2 Mg N4 -","- C4 H24 B2 Mg N4 -","- C8 H48 B4 Mg2 N8 -","2","0.5","","Golub, Igor E.; Heere, Michael; Gounaris, Volodia; Li, Xiao; Steenhaut, Timothy; Wang, Jian; Robeyns, Koen; Li, Hai-Wen; Dovgaliuk, Iurii; Ikeda, Kazutaka; Hautier, Geoffroy; Filinchuk, Yaroslav","Structural insight into the magnesium borohydride - ethylenediamine solid-state Mg-ion electrolyte system.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2404","2411","10.1039/d2dt03567g","powder diffraction","","","X-ray","","","","","","","","","14.5004","","","","","","","","has coordinates","283247","2023-05-05","01:47:39",""
"7712193","26.758","0.002","26.758","0.002","29.967","0.002","90","","90","","90","","21456","3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C116 H251 Cu27 N12 O2 S24 -","- C108 H231 Cu27 N12 S24 -","- C432 H924 Cu108 N48 S96 -","4","0.25","","Silalahi, Rhone P Brocha; Liao, Jian-Hong; Tseng, Yu-Fang; Chiu, Tzu-Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Unusual core engineering on a copper hydride nanoball.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2106","2114","10.1039/d2dt03449b","","","0.71073","MoKα","","0.1206","0.0614","","","0.1512","0.1962","","","","","","1.025","","","","has coordinates","283315","2023-05-05","02:22:31",""
"7712194","15.5252","0.0003","15.5252","0.0003","60.112","0.002","90","","90","","120","","12547.8","0.5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C78 H74 Ce2 N6 O25 P6 -","- C78 H72 Ce2 N6 O24.9998 P6 -","- C468 H432 Ce12 N36 O149.999 P36 -","6","0.166667","","Pilichos, Evangelos; Tubau, Ànnia; Speed, Saskia; Font-Bardia, Mercè; Escuer, Albert; Grabulosa, Arnald; Mayans, Júlia","Magnetic and optical studies of a new family of multidimensional and multiproperty PO-lanthanide(III) derived systems.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2485","2494","10.1039/d2dt03621e","","","0.71073","MoKα","","0.0826","0.048","","","0.1138","0.1293","","","","","","1.045","","","","has coordinates,has disorder","283250","2023-05-05","01:48:27",""
"7712195","9.1723","0.0005","17.7763","0.001","20.8583","0.0012","90","","102.952","0.003","90","","3314.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Eu N4 O12 P2 -","- C29 H31 Eu N4 O12 P2 -","- C116 H124 Eu4 N16 O48 P8 -","4","1","","Pilichos, Evangelos; Tubau, Ànnia; Speed, Saskia; Font-Bardia, Mercè; Escuer, Albert; Grabulosa, Arnald; Mayans, Júlia","Magnetic and optical studies of a new family of multidimensional and multiproperty PO-lanthanide(III) derived systems.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2485","2494","10.1039/d2dt03621e","","","0.71073","MoKα","","0.0331","0.0316","","","0.0724","0.0735","","","","","","1.394","","","","has coordinates","283250","2023-05-05","01:48:28",""
"7712196","17.0768","0.0007","9.9525","0.0005","20.5086","0.001","90","","104.076","0.002","90","","3380.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Gd N4 O12 P2 -","- C29 H31 Gd N4 O12 P2 -","- C116 H124 Gd4 N16 O48 P8 -","4","1","","Pilichos, Evangelos; Tubau, Ànnia; Speed, Saskia; Font-Bardia, Mercè; Escuer, Albert; Grabulosa, Arnald; Mayans, Júlia","Magnetic and optical studies of a new family of multidimensional and multiproperty PO-lanthanide(III) derived systems.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2485","2494","10.1039/d2dt03621e","","","0.71073","MoKα","","0.0428","0.0271","","","0.053","0.0571","","","","","","1.025","","","","has coordinates,has disorder","283250","2023-05-05","01:48:28",""
"7712197","28.132","0.003","9.2296","0.0009","16.8237","0.0015","90","","94.638","0.002","90","","4353.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Bi2 Cu2 I12 N4 -","- C16 H36 Bi2 Cu2 I12 N4 -","- C64 H144 Bi8 Cu8 I48 N16 -","4","0.5","","Li, Jun; Liu, Ming-Hui; Shen, Hong-Yao; Liu, Meng-Zhen; Wu, Jin-Ting; Zhang, Bo","A semiconductive copper iodobismuthate hybrid: Structure, optical property and photocurrent response","Dalton Transactions","2023","","","","","10.1039/D2DT03998B","","","0.71073","MoKα","","0.0854","0.0611","","","0.1689","0.1825","","","","","","1.078","","","","has coordinates","280622","2023-01-26","23:54:09",""
"7712198","10.09632","0.00017","20.7085","0.0004","20.9765","0.0003","90","","90.7143","0.0016","90","","4385.42","0.13","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 Ir P4 -","- C52 H49 Ir P4 -","- C208 H196 Ir4 P16 -","4","1","","Kisten, Paven; Manoury, Eric; Lledós, Agustí; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.; Duckett, Simon B.; Poli, Rinaldo","Ir<sup>I</sup>(η<sup>4</sup>-diene) precatalyst activation by strong bases: formation of an anionic Ir<sup>III</sup> tetrahydride.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2495","2505","10.1039/d2dt04036k","","x-ray","1.54184","CuKα","","0.0336","0.0238","","","0.0499","0.054","","","","","","1.032","","","","has coordinates","283252","2023-05-05","01:48:58",""
"7712199","14.0891","0.0002","10.14941","0.00014","20.5215","0.0003","90","","90.8366","0.0015","90","","2934.18","0.07","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl Ir P2 -","- C34 H36 Cl Ir P2 -","- C136 H144 Cl4 Ir4 P8 -","4","1","","Kisten, Paven; Manoury, Eric; Lledós, Agustí; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.; Duckett, Simon B.; Poli, Rinaldo","Ir<sup>I</sup>(η<sup>4</sup>-diene) precatalyst activation by strong bases: formation of an anionic Ir<sup>III</sup> tetrahydride.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2495","2505","10.1039/d2dt04036k","","x-ray","0.71073","MoKα","","0.0367","0.0271","","","0.0518","0.0569","","","","","","1.054","","","","has coordinates","283252","2023-05-05","01:49:00",""
"7712200","11.7376","0.0003","19.5388","0.0005","20.5479","0.0004","61.751","0.002","73.618","0.002","89.605","0.002","3937.71","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 B N4 P -","- C42 H60 B N4 P -","- C168 H240 B4 N16 P4 -","4","2","","Owarzany, Rafał; Jaroń, Tomasz; Kazimierczuk, Krzysztof; Malinowski, Przemysław J.; Grochala, Wojciech; Fijalkowski, Karol J.","Towards hydrogen-rich ionic (NH4)(BH3NH2BH2NH2BH3) and related molecular NH3BH2NH2BH2NH2BH3","Dalton Transactions","2023","","","","","10.1039/D2DT03674F","","","1.54184","CuKα","","0.088","0.0695","","","0.1907","0.2094","","","","","","1.048","","","","has coordinates,has disorder","280625","2023-01-26","23:55:18",""
"7712201","13.391","0.01","13.195","0.008","17.822","0.012","90","","125.86","0.04","90","","2552","3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B12 H58 N12 -","- B12 H58 N12 -","- B48 H232 N48 -","4","1","","Owarzany, Rafał; Jaroń, Tomasz; Kazimierczuk, Krzysztof; Malinowski, Przemysław J.; Grochala, Wojciech; Fijalkowski, Karol J.","Towards hydrogen-rich ionic (NH4)(BH3NH2BH2NH2BH3) and related molecular NH3BH2NH2BH2NH2BH3","Dalton Transactions","2023","","","","","10.1039/D2DT03674F","powder diffraction","x-ray","1.5418","CuKα","","0.0665","0.0665","","0.0657","0.0657","","","","2.3754","","","","","","","has coordinates","280626","2023-01-26","23:55:45",""
"7712202","16.2932","0.0008","11.1212","0.0006","13.2838","0.0007","90","","108.853","0.001","90","","2277.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 O4 -","- C24 H18 Fe2 O4 -","- C96 H72 Fe8 O16 -","4","1","","Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen","Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2722","2734","10.1039/d2dt03700a","","","0.71073","MoKα","","0.0829","0.0488","","","0.1156","0.1335","","","","","","1.014","","","","has coordinates,has disorder","283221","2023-05-05","01:35:12",""
"7712203","16.2932","0.0008","11.1212","0.0006","13.2838","0.0007","90","","108.853","0.001","90","","2277.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.25 H18.5 Cl0.5 Fe2 O4 -","- C24 H18 Fe2 O4 -","- C96 H72 Fe8 O16 -","4","1","","Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen","Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2722","2734","10.1039/d2dt03700a","","","0.71073","MoKα","","0.0829","0.0488","","","0.1156","0.1335","","","","","","1.014","","","","has coordinates,has disorder","283221","2023-05-05","01:35:13",""
"7712204","18.2892","0.0003","24.9311","0.0005","10.3706","0.0002","90","","106.447","0.0007","90","","4535.2","0.15","90","","90","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H39 F2 Fe4 O6 -","- C53 H39 F2 Fe4 O6 -","- C212 H156 F8 Fe16 O24 -","4","1","","Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen","Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2722","2734","10.1039/d2dt03700a","","","0.71073","MoKα","","0.0397","0.0278","","","","0.0491","","","","","","1.6353","","","","has coordinates","283221","2023-05-05","01:35:13",""
"7712205","18.2892","0.0003","24.9311","0.0005","10.3706","0.0002","90","","106.447","0.0007","90","","4535.2","0.15","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H39 F2 Fe4 O6 -","- C53 H39 F2 Fe4 O6 -","- C212 H156 F8 Fe16 O24 -","4","1","","Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen","Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2722","2734","10.1039/d2dt03700a","","","0.71073","MoKα","","0.055","0.0348","","","0.0788","0.0869","","","","","","1.008","","","","has coordinates,has disorder","283221","2023-05-05","01:35:13",""
"7712206","7.4727","0.0018","7.4727","0.0018","7.4727","0.0018","90","","90","","90","","417.28","0.17","453.15","","453.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C4 H9 Cs I3 N2 -","- Cs I3 N6 -","- Cs I3 N6 -","1","0.0208333","","Wang, Ze-Jie; Wu, Ling-Kun; Wang, Na; Hu, Qian-Qian; Li, Jian-Rong; Ye, Heng-Yun","Tuning the luminescent properties of a three-dimensional perovskite ferroelectric (Me-Hdabco)CsI<sub>3</sub><i>via</i> Sn(II) doping.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2799","2803","10.1039/d2dt03939g","","","0.71073","MoKα","","0.0633","0.0541","","","0.1615","0.1677","","","","","","1.113","","","","has coordinates","283352","2023-05-05","02:43:53",""
"7712207","20.4211","0.0009","21.4617","0.0008","14.8276","0.0006","90","","90.481","0.003","90","","6498.3","0.5","273","0.1","273","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H64 Cs4 I12 N8 -","- C28 H64 Cs4 I12 N8 -","- C112 H256 Cs16 I48 N32 -","4","1","","Wang, Ze-Jie; Wu, Ling-Kun; Wang, Na; Hu, Qian-Qian; Li, Jian-Rong; Ye, Heng-Yun","Tuning the luminescent properties of a three-dimensional perovskite ferroelectric (Me-Hdabco)CsI<sub>3</sub><i>via</i> Sn(II) doping.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2799","2803","10.1039/d2dt03939g","","x-ray","0.71073","MoKα","","0.0654","0.0527","","","0.1507","0.158","","","","","","1.085","","","","has coordinates","283352","2023-05-05","02:43:56",""
"7712208","15.8316","0.0005","14.0437","0.0004","9.7168","0.0003","90","","95.863","0.003","90","","2149.08","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 As2 F6 O6 S2 Sn -","- C12 H16 As2 F6 O6 S2 Sn -","- C48 H64 As8 F24 O24 S8 Sn4 -","4","0.5","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.0246","0.0203","","","0.0453","0.0464","","","","","","1.054","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712209","10.4025","0.0002","10.452","0.0002","11.9474","0.0003","105.687","0.002","106.932","0.002","110.441","0.002","1059.39","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H16 F6 O6 P2 Pb S2 -","- C12 H16 F6 O6 P2 Pb S2 -","- C24 H32 F12 O12 P4 Pb2 S4 -","2","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.0219","0.0192","","","0.0419","0.043","","","","","","1.035","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712210","10.582","0.0001","21.4899","0.0002","9.7286","0.0001","90","","95.151","0.001","90","","2203.41","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 As2 F6 O6 Pb S2 -","- C12 H16 As2 F6 O6 Pb S2 -","- C48 H64 As8 F24 O24 Pb4 S8 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","1.54184","CuKα","","0.0294","0.0289","","","0.0675","0.0678","","","","","","1.053","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712211","16.2539","0.0003","24.0871","0.0005","20.0157","0.0005","90","","90","","90","","7836.3","0.3","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C56 H98 F18 O23 P6 S6 Sn3 -","- C36 H48 F18 O18 P6 S6 Sn3 -","- C144 H192 F72 O72 P24 S24 Sn12 -","4","0.5","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.0959","0.0602","","","0.1519","0.1674","","","","","","1.042","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01",""
"7712212","15.8064","0.0005","10.1469","0.0002","27.2193","0.0006","90","","91.081","0.002","90","","4364.82","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 F6 O7 P3 S2 Sn -","- C40 H43 F6 O7 P3 S2 Sn -","- C160 H172 F24 O28 P12 S8 Sn4 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","1.54184","CuKα","","0.0671","0.0624","","","0.1642","0.1681","","","","","","1.085","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712213","16.3354","0.0005","14.2959","0.0003","21.6774","0.0005","90","","102.94","0.002","90","","4933.8","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 F6 N O6 P4 Pb S2 -","- C46 H45 F6 N O6 P4 Pb S2 -","- C184 H180 F24 N4 O24 P16 Pb4 S8 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0314","","","0.0515","0.0546","","","","","","1.019","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712214","26.1551","0.0008","8.803","0.0002","33.6112","0.0009","90","","107.604","0.003","90","","7376.3","0.4","100","0.1","100.15","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C33 H26 Cl2 F6 O6 P2 S2 Sn -","- C33 H26 Cl2 F6 O6 P2 S2 Sn -","- C264 H208 Cl16 F48 O48 P16 S16 Sn8 -","8","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","","0.71073","MoKα","","0.0646","0.0497","","","0.1084","0.1126","","","","","","1.138","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712215","16.1811","0.0002","14.4984","0.0001","21.3672","0.0002","90","","97.948","0.001","90","","4964.59","0.09","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl2 F6 O6 P4 S2 Sn -","- C45 H44 Cl2 F6 O6 P4 S2 Sn -","- C180 H176 Cl8 F24 O24 P16 S8 Sn4 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","1.54184","CuKα","","0.0391","0.0379","","","0.1045","0.1054","","","","","","1.05","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712216","12.7643","0.0002","16.7092","0.0002","26.6628","0.0003","78.501","0.001","89.422","0.001","69.688","0.001","5215.19","0.13","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C105.5 H64 B2 Cl F48 P3 Sn -","- C105.5 H64 B2 Cl F48 P3 Sn -","- C211 H128 B4 Cl2 F96 P6 Sn2 -","2","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","","0.71073","MoKα","","0.0536","0.0443","","","0.0987","0.1032","","","","","","1.036","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01",""
"7712217","12.7607","0.0002","16.7182","0.0002","26.6413","0.0003","78.088","0.001","89.049","0.001","69.761","0.001","5208.49","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C105.5 H64 B2 Cl F48 P3 Pb -","- C105.5 H64 B2 Cl F48 P3 Pb -","- C211 H128 B4 Cl2 F96 P6 Pb2 -","2","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","","0.71073","MoKα","","0.0383","0.0343","","","0.0794","0.0815","","","","","","1.028","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01",""
"7712218","12.7353","0.0001","16.7939","0.0002","26.6298","0.0003","79.107","0.001","89.462","0.001","69.13","0.001","5215.47","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C105.5 H64 B2 Cl F48 Ge P3 -","- C105.5 H64 B2 Cl F48 Ge P3 -","- C211 H128 B4 Cl2 F96 Ge2 P6 -","2","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","","0.71073","MoKα","","0.0508","0.044","","","0.1048","0.1091","","","","","","1.016","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01",""
"7712219","20.7298","0.0002","29.4124","0.0002","29.6444","0.0002","90","","90","","90","","18074.6","0.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C88 H81 F12 N O12 P6 Pb2 S4 -","- C88 H81 F12 N O12 P6 Pb2 S4 -","- C704 H648 F96 N8 O96 P48 Pb16 S32 -","8","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.0244","0.0191","","","0.0426","0.0448","","","","","","1.017","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01",""
"7712220","14.4972","0.0006","16.568","0.0006","15.779","0.0006","90","","92.497","0.002","90","","3786.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ir-Pd-I3-L","","- C35 H41 I3 Ir N7 Pd -","- C35 H41 I3 Ir N7 Pd -","- C140 H164 I12 Ir4 N28 Pd4 -","4","1","","Majumder, Adhir; Naskar, Rajat; Roy, Pallabi; Mondal, Bhaskar; Garai, Somenath; Maity, Ramananda","A naphthalene-based heterobimetallic triazolylidene Ir<sup>III</sup>/Pd<sup>II</sup> complex: regioselective to regiospecific C-H activation, tandem catalysis and a copper-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2272","2281","10.1039/d2dt03508a","","","1.54178","CuKα","","0.1241","0.101","","","0.2339","0.2485","","","","","","1.079","","","","has coordinates","283238","2023-05-05","01:42:57",""
"7712221","6.1544","0.0003","14.5977","0.0006","16.1823","0.0007","90","","90","","90","","1453.82","0.11","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Br2.97 Cl1.03 N2 O Pb -","- C5 H14 Br2.971 Cl1.029 N2 O Pb -","- C20 H56 Br11.884 Cl4.116 N8 O4 Pb4 -","4","1","","Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan","Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission","Dalton Transactions","2023","","","","","10.1039/D2DT04006A","","","0.71073","MoKα","","0.059","0.0442","","","0.1106","0.1205","","","","","","1.048","","","","has coordinates","280683","2023-01-31","00:13:46",""
"7712222","20.003","0.0014","19.9002","0.0011","17.2847","0.0011","90","","105.098","0.007","90","","6642.9","0.8","120","0.2","120","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H54 F6 N6 Ni O10 S2 -","- C72 H54 F6 N6 Ni O10 S2 -","- C288 H216 F24 N24 Ni4 O40 S8 -","4","1","","Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan","Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission","Dalton Transactions","2023","","","","","10.1039/D2DT04006A","","x-ray","0.71073","MoKα","","0.2032","0.0933","","","0.1899","0.261","","","","","","1.022","","","","has coordinates,has disorder","280683","2023-01-31","00:13:48",""
"7712223","16.4958","0.0005","20.9832","0.0007","41.0349","0.0014","90","","93.595","0.003","90","","14175.7","0.8","119.99","0.15","119.99","0.15","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H54 F12 Mn N8 O12 S4 -","- C74 H54 F12 Mn N8 O12 S4 -","- C592 H432 F96 Mn8 N64 O96 S32 -","8","2","","Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan","Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission","Dalton Transactions","2023","","","","","10.1039/D2DT04006A","","","0.71073","MoKα","","0.1236","0.0655","","","0.1451","0.182","","","","","","1.047","","","","has coordinates,has disorder","280683","2023-01-31","00:13:48",""
"7712224","18.2116","0.0005","24.532","0.0006","15.6483","0.0004","90","","105.614","0.003","90","","6733.1","0.3","99.99","0.11","99.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H54 Co F12 N6 O4 P2 -","- C70 H54 Co F12 N6 O4 P2 -","- C280 H216 Co4 F48 N24 O16 P8 -","4","1","","Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan","Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission","Dalton Transactions","2023","","","","","10.1039/D2DT04006A","","x-ray","0.71073","MoKα","","0.1165","0.1031","","","0.1947","0.2014","","","","","","1.161","","","","has coordinates,has disorder","280683","2023-01-31","00:13:48",""
"7712225","3.8497","0.0003","7.3502","0.0005","32.611","0.003","90","","90.006","0.003","90","","922.76","0.13","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cs2 O22 W7 -","- Cs2 O22 W7 -","- Cs4 O44 W14 -","2","1","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.142","0.098","","","0.207","0.2376","","","","","","0.998","","","","has coordinates","280713","2023-01-31","23:56:41",""
"7712226","3.8318","0.0005","7.3295","0.0012","32.06","0.004","90","","90.051","0.006","90","","900.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- O22 Rb2 W7 -","- O22 Rb2 W7 -","- O44 Rb4 W14 -","2","1","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.104","0.0863","","","0.2131","0.2295","","","","","","1.074","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712227","3.8184","0.0005","7.2998","0.0009","25.44","0.003","90","","90.026","0.007","90","","709.1","0.15","298","2","298","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- K4 O35 W11 -","- K4.002 O35 W11 -","- K4.002 O35 W11 -","1","0.5","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.0652","0.0632","","","0.1577","0.1599","","","","","","1.082","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712228","7.3142","0.0005","3.8123","0.0003","31.947","0.002","90","","96.472","0.003","90","","885.13","0.11","298","2","298","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- K2 O22 W7 -","- K2.0005 O22 W7 -","- K4.001 O44 W14 -","2","1","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.0567","0.0548","","","0.1346","0.136","","","","","","1.087","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712229","7.3357","0.0005","3.8684","0.0003","26.4516","0.0018","90","","97.962","0.003","90","","743.39","0.09","293","2","293","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- Cs4 O35 W11 -","- Cs3.998 O35 W11 -","- Cs3.998 O35 W11 -","1","0.5","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.055","0.0513","","","0.126","0.1289","","","","","","1.044","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712230","7.3114","0.0008","3.8154","0.0004","25.877","0.003","90","","98.109","0.003","90","","714.65","0.14","293","2","293","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- O35 Tl4 W11 -","- O35 Tl4 W11 -","- O35 Tl4 W11 -","1","0.5","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.0534","0.0527","","","0.1368","0.1378","","","","","","1.08","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712231","3.8369","0.0003","7.3201","0.0005","25.6712","0.0016","90","","90.006","0.003","90","","721.01","0.09","259","2","259","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- O35 Rb4 W11 -","- O35 Rb4 W11 -","- O35 Rb4 W11 -","1","0.5","","Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest","Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species","Dalton Transactions","2023","","","","","10.1039/D3DT00275F","","","0.71073","MoKα","","0.0622","0.0613","","","0.172","0.1727","","","","","","1.211","","","","has coordinates","280713","2023-01-31","23:56:42",""
"7712232","18.51","0.004","18.37","0.004","9.68","0.0019","90","","96.31","0.03","90","","3271.5","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","DUT-8(Cu)-DMF","","- C30 H24 Cu2 N2 O8 -","- C30 H24 Cu2 N2 O8 -","- C60 H48 Cu4 N4 O16 -","2","0.25","","Maliuta, Mariia; Senkovska, Irena; Thümmler, Ronja; Ehrling, Sebastian; Becker, Sophi; Romaka, Vitaliy; Bon, Volodymyr; Evans, Jack D.; Kaskel, Stefan","Particle size-dependent flexibility in DUT-8(Cu) pillared layer metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2816","2824","10.1039/d3dt00085k","","","0.8939","synchrotron","","0.1213","0.1056","","","0.3546","0.3751","","","","","","1.047","","","","has coordinates,has disorder","283355","2023-05-05","02:45:38",""
"7712233","10.3601","0.0003","16.689","0.0006","10.6015","0.0004","90","","115.329","0.001","90","","1656.78","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H46 B F4 P2 Rh -","- C35 H46 B F4 P2 Rh -","- C70 H92 B2 F8 P4 Rh2 -","2","1","","Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald","Rhodium and ruthenium complexes of methylene-bridged, <i>P</i>-stereogenic, unsymmetrical diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2424","2439","10.1039/d2dt04026c","","","0.71073","MoKα","","0.0264","0.0234","","","0.0496","0.0527","","","","","","1.062","","","","has coordinates","283251","2023-05-05","01:48:40",""
"7712234","10.6343","0.0008","15.3026","0.0011","10.7939","0.0008","90","","92.589","0.003","90","","1754.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl F6 P3 Ru -","- C35 H44 Cl F6 P3 Ru -","- C70 H88 Cl2 F12 P6 Ru2 -","2","1","","Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald","Rhodium and ruthenium complexes of methylene-bridged, <i>P</i>-stereogenic, unsymmetrical diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2424","2439","10.1039/d2dt04026c","","","0.71073","MoKα","","0.0194","0.0187","","","0.0433","0.044","","","","","","1.037","","","","has coordinates","283251","2023-05-05","01:48:40",""
"7712235","15.6831","0.0015","14.2537","0.0013","22.935","0.003","90","","96.936","0.005","90","","5089.4","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H68 B F4 O P4 Rh -","- C54 H68 B F4 O P4 Rh -","- C216 H272 B4 F16 O4 P16 Rh4 -","4","2","","Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald","Rhodium and ruthenium complexes of methylene-bridged, <i>P</i>-stereogenic, unsymmetrical diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2424","2439","10.1039/d2dt04026c","","","0.71073","MoKα","","0.0517","0.0365","","","0.0693","0.0785","","","","","","1.042","","","","has coordinates","283251","2023-05-05","01:48:40",""
"7712236","18.9031","0.0013","26.3085","0.0017","30.518","0.002","90","","90","","90","","15177","1.7","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40.54 H46.83 Cl F3 N3 Ni O0.4 -","- C40.5415 H46.8285 Cl F3 N3 Ni O0.398 -","- C648.664 H749.256 Cl16 F48 N48 Ni16 O6.368 -","16","2","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0687","0.0413","","","0.0987","0.1127","","","","","","1.018","","","","has coordinates,has disorder","280716","2023-02-01","00:02:14",""
"7712237","10.1527","0.0016","17.323","0.003","21.666","0.003","85.386","0.003","88.827","0.003","73.304","0.002","3638","1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H45 Cl F3 N3 Ni O -","- C40 H45 Cl F3 N3 Ni O -","- C160 H180 Cl4 F12 N12 Ni4 O4 -","4","2","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.1001","0.0571","","","0.1225","0.1347","","","","","","0.955","","","","has coordinates","280716","2023-02-01","00:02:15",""
"7712238","14.283","0.003","31.858","0.006","18.444","0.004","90","","109.669","0.003","90","","7903","3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cl F3 N3 Ni O1.5 -","- C42 H50 Cl F3 N3 Ni O1.5 -","- C336 H400 Cl8 F24 N24 Ni8 O12 -","8","2","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.1014","0.0603","","","0.1308","0.143","","","","","","1.046","","","","has coordinates,has disorder","280716","2023-02-01","00:02:15",""
"7712239","22.168","0.0012","13.8817","0.0007","23.0618","0.0013","90","","101.175","0.002","90","","6962.2","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79.18 H94.94 Cl2 N6 Ni2 O0.3 -","- C79.18 H94.95 Cl2 N6 Ni2 O0.2945 -","- C316.72 H379.8 Cl8 N24 Ni8 O1.178 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0953","0.0613","","","0.1082","0.1172","","","","","","1.173","","","","has coordinates,has disorder","280716","2023-02-01","00:02:15",""
"7712240","11.2488","0.0008","18.2387","0.0016","18.472","0.002","90","","93.022","0.005","90","","3784.5","0.6","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 F N3 Ni O -","- C42 H54 F N3 Ni O -","- C168 H216 F4 N12 Ni4 O4 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","","0.71073","MoKα","","0.0717","0.0419","","","0.0846","0.0943","","","","","","1.012","","","","has coordinates","280716","2023-02-01","00:02:15",""
"7712241","22.2308","0.0008","13.9982","0.0005","22.5896","0.0008","90","","103.138","0.001","90","","6845.7","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H91 Cl2 F2 N6 Ni2 O0.5 -","- C78 H91 Cl2 F2 N6 Ni2 O0.5 -","- C312 H364 Cl8 F8 N24 Ni8 O2 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0672","0.0402","","","0.0848","0.095","","","","","","1.022","","","","has coordinates,has disorder","280716","2023-02-01","00:02:15",""
"7712242","10.8395","0.0004","20.9534","0.0008","17.9375","0.0007","90","","99.936","0.001","90","","4012.9","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H54 Cl N3 Ni -","- C47 H54 Cl N3 Ni -","- C188 H216 Cl4 N12 Ni4 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","","0.71073","MoKα","","0.074","0.0487","","","0.1089","0.1207","","","","","","1.016","","","","has coordinates","280716","2023-02-01","00:02:15",""
"7712243","22.2136","0.0008","14.0529","0.0005","23.0928","0.0011","90","","102.877","0.002","90","","7027.5","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H91 Cl2 F2 N6 Ni2 O0.5 -","- C78 H91 Cl2 F2 N6 Ni2 O0.5 -","- C312 H364 Cl8 F8 N24 Ni8 O2 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0639","0.0409","","","0.0888","0.0983","","","","","","1.027","","","","has coordinates,has disorder","280716","2023-02-01","00:02:16",""
"7712244","14.7071","0.0004","15.4345","0.0004","15.409","0.0004","90","","99.657","0.001","90","","3448.23","0.16","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl N3 Ni O -","- C39 H46 Cl N3 Ni O -","- C156 H184 Cl4 N12 Ni4 O4 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0484","0.0337","","","0.0763","0.0834","","","","","","1.028","","","","has coordinates,has disorder","280716","2023-02-01","00:02:16",""
"7712245","12.2319","0.0007","17.7599","0.0011","20.0345","0.0012","87.202","0.002","76.107","0.002","75.606","0.002","4092","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C90.5 H112.5 Cl2 N6.5 Ni2 O6 -","- C90.5 H112.5 Cl2 N6.5 Ni2 O6 -","- C181 H225 Cl4 N13 Ni4 O12 -","2","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0474","0.0328","","","0.0728","0.079","","","","","","1.014","","","","has coordinates,has disorder","280716","2023-02-01","00:02:16",""
"7712246","11.4378","0.0005","33.3598","0.0015","10.2472","0.0005","90","","108.679","0.002","90","","3704","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl F6.01 N3 Ni -","- C40 H42 Cl F6.006 N3 Ni -","- C160 H168 Cl4 F24.024 N12 Ni4 -","4","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0442","0.0329","","","0.0753","0.0806","","","","","","1.023","","","","has coordinates,has disorder","280716","2023-02-01","00:02:16",""
"7712247","26.2539","0.0019","9.9978","0.0007","27.6095","0.0019","90","","90","","90","","7247","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H43 Cl F3 N3 Ni -","- C39 H43 Cl F3 N3 Ni -","- C312 H344 Cl8 F24 N24 Ni8 -","8","2","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0583","0.0395","","","0.0699","0.0756","","","","","","1.015","","","","has coordinates","280716","2023-02-01","00:02:16",""
"7712248","9.6669","0.0013","18.559","0.002","22.077","0.003","72.125","0.003","81.081","0.003","80.178","0.003","3692","0.8","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Cl2 N6 Ni2 O3 -","- C82 H102 Cl2 N6 Ni2 O3 -","- C164 H204 Cl4 N12 Ni4 O6 -","2","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0723","0.0395","","","0.0797","0.0913","","","","","","1.006","","","","has coordinates","280716","2023-02-01","00:02:16",""
"7712249","23.733","0.0014","23.733","0.0014","10.7187","0.0009","90","","90","","120","","5228.5","0.6","90","2","90","2","","","","","","","","6","P 65","P 65","170","","","","- C40.5 H48.5 Cl N3 Ni O0.25 -","- C39 H46 Cl N3 Ni -","- C234 H276 Cl6 N18 Ni6 -","6","1","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0274","0.0246","","","0.0578","0.0593","","","","","","1.024","","","","has coordinates,has disorder","280716","2023-02-01","00:02:16",""
"7712250","7.6695","0.0003","14.0092","0.0006","24.6674","0.0007","85.802","0.003","84.724","0.003","82.011","0.003","2608.6","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H75 As11 Ge5 -","- C30 H75 As11 Ge5 -","- C60 H150 As22 Ge10 -","2","1","","Jobbins, William D.; van IJzendoorn, Bono; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Mehta, Meera","Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2384","2391","10.1039/d2dt04074c","","x-ray","1.54184","CuKα","","0.0809","0.0564","","","0.1504","0.1672","","","","","","1.042","","","","has coordinates,has disorder","283235","2023-05-05","01:40:39",""
"7712251","10.9392","0.0001","20.971","0.0002","18.2317","0.0002","90","","89.951","0.001","90","","4182.46","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H44.5 Ge3 N3.5 O3 P7 -","- C32.5 H44.5 Ge3 N3.5 O3 P7 -","- C130 H178 Ge12 N14 O12 P28 -","4","1","","Jobbins, William D.; van IJzendoorn, Bono; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Mehta, Meera","Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2384","2391","10.1039/d2dt04074c","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0819","0.0829","","","","","","1.058","","","","has coordinates,has disorder","283235","2023-05-05","01:40:44",""
"7712252","14.6729","0.0002","20.5725","0.0003","15.8849","0.0002","90","","94.247","0.001","90","","4781.82","0.11","100","0.3","100","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Ge3 N3 O3 P7 -","- C39 H60 Ge3 N3 O3 P7 -","- C156 H240 Ge12 N12 O12 P28 -","4","1","","Jobbins, William D.; van IJzendoorn, Bono; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Mehta, Meera","Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2384","2391","10.1039/d2dt04074c","","x-ray","1.54184","CuKα","","0.0489","0.0475","","","0.1086","0.1094","","","","","","1.181","","","","has coordinates,has disorder","283235","2023-05-05","01:40:44",""
"7712253","13.2603","0.0003","13.742","0.0003","14.7414","0.0003","73.987","0.002","87.041","0.002","89.564","0.002","2578.49","0.1","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C35 H53 Ge3 N3 O9.5 P7 S3 -","- C35 H53 Ge3 N3 O9.5 P7 S3 -","- C70 H106 Ge6 N6 O19 P14 S6 -","2","1","","Jobbins, William D.; van IJzendoorn, Bono; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Mehta, Meera","Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2384","2391","10.1039/d2dt04074c","","x-ray","1.54184","CuKα","","0.0314","0.03","","","0.0765","0.0774","","","","","","1.047","","","","has coordinates,has disorder","283235","2023-05-05","01:40:44",""
"7712254","13.0823","0.0003","13.5652","0.0003","14.0438","0.0003","94.859","0.002","93.493","0.002","91.697","0.002","2477.18","0.1","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H48 As7 N3 O9 S3 Si3 -","- C33 H48 As7 N3 O9 S3 Si3 -","- C66 H96 As14 N6 O18 S6 Si6 -","2","1","","Jobbins, William D.; van IJzendoorn, Bono; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Mehta, Meera","Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2384","2391","10.1039/d2dt04074c","","x-ray","1.54184","CuKα","","0.0229","0.0216","","","0.0574","0.0581","","","","","","1.053","","","","has coordinates","283235","2023-05-05","01:40:44",""
"7712255","11.2475","0.0002","7.5644","0.0001","20.2712","0.0004","90","","101.517","0.001","90","","1689.96","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(bis(Î1/43-5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolato-N,N,S))-(5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolato-S)-aqua-lead(ii))","","","- C14 H10 N6 O3 Pb S2 -","- C14 H10 N6 O3 Pb S2 -","- C56 H40 N24 O12 Pb4 S8 -","4","1","","Tunsrichon, Sujitra; Chainok, Kittipong; Promarak, Vinich; Arunlimsawat, Suangsiri; Youngme, Sujittra; Boonmak, Jaursup","Dual stimuli-responsive phosphorescence of a Pb(II) coordination polymer to acidic vapors and thermal treatment.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2209","2213","10.1039/d2dt04087e","","","0.71073","MoKα","","0.029","0.0224","","","0.0518","0.0547","","","","","","1.089","","","","has coordinates","283236","2023-05-05","01:41:15",""
"7712256","9.7476","0.0004","9.7854","0.0003","13.1877","0.0005","90","","102.066","0.004","90","","1230.11","0.08","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 Cu2 I2 N O S -","- C7 H9 Cu2 I2 N O S -","- C28 H36 Cu8 I8 N4 O4 S4 -","4","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","x-ray","0.71073","MoKα","","0.0318","0.0253","","","0.0486","0.051","","","","","","1.043","","","","has coordinates","280774","2023-02-02","23:53:36",""
"7712257","8.4448","0.0002","10.111","0.0002","11.2974","0.0003","82.916","0.002","71.12","0.002","67.334","0.002","842.24","0.04","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H7 Cu I N S -","- C6 H7 Cu I N S -","- C24 H28 Cu4 I4 N4 S4 -","4","2","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","x-ray","0.71073","MoKα","","0.021","0.0183","","","0.0389","0.0398","","","","","","1.097","","","","has coordinates","280774","2023-02-02","23:53:36",""
"7712258","7.6287","0.0006","7.7189","0.0003","9.7933","0.0007","102.595","0.005","94.694","0.006","104.937","0.005","537.93","0.06","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H7 Cu2 I2 N S -","- C6 H7 Cu2 I2 N S -","- C12 H14 Cu4 I4 N2 S2 -","2","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","x-ray","0.71073","MoKα","","0.0259","0.0218","","","0.045","0.0464","","","","","","1.104","","","","has coordinates","280774","2023-02-02","23:53:36",""
"7712259","4.3651","0.0002","19.7496","0.0011","15.8828","0.0009","90","","95.378","0.003","90","","1363.21","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","complex of copper(I) iodide with 3-ethoxy-2-methylthiopyridine","","- C8 H11 Cu2 I2 N O S -","- C8 H11 Cu2 I2 N O S -","- C32 H44 Cu8 I8 N4 O4 S4 -","4","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0597","0.0572","","","0.1352","0.1367","","","","","","1.021","","","","has coordinates","280774","2023-02-02","23:53:36",""
"7712260","8.2845","0.0003","7.8286","0.0003","24.17","0.0008","90","","96.482","0.001","90","","1557.55","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex of copper(I) iodide with 3-phenyl-2-methylthiopyridine","","- C12 H11 Cu2 I2 N S -","- C12 H11 Cu2 I2 N S -","- C48 H44 Cu8 I8 N4 S4 -","4","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0398","0.0358","","","0.0949","0.0978","","","","","","1.07","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712261","13.2768","0.0004","7.4401","0.0002","15.2595","0.0005","90","","95.53","0.001","90","","1500.33","0.08","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","complex of copper(I) iodide with 3-butoxy-2-methylthiopyridine","","- C10 H15 Cu2 I2 N O S -","- C10 H15 Cu2 I2 N O S -","- C40 H60 Cu8 I8 N4 O4 S4 -","4","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0298","0.0268","","","0.0659","0.068","","","","","","1.073","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712262","7.3111","0.0004","8.5758","0.0005","10.1694","0.0006","77.594","0.002","79.841","0.002","89.519","0.002","612.67","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","complex of copper(I) iodide with 6-methyl-2-methylthiopyridine","","- C7 H9 Cu2 I2 N S -","- C7 H9 Cu2 I2 N S -","- C14 H18 Cu4 I4 N2 S2 -","2","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0279","0.0255","","","0.0657","0.0692","","","","","","1.091","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712263","9.6879","0.0005","10.7084","0.0006","13.946","0.0007","90","","102.975","0.002","90","","1409.85","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","complex of copper(I) iodide with 6-methyl-2-butylthiopyridine","","- C20 H30 Cu3 I3 N2 S2 -","- C20 H30 Cu3 I3 N2 S2 -","- C40 H60 Cu6 I6 N4 S4 -","2","0.5","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.027","0.0214","","","0.0515","0.0543","","","","","","1.055","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712264","10.6275","0.0003","16.1635","0.0004","8.2621","0.0002","90","","102.226","0.001","90","","1387.06","0.06","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Complex of Cu(I) iodide with 3-methoxy-6-methyl-2-(methylthio)pyridine","","- C8 H11 Cu2 I2 N O S -","- C8 H11 Cu2 I2 N O S -","- C32 H44 Cu8 I8 N4 O4 S4 -","4","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0279","0.0228","","","0.0501","0.0535","","","","","","1.016","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712265","7.2585","0.0003","8.4812","0.0004","10.1289","0.0004","78.063","0.001","79.381","0.001","88.74","0.001","599.53","0.04","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","Complex of Cu(I) iodide with 2-methyl-6-(methylthio)pyridine","","- C7 H9 Cu2 I2 N S -","- C7 H9 Cu2 I2 N S -","- C14 H18 Cu4 I4 N2 S2 -","2","1","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0288","0.0252","","","0.0618","0.0639","","","","","","1.047","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712266","10.0644","0.0007","8.5333","0.0007","14.2287","0.0012","90","","97.604","0.004","90","","1211.25","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of Cu(I) iodide with 2-propyl-6-(methylthio)pyridine","","- C18 H26 Cu2 I2 N2 S2 -","- C18 H26 Cu2 I2 N2 S2 -","- C36 H52 Cu4 I4 N4 S4 -","2","0.5","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0658","0.0435","","","0.1292","0.1487","","","","","","1.024","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712267","11.5255","0.0009","10.2674","0.0007","12.1602","0.0009","90","","97.018","0.003","90","","1428.22","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of Cu(I) iodide with 2-methyl-6-(benzylthio)pyridine","","- C26 H26 Cu2 I2 N2 S2 -","- C26 H26 Cu2 I2 N2 S2 -","- C52 H52 Cu4 I4 N4 S4 -","2","0.5","","Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing","A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation","Dalton Transactions","2023","","","","","10.1039/D3DT00035D","","","0.71073","MoKα","","0.0812","0.0548","","","0.1262","0.1459","","","","","","1.021","","","","has coordinates","280774","2023-02-02","23:53:37",""
"7712268","13.4113","0.0005","22.0711","0.0008","22.7575","0.0008","97.767","0.003","90.925","0.003","103.689","0.003","6476.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H60 Cl2 Cu2 N3 O8 P3 -","- C73.5 H60 Cl2 Cu2 N3 O8 P3 -","- C294 H240 Cl8 Cu8 N12 O32 P12 -","4","2","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","1.54178","CuKα","","0.131","0.0792","","","0.1604","0.1795","","","","","","1.069","","","","has coordinates,has disorder","280985","2023-02-20","09:51:01",""
"7712269","12.4787","0.0002","21.7573","0.0004","19.9382","0.0004","90","","90.6313","0.0008","90","","5412.95","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50.3 H45.91 Cu2 F12 N6 O2.3 P5 -","- C50.303 H45.9091 Cu2 F12 N6 O2.30303 P5 -","- C201.212 H183.636 Cu8 F48 N24 O9.21212 P20 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0388","0.0316","","","0.0776","0.081","","","","","","1.078","","","","has coordinates,has disorder","280985","2023-02-20","09:51:02",""
"7712270","12.3403","0.0004","21.718","0.0007","19.9719","0.0006","90","","91.9247","0.0012","90","","5349.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 Cu2 F12 N8 O P5 -","- C50 H45 Cu2 F12 N8 O P5 -","- C200 H180 Cu8 F48 N32 O4 P20 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0721","0.0655","","","0.1785","0.1815","","","","","","1.091","","","","has coordinates,has disorder","280985","2023-02-20","09:51:03",""
"7712271","16.2335","0.0012","15.8978","0.0011","22.7583","0.0015","90","","90.055","0.003","90","","5873.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H51 Cu2 F12 N4 P5 -","- C65 H51 Cu2 F12 N4 P5 -","- C260 H204 Cu8 F48 N16 P20 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0642","0.0437","","","0.102","0.1147","","","","","","1.038","","","","has coordinates,has disorder","280985","2023-02-20","09:51:03",""
"7712272","13.1266","0.0008","43.931","0.003","13.5378","0.0009","90","","106.065","0.002","90","","7501.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H68 Cl5 Cu2 N4 O8 P3 -","- C80 H68 Cl5 Cu2 N4 O8 P3 -","- C320 H272 Cl20 Cu8 N16 O32 P12 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0595","0.0488","","","0.0978","0.1018","","","","","","1.2","","","","has coordinates","280985","2023-02-20","09:51:03",""
"7712273","14.8421","0.0012","22.3318","0.0016","23.2202","0.0018","90","","90","","90","","7696.4","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl2 Cu N2 O10 P2 -","- C42 H32 Cl2 Cu N2 O10 P2 -","- C336 H256 Cl16 Cu8 N16 O80 P16 -","8","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.055","0.0417","","","0.0977","0.1055","","","","","","1.085","","","","has coordinates","280985","2023-02-20","09:51:06",""
"7712274","24.7829","0.0008","14.854","0.0005","19.2868","0.0006","90","","101.693","0.0019","90","","6952.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H71 Cu2 F12 N4 O2 P5 -","- C73 H71 Cu2 F12 N4 O2 P5 -","- C292 H284 Cu8 F48 N16 O8 P20 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","1.54178","CuKα","","0.0852","0.0807","","","0.2156","0.2186","","","","","","1.112","","","","has coordinates,has disorder","280985","2023-02-20","09:51:06",""
"7712275","16.304","0.002","15.872","0.002","22.919","0.003","90","","90.583","0.005","90","","5930.6","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H51.63 Cu2 F12 N4.21 O0.21 P5 -","- C65 H51.63 Cu2 F12 N4.21 O0.21 P5 -","- C260 H206.52 Cu8 F48 N16.84 O0.84 P20 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0491","0.0378","","","0.0903","0.0972","","","","","","1.043","","","","has coordinates,has disorder","280985","2023-02-20","09:51:06",""
"7712276","10.9585","0.0005","14.9847","0.0007","19.6805","0.001","83.8641","0.0014","78.2297","0.0014","88.8782","0.0014","3145.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl2 Cu N2 O10 P2 -","- C42 H32 Cl2 Cu N2 O10 P2 -","- C126 H96 Cl6 Cu3 N6 O30 P6 -","3","1.5","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0661","0.0427","","","0.1013","0.1128","","","","","","1.018","","","","has coordinates,has disorder","280985","2023-02-20","09:51:06",""
"7712277","12.4808","0.001","23.632","0.002","23.161","0.002","90","","97.416","0.003","90","","6774.1","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H53 Cl6 Cu2 F12 N4 P5 -","- C67 H53 Cl6 Cu2 F12 N4 P5 -","- C268 H212 Cl24 Cu8 F48 N16 P20 -","4","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.0541","0.0414","","","0.1053","0.1145","","","","","","1.039","","","","has coordinates,has disorder","280985","2023-02-20","09:51:06",""
"7712278","4.8913","0.0001","9.7299","0.0002","17.6911","0.0004","90","","95.712","0.002","90","","837.77","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N4 O2 -","- C9 H6 N4 O2 -","- C36 H24 N16 O8 -","4","1","","Choudhary, Savita; Nandikolla, Adinarayana; Shukla, Adarash Kumar; Chandrasekhar, K. V. G.; Bhattacharya, Anupam","Visible light sensing of ions by a cynoquinoxaline 1,4-dioxide-based probe and its applications","Dalton Transactions","2023","","","","","10.1039/D2DT04143J","","x-ray","1.54184","CuKα","","0.0445","0.0416","","","0.1115","0.1148","","","","","","1.1","","","","has coordinates","280986","2023-02-20","09:52:37",""
"7712279","21.5095","0.0005","39.1997","0.0008","26.0609","0.0004","90","","96.367","0.0016","90","","21838.1","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H108 Cl4 Cu6 Gd3 N6 O34 -","- C72 H100 Cl4 Cu6 Gd3 N6 O30 -","- C576 H800 Cl32 Cu48 Gd24 N48 O240 -","8","2","","Bhanja, Avik; Roy Chaudhuri, Sangeeta; Tsanai, Angelos B.; Vyas, Shachi Pranjal; Ortu, Fabrizio; Smythe, Lucy; Murrie, Mark; Goswami, Ritobrata; Ray, Debashis","Synthesis and characterization of two self-assembled [Cu6Gd3] and [Cu5Dy2] complexes exhibiting magnetocaloric effect, slow relaxation of magnetization and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D2DT03932J","","x-ray","0.71073","MoKα","","0.1306","0.0793","","","0.19","0.2254","","","","","","1.052","","","","has coordinates","280987","2023-02-20","09:53:41",""
"7712280","14.468","0.015","15.061","0.013","15.723","0.014","87.63","0.09","68.21","0.07","69.24","0.07","2959","5","299.24","","299.24","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H152 Cl8 Cu5 Dy2 N6 O59 -","- C60 H112 Cl8 Cu5 Dy2 N6 O39 -","- C60 H112 Cl8 Cu5 Dy2 N6 O39 -","1","0.5","","Bhanja, Avik; Roy Chaudhuri, Sangeeta; Tsanai, Angelos B.; Vyas, Shachi Pranjal; Ortu, Fabrizio; Smythe, Lucy; Murrie, Mark; Goswami, Ritobrata; Ray, Debashis","Synthesis and characterization of two self-assembled [Cu6Gd3] and [Cu5Dy2] complexes exhibiting magnetocaloric effect, slow relaxation of magnetization and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D2DT03932J","","","0.71073","MoKα","","0.0803","0.0467","","","0.1059","0.1178","","","","","","1.086","","","","has coordinates,has disorder","280987","2023-02-20","09:53:44",""
"7712281","9.5648","0.0005","11.8739","0.0007","11.8921","0.0008","74.065","0.005","70.863","0.005","78.505","0.005","1218.03","0.13","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Cl2 F8 O2 P2 Pd -","- C48 H56 Cl2 F8 O2 P2 Pd -","- C48 H56 Cl2 F8 O2 P2 Pd -","1","0.5","","Ponce-de-León, Jaime; Peñas-Defrutos, Marconi N.; Vélez Blasco, Andrea; Aullon, Gabriel; Espinet, Pablo","Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated Chalcone Skeletons and their PdX2 complexes. Metal-promoted Phosphorescence Enhancement","Dalton Transactions","2023","","","","","10.1039/D3DT00408B","","x-ray","0.71073","MoKα","","0.0705","0.0471","","","0.0899","0.1087","","","","","","1.082","","","","has coordinates","280988","2023-02-20","09:55:59",""
"7712282","9.9875","0.0004","10.2176","0.0003","15.224","0.0008","74.659","0.004","89.73","0.004","88.099","0.003","1497.39","0.11","209.9","0.6","209.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Cl2 F8 O4 P2 Pd -","- C60 H70 Cl2 F8 O4 P2 Pd -","- C60 H70 Cl2 F8 O4 P2 Pd -","1","0.5","","Ponce-de-León, Jaime; Peñas-Defrutos, Marconi N.; Vélez Blasco, Andrea; Aullon, Gabriel; Espinet, Pablo","Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated Chalcone Skeletons and their PdX2 complexes. Metal-promoted Phosphorescence Enhancement","Dalton Transactions","2023","","","","","10.1039/D3DT00408B","","x-ray","0.71073","MoKα","","0.0744","0.0491","","","0.0923","0.106","","","","","","1.034","","","","has coordinates","280988","2023-02-20","09:56:02",""
"7712283","12.2385","0.0006","5.6909","0.0004","32.14","0.0016","90","","97.755","0.005","90","","2218","0.2","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F4 O P -","- C27 H17 F4 O P -","- C108 H68 F16 O4 P4 -","4","1","","Ponce-de-León, Jaime; Peñas-Defrutos, Marconi N.; Vélez Blasco, Andrea; Aullon, Gabriel; Espinet, Pablo","Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated Chalcone Skeletons and their PdX2 complexes. Metal-promoted Phosphorescence Enhancement","Dalton Transactions","2023","","","","","10.1039/D3DT00408B","","x-ray","0.71073","MoKα","","0.0843","0.0529","","","0.1042","0.121","","","","","","1.023","","","","has coordinates","280988","2023-02-20","09:56:12",""
"7712284","14.2828","0.001","10.9456","0.0009","16.2908","0.0009","90","","109.972","0.007","90","","2393.6","0.3","294","","294","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H34 F8 N2 O2 P2 Pd -","- C56 H34 F8 N2 O2 P2 Pd -","- C112 H68 F16 N4 O4 P4 Pd2 -","2","0.5","","Ponce-de-León, Jaime; Peñas-Defrutos, Marconi N.; Vélez Blasco, Andrea; Aullon, Gabriel; Espinet, Pablo","Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated Chalcone Skeletons and their PdX2 complexes. Metal-promoted Phosphorescence Enhancement","Dalton Transactions","2023","","","","","10.1039/D3DT00408B","","","0.71073","MoKα","","0.1034","0.0517","","","0.1034","0.1321","","","","","","1.036","","","","has coordinates","280988","2023-02-20","09:56:15",""
"7712285","13.9677","0.0008","10.958","0.0005","16.318","0.0007","90","","109.719","0.005","90","","2351.1","0.2","294","","294","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H34 Cl2 F8 O2 P2 Pt -","- C54 H34 Cl2 F8 O2 P2 Pt -","- C108 H68 Cl4 F16 O4 P4 Pt2 -","2","0.5","","Ponce-de-León, Jaime; Peñas-Defrutos, Marconi N.; Vélez Blasco, Andrea; Aullon, Gabriel; Espinet, Pablo","Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated Chalcone Skeletons and their PdX2 complexes. Metal-promoted Phosphorescence Enhancement","Dalton Transactions","2023","","","","","10.1039/D3DT00408B","","","0.71073","MoKα","","0.0751","0.039","","","0.0645","0.0789","","","","","","1.071","","","","has coordinates","280988","2023-02-20","09:56:15",""
"7712286","22.641","0.005","22.52","0.005","27.283","0.006","90","","96.98","0.03","90","","13808","5","113","","113","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C129 H120 Cl6 F24 Fe2 N2 Ni2 O4 P12 S4 -","- C129 H120 Cl6 F24 Fe2 N2 Ni2 O4 P12 S4 -","- C516 H480 Cl24 F96 Fe8 N8 Ni8 O16 P48 S16 -","4","1","","Song, Li-Cheng; Wang, Yin-Peng; Dong, Yi-Xiong; Yang, Xi-Yue","Functionalized nickel(II)-iron(II) dithiolates as biomimetic models of [NiFe]-H2ases","Dalton Transactions","2023","","","","","10.1039/D3DT00039G","","","0.71073","MoKα","","0.0933","0.072","","","0.1802","0.1969","","","","","","1.084","","","","has coordinates,has disorder","280989","2023-02-20","09:58:03",""
"7712287","14.269","0.003","19.249","0.004","23.961","0.005","90","","93.76","0.03","90","","6567","2","113","2","113","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C65 H62 Cl4 F6 Fe N Ni O3 P5 S2 -","- C65 H62 Cl4 F6 Fe N Ni O3 P5 S2 -","- C260 H248 Cl16 F24 Fe4 N4 Ni4 O12 P20 S8 -","4","1","","Song, Li-Cheng; Wang, Yin-Peng; Dong, Yi-Xiong; Yang, Xi-Yue","Functionalized nickel(II)-iron(II) dithiolates as biomimetic models of [NiFe]-H2ases","Dalton Transactions","2023","","","","","10.1039/D3DT00039G","","","0.71073","MoKα","","0.1343","0.0805","","","0.1453","0.1628","","","","","","1.022","","","","has coordinates","280989","2023-02-20","09:58:05",""
"7712288","13.3008","0.0002","18.4257","0.0003","22.9287","0.0003","90","","94.6406","0.0014","90","","5600.87","0.14","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C57 H53 B Cl2 F4 Fe Ni O P4 S2 -","- C57 H53 B Cl2 F4 Fe Ni O P4 S2 -","- C228 H212 B4 Cl8 F16 Fe4 Ni4 O4 P16 S8 -","4","1","","Song, Li-Cheng; Wang, Yin-Peng; Dong, Yi-Xiong; Yang, Xi-Yue","Functionalized nickel(II)-iron(II) dithiolates as biomimetic models of [NiFe]-H2ases","Dalton Transactions","2023","","","","","10.1039/D3DT00039G","","","1.54184","CuKα","","0.0753","0.0673","","","0.1804","0.1916","","","","","","1.027","","","","has coordinates,has disorder","280989","2023-02-20","09:58:09",""
"7712289","17.668","0.002","14.6379","0.0014","24.622","0.003","90","","108.085","0.003","90","","6053.2","1.2","113","","113","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C64 H62 B2 F8 Fe N2 Ni O2 P4 S2 -","- C64 H62 B2 F8 Fe N2 Ni O2 P4 S2 -","- C256 H248 B8 F32 Fe4 N8 Ni4 O8 P16 S8 -","4","1","","Song, Li-Cheng; Wang, Yin-Peng; Dong, Yi-Xiong; Yang, Xi-Yue","Functionalized nickel(II)-iron(II) dithiolates as biomimetic models of [NiFe]-H2ases","Dalton Transactions","2023","","","","","10.1039/D3DT00039G","","","0.71073","MoKα","","0.0391","0.0327","","","0.0819","0.0854","","","","","","1.034","","","","has coordinates","280989","2023-02-20","09:58:19",""
"7712290","12.4","0.003","14.478","0.003","19.954","0.004","90","","103.31","0.03","90","","3486.1","1.4","100","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Eu N8 -","- C84 H76 B2 Eu N8 -","- C168 H152 B4 Eu2 N16 -","2","0.5","","Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Modulating the electronic properties of divalent lanthanoid complexes with subtle ligand tuning","Dalton Transactions","2023","","","","","10.1039/D2DT03782C","","","0.71073","MoKα","","0.0411","0.0385","","","0.1118","0.1158","","","","","","1.083","","","","has coordinates","280990","2023-02-20","09:59:57",""
"7712291","12.31789","0.00011","14.28779","0.00011","19.67463","0.00015","90","","103.204","0.0008","90","","3371.1","0.05","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 N8 Yb -","- C84 H76 B2 N8 Yb -","- C168 H152 B4 N16 Yb2 -","2","0.5","","Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Modulating the electronic properties of divalent lanthanoid complexes with subtle ligand tuning","Dalton Transactions","2023","","","","","10.1039/D2DT03782C","","","1.54184","CuKα","","0.0327","0.0271","","","0.0707","0.0733","","","","","","1.121","","","","has coordinates","280990","2023-02-20","09:59:57",""
"7712292","11.0546","0.0002","13.439","0.0002","14.6816","0.0002","102.967","0.001","111.402","0.001","108.571","0.001","1775.86","0.06","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H82 B2 Eu N8 -","- C87.996 H81.988 B2 Eu N8 -","- C87.996 H81.988 B2 Eu N8 -","1","0.5","","Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Modulating the electronic properties of divalent lanthanoid complexes with subtle ligand tuning","Dalton Transactions","2023","","","","","10.1039/D2DT03782C","","","1.54184","CuKα","","0.0435","0.0429","","","0.1069","0.1077","","","","","","1.06","","","","has coordinates,has disorder","280990","2023-02-20","09:59:57",""
"7712293","10.94","0.003","13.65","0.003","14.736","0.004","104.24","0.03","110.37","0.03","108.29","0.03","1796","1.2","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 B2 Eu N8 -","- C90 H88 B2 Eu N8 -","- C90 H88 B2 Eu N8 -","1","0.5","","Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Modulating the electronic properties of divalent lanthanoid complexes with subtle ligand tuning","Dalton Transactions","2023","","","","","10.1039/D2DT03782C","","","0.71073","Synchrotron","","0.0358","0.0355","","","0.0927","0.093","","","","","","1.064","","","","has coordinates,has disorder","280990","2023-02-20","09:59:57",""
"7712294","11.04793","0.00017","13.51325","0.00019","14.7018","0.0002","103.408","0.0014","111.519","0.0013","109.137","0.0013","1767.44","0.06","100","0.3","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H82 B2 N8 Yb -","- C88.002 H82.006 B2 N8 Yb -","- C88.002 H82.006 B2 N8 Yb -","1","0.5","","Hay, Moya A.; Gable, Robert W.; Boskovic, Colette","Modulating the electronic properties of divalent lanthanoid complexes with subtle ligand tuning","Dalton Transactions","2023","","","","","10.1039/D2DT03782C","","","1.54184","CuKα","","0.0601","0.049","","","0.123","0.1366","","","","","","1.058","","","","has coordinates,has disorder","280990","2023-02-20","09:59:57",""
"7712295","8.9376","0.0008","27.147","0.002","17.9174","0.0016","90","","103.291","0.001","90","","4230.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Cu3 Gd N3 O26 -","- C29 H44 Cu3 Gd N3 O26 -","- C116 H176 Cu12 Gd4 N12 O104 -","4","1","","Shiga, Takuya; Miyamoto, Haruka; Okamoto, Yukiko; Oshio, Hiroki; Mihara, Nozomi; Nihei, Masayuki","Tetranuclear [Cu<sub>3</sub>Ln] complexes derived from a tetraketone-type ligand.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03892g","","","0.71073","MoKα","","0.058","0.0558","","","0.1223","0.1232","","","","","","1.274","","","","has coordinates,has disorder","280991","2023-02-20","10:01:21",""
"7712296","8.9281","0.0008","27.15","0.002","17.918","0.0017","90","","103.52","0.001","90","","4222.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Cu3 N3 O26 Tb -","- C29 H44 Cu3 N3 O26 Tb -","- C116 H176 Cu12 N12 O104 Tb4 -","4","1","","Shiga, Takuya; Miyamoto, Haruka; Okamoto, Yukiko; Oshio, Hiroki; Mihara, Nozomi; Nihei, Masayuki","Tetranuclear [Cu<sub>3</sub>Ln] complexes derived from a tetraketone-type ligand.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03892g","","","0.71073","MoKα","","0.089","0.0848","","","0.1955","0.1971","","","","","","1.267","","","","has coordinates","280991","2023-02-20","10:01:33",""
"7712297","7.9231","0.0006","11.575","0.001","22.3077","0.0018","93.039","0.001","91.773","0.001","105.884","0.001","1962.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Cu3 Dy N3 O24 -","- C27 H36 Cu3 Dy N3 O24 -","- C54 H72 Cu6 Dy2 N6 O48 -","2","1","","Shiga, Takuya; Miyamoto, Haruka; Okamoto, Yukiko; Oshio, Hiroki; Mihara, Nozomi; Nihei, Masayuki","Tetranuclear [Cu<sub>3</sub>Ln] complexes derived from a tetraketone-type ligand.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03892g","","","0.71073","MoKα","","0.0639","0.0629","","","0.1716","0.1729","","","","","","1.032","","","","has coordinates","280991","2023-02-20","10:01:37",""
"7712298","18.2031","0.001","24.9358","0.0016","26.8374","0.0017","90","","90","","90","","12181.7","1.3","193","2","193","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65 H47 B Cl3 F20 N O S Si -","- C65 H47 B Cl3 F20 N O S Si -","- C520 H376 B8 Cl24 F160 N8 O8 S8 Si8 -","8","1","","Dajnak, Aymeric; Shi, Limiao; Altınbaş Özpınar, Gül; Lenk, Romaric; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Kato, Tsuyoshi; Müller, Thomas; Maerten, Eddy","Imine-stabilized silylium ions: synthesis, structure and application in catalysis","Dalton Transactions","2023","52","10","3052","3058","10.1039/D3DT00168G","","","0.71073","MoKα","","0.0944","0.0661","","","0.1569","0.1764","","","","","","1.057","","","","has coordinates,has disorder","282621","2023-04-13","12:20:54",""
"7712299","10.132","0.0015","19.209","0.002","10.8529","0.0015","90","","105.233","0.005","90","","2038","0.5","132","2","132.19","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25.56 N2 O6.78 V -","- C20 H25.56 N2 O6.78 V -","- C80 H102.24 N8 O27.12 V4 -","4","1","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00024a","","","0.71073","MoKα","","0.0653","0.0539","","","0.1359","0.1473","","","","","","1.02","","","","has coordinates","280994","2023-02-20","10:03:15",""
"7712300","24.8898","0.0012","8.4307","0.0004","25.4214","0.001","90","","100.29","0.004","90","","5248.6","0.4","100","2","100.15","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C40 H44 F12 K2 N4 O10 P2 V2 -","- C40 H44 F12 K2 N4 O10 P2 V2 -","- C160 H176 F48 K8 N16 O40 P8 V8 -","4","0.5","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00024a","","","0.71073","MoKα","","0.0556","0.0485","","","0.1385","0.146","","","","","","1.062","","","","has coordinates,has disorder","280994","2023-02-20","10:03:16",""
"7712301","11.5816","0.0004","12.2757","0.0004","12.4432","0.0004","61.585","0.001","62.339","0.001","71.137","0.001","1366.16","0.08","100","2","100.39","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Ba Cl2 N2 O14 V -","- C20 H22 Ba Cl2 N2 O14 V -","- C40 H44 Ba2 Cl4 N4 O28 V2 -","2","1","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00024a","","","0.71073","MoKα","","0.0512","0.0473","","","0.1104","0.1139","","","","","","1.09","","","","has coordinates,has disorder","280994","2023-02-20","10:03:16",""
"7712302","9.5373","0.0005","12.3311","0.0007","16.2241","0.0009","93.233","0.002","92.079","0.002","110.721","0.002","1778.55","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Br2 N4 O2 Pd -","- C36 H44 Br2 N4 O2 Pd -","- C72 H88 Br4 N8 O4 Pd2 -","2","1","","Teng, Qiaoqiao; Liu, Ziwei; Song, Haobin; Liu, Jiayu; Zhao, Yaru; Jiang, Weihua; Huynh, Han Vinh; Meng, Qi","Versatile halogenation <i>via</i> a C<sub>NHC</sub>^C<sub>sp3</sub> palladacycle intermediate.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2223","2226","10.1039/d3dt00113j","","","0.71073","MoKα","","0.0614","0.0414","","","0.0855","0.0958","","","","","","0.99","","","","has coordinates,has disorder","283242","2023-05-05","01:44:01",""
"7712303","10.6138","0.0006","13.7132","0.0009","17.3306","0.0011","90","","97.572","0.002","90","","2500.5","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Br3 N4 Pd -","- C23 H27 Br3 N4 Pd -","- C92 H108 Br12 N16 Pd4 -","4","1","","Teng, Qiaoqiao; Liu, Ziwei; Song, Haobin; Liu, Jiayu; Zhao, Yaru; Jiang, Weihua; Huynh, Han Vinh; Meng, Qi","Versatile halogenation <i>via</i> a C<sub>NHC</sub>^C<sub>sp3</sub> palladacycle intermediate.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2223","2226","10.1039/d3dt00113j","","","0.71073","MoKα","","0.1408","0.0821","","","0.1548","0.1747","","","","","","1.066","","","","has coordinates","283242","2023-05-05","01:44:04",""
"7712304","16.1679","0.0006","9.3786","0.0003","35.7626","0.0015","90","","96.107","0.001","90","","5392","0.3","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Br N4 O2 Pd -","- C27 H33 Br N4 O2 Pd -","- C216 H264 Br8 N32 O16 Pd8 -","8","2","","Teng, Qiaoqiao; Liu, Ziwei; Song, Haobin; Liu, Jiayu; Zhao, Yaru; Jiang, Weihua; Huynh, Han Vinh; Meng, Qi","Versatile halogenation <i>via</i> a C<sub>NHC</sub>^C<sub>sp3</sub> palladacycle intermediate.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2223","2226","10.1039/d3dt00113j","","","0.71073","MoKα","","0.0886","0.0489","","","0.0978","0.1157","","","","","","1.028","","","","has coordinates","283242","2023-05-05","01:44:14",""
"7712305","7.8313","0.0002","21.0697","0.0007","22.2923","0.0007","90","","96.726","0.002","90","","3652.98","0.19","213.15","","213.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 B11 N3 O Pt -","- C30 H42 B11 N3 Pt -","- C120 H168 B44 N12 Pt4 -","4","1","","Kong, Xiangjun; Shen, Yunjun; Bian, He-Dong; Zhang, Yuzhen","Platinum(II) Diimine Complexes Containing Phenylpyridine Ligands Decorated with Anionic closo-Monocarborane Clusters [CB11H12]-","Dalton Transactions","2023","","","","","10.1039/D3DT00136A","","","1.34139","GaKα","","0.0913","0.078","","","0.2313","0.2516","","","","","","1.138","","","","has coordinates","280996","2023-02-20","10:05:31",""
"7712306","7.422","0.0001","16.9072","0.0001","31.1951","0.0002","90","","92.689","0.001","90","","3910.21","0.06","295.58","0.1","295.58","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H51 B11 N3 O1.5 Pt -","- C30 H42 B11 N3 Pt -","- C120 H168 B44 N12 Pt4 -","4","1","","Kong, Xiangjun; Shen, Yunjun; Bian, He-Dong; Zhang, Yuzhen","Platinum(II) Diimine Complexes Containing Phenylpyridine Ligands Decorated with Anionic closo-Monocarborane Clusters [CB11H12]-","Dalton Transactions","2023","","","","","10.1039/D3DT00136A","","x-ray","1.54184","CuKα","","0.0283","0.0276","","","0.0733","0.0737","","","","","","1.106","","","","has coordinates","280996","2023-02-20","10:05:34",""
"7712307","14.7529","0.0007","34.2378","0.0015","40.5905","0.0019","90","","100.113","0.003","90","","20184","1.6","213","","213","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H112 B22 N6 O2 Pt2 -","- C87 H106 B22 N6 O Pt2 -","- C696 H848 B176 N48 O8 Pt16 -","8","1","","Kong, Xiangjun; Shen, Yunjun; Bian, He-Dong; Zhang, Yuzhen","Platinum(II) Diimine Complexes Containing Phenylpyridine Ligands Decorated with Anionic closo-Monocarborane Clusters [CB11H12]-","Dalton Transactions","2023","","","","","10.1039/D3DT00136A","","","1.34139","GaKα","","0.2179","0.116","","","0.2835","0.3436","","","","","","1.037","","","","has coordinates","280996","2023-02-20","10:05:34",""
"7712308","10.7356","0.0016","10.1583","0.0016","15.31","0.002","90","","90","","90","","1669.6","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H4 N16 O8 -","- C10 H4 N16 O8 -","- C40 H16 N64 O32 -","4","0.5","","Tang, Jie; Xiong, Hualin; Tang, Yongxing; Yang, Hongwei; Cheng, Guangbin","The design and synthesis of new advanced energetic materials based on pyrazole-triazole backbones.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00001j","","","0.71073","MoKα","","0.0684","0.0488","","","0.1209","0.1331","","","","","","1.031","","","","has coordinates,has disorder","280997","2023-02-20","10:08:32",""
"7712309","8.7665","0.0019","10.158","0.002","10.814","0.002","114.184","0.003","98.141","0.003","99.022","0.003","844.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N9 O9 -","- C11 H15 N9 O9 -","- C22 H30 N18 O18 -","2","1","","Tang, Jie; Xiong, Hualin; Tang, Yongxing; Yang, Hongwei; Cheng, Guangbin","The design and synthesis of new advanced energetic materials based on pyrazole-triazole backbones.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00001j","","","0.71073","MoKα","","0.0741","0.044","","","0.0809","0.0916","","","","","","1.051","","","","has coordinates","280997","2023-02-20","10:08:32",""
"7712310","7.7431","0.0001","13.8979","0.0002","18.5548","0.0002","105.082","0.001","101.879","0.001","91.598","0.001","1879.65","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 Dy N5 O8 S2 -","- C42 H28 Dy N5 O8 S2 -","- C84 H56 Dy2 N10 O16 S4 -","2","1","","Zhu, Jing; Hua, Lin; Zhang, Yumeng; Wu, Hongying; Zheng, Fuwei; Shen, Hongyan; Gong, Haiyan; Yang, Liu; Jiang, Aiyun","A 2D Dy-based metal-organic framework derived from benzothiadiazole: structure and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","13","4058","4062","10.1039/d2dt03606a","","x-ray","1.3405","GaKα","","0.0384","0.0368","","","0.0991","0.0998","","","","","","1.026","","","","has coordinates","283313","2023-05-05","02:22:01",""
"7712311","9.5074","0.0002","10.9513","0.0002","21.0209","0.0005","89.4832","0.0017","79.552","0.002","74.1193","0.0019","2068.32","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","VL143","","- C39 H55 Cl5 N P Pd -","- C39 H55 Cl5 N P Pd -","- C78 H110 Cl10 N2 P2 Pd2 -","2","1","","Nolan, Steven P.; Voloshkin, Vladislav; Belis, Marek; Cazin, Catherine; Peng, Min; Liu, Yaxu; Van Hecke, Kristof","Synthesis, characterization, and reactivity of [Pd(phosphine)(py)Cl2] (PEPPSI) and [Pd(phosphine)Cl2]2 com-plexes","Dalton Transactions","2023","","","","","10.1039/D3DT00293D","","x-ray","1.54184","CuKα","","0.052","0.0459","","","0.1186","0.1241","","","","","","1.028","","","","has coordinates,has disorder","280999","2023-02-20","10:09:56",""
"7712312","9.8194","0.0003","16.4376","0.0004","18.6502","0.0005","90","","95.314","0.002","90","","2997.34","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H86 Cl4 O4 P2 Pd2 -","- C60 H86 Cl4 O4 P2 Pd2 -","- C120 H172 Cl8 O8 P4 Pd4 -","2","0.5","","Nolan, Steven P.; Voloshkin, Vladislav; Belis, Marek; Cazin, Catherine; Peng, Min; Liu, Yaxu; Van Hecke, Kristof","Synthesis, characterization, and reactivity of [Pd(phosphine)(py)Cl2] (PEPPSI) and [Pd(phosphine)Cl2]2 com-plexes","Dalton Transactions","2023","","","","","10.1039/D3DT00293D","","x-ray","1.54184","CuKα","","0.0649","0.0419","","","0.0957","0.1086","","","","","","1.005","","","","has coordinates,has disorder","280999","2023-02-20","10:10:06",""
"7712313","8.7409","0.0001","16.5403","0.0002","21.5878","0.0003","90","","90","","90","","3121.1","0.07","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","VL203","","- C31 H39 Cl3 N O2 P Pd -","- C31 H39 Cl3 N O2 P Pd -","- C124 H156 Cl12 N4 O8 P4 Pd4 -","4","1","","Nolan, Steven P.; Voloshkin, Vladislav; Belis, Marek; Cazin, Catherine; Peng, Min; Liu, Yaxu; Van Hecke, Kristof","Synthesis, characterization, and reactivity of [Pd(phosphine)(py)Cl2] (PEPPSI) and [Pd(phosphine)Cl2]2 com-plexes","Dalton Transactions","2023","","","","","10.1039/D3DT00293D","","x-ray","1.54184","CuKα","","0.026","0.023","","","0.0526","0.054","","","","","","1.036","","","","has coordinates","280999","2023-02-20","10:10:06",""
"7712314","9.0649","0.0004","9.0718","0.0004","12.9046","0.0006","72.8","0.001","75.386","0.001","73.838","0.002","956.83","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N6 Ni O2 -","- C42 H56 N6 Ni O2 -","- C42 H56 N6 Ni O2 -","1","0.5","","Singh, Vaishali; Kala, Shubhra; Rom, Tanmay; Paul, Avijit; Pandey, Rampal","A Multi-cation Responsive Ni(II)-Supramolecular Metallogel Mimics as Molecular Keypad Lock via Reversible Fluorescence Switching","Dalton Transactions","2023","","","","","10.1039/D2DT03714A","","","0.71073","MoKα","","0.0372","0.0306","","","0.0801","0.0909","","","","","","1.126","","","","has coordinates","281000","2023-02-20","10:10:34",""
"7712315","14.0828","0.0016","10.9927","0.0012","23.566","0.003","90","","98.544","0.005","90","","3607.7","0.7","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cd2 N O12 -","- C33 H29 Cd2 N O12 -","- C132 H116 Cd8 N4 O48 -","4","1","","Li, Huijun; Wang, Yanan; Jiang, Fengjiao; Li, Manman; Xu, Zhouqing","A dual-function [Ru(bpy)<sub>3</sub>]<sup>2+</sup> encapsulated metal organic framework for ratiometric Al<sup>3+</sup> detection and anticounterfeiting application.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3846","3854","10.1039/d2dt03388g","","","1.34139","GaKα","","0.0841","0.0708","","","0.1688","0.1762","","","","","","1.067","","","","has coordinates","283332","2023-05-05","02:36:12",""
"7712316","11.233","0.0006","7.7115","0.0004","16.5205","0.0006","90","","91.788","0.001","90","","1430.36","0.12","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F6 N O3 P W -","- C10 H8 F6 N O3 P W -","- C40 H32 F24 N4 O12 P4 W4 -","4","1","","Isaacs, Diane P.; Gruninger, Cole T.; Huang, Tao; Jordan, Aldo M.; Nicholas, Genique; Chen, Chun-Hsing; Ter Horst, Marc A.; Dempsey, Jillian L.","Visible light induced formation of a tungsten hydride complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03675d","","","0.71073","MoKα","","0.0454","0.0416","","0.1021","0.1","0.1021","","","","","","1.0106","","","","has coordinates,has disorder","281002","2023-02-20","10:11:40",""
"7712317","35.543","0.008","9.543","0.002","16.994","0.004","90","","114.027","0.003","90","","5265","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 Cl Ir N3 S2 -","- C31 H21 Cl Ir N3 S2 -","- C248 H168 Cl8 Ir8 N24 S16 -","8","1","","Sutton, Gregory D.; Jiang, Chenggang; Liu, Gardenia; Teets, Thomas S.","Ratiometric oxygen sensors of cyclometalated iridium(III) with enhanced quantum yields and variable dynamic ranges.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00350g","","","0.71073","MoKα","","0.0576","0.0503","","","0.1311","0.1366","","","","","","1.024","","","","has coordinates","281003","2023-02-20","10:12:33",""
"7712318","10.1377","0.0011","15.1859","0.0017","18.717","0.002","98.632","0.001","103.297","0.001","100.196","0.001","2704.6","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H46 B Cl F2 Ir N5 S2 -","- C56 H46 B Cl F2 Ir N5 S2 -","- C112 H92 B2 Cl2 F4 Ir2 N10 S4 -","2","1","","Sutton, Gregory D.; Jiang, Chenggang; Liu, Gardenia; Teets, Thomas S.","Ratiometric oxygen sensors of cyclometalated iridium(III) with enhanced quantum yields and variable dynamic ranges.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00350g","","","0.71073","MoKα","","0.0364","0.03","","","0.0784","0.0842","","","","","","1.083","","","","has coordinates","281003","2023-02-20","10:12:33",""
"7712319","32.405","0.002","11.045","0.0006","25.0948","0.0017","90","","125.61","0.003","90","","7302.2","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H120 Cl3 Cu4 Gd N8 O34 -","- C50 H116 Cl3 Cu4 Gd N8 O34 -","- C200 H464 Cl12 Cu16 Gd4 N32 O136 -","4","0.5","","Heras Ojea, María José; Wilson, Claire; Cirera, Jordi; Oshio, Hiroki; Ruiz, Eliseo; Murrie, Mark","Elucidating the exchange interactions in a {GdIIICuII4} propellor","Dalton Transactions","2023","52","10","3203","3209","10.1039/D2DT03901J","","","0.71073","MoKα","","0.0871","0.0492","","","0.1003","0.1149","","","","","","1.083","","","","has coordinates,has disorder","282621","2023-04-13","12:20:54",""
"7712320","32.405","0.0007","11.0378","0.0002","25.0517","0.0005","90","","125.632","0.001","90","","7282.9","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H120 Cl3 Cu4 N8 O34 Tb -","- C50 H116 Cl3 Cu4 N8 O34 Tb -","- C200 H464 Cl12 Cu16 N32 O136 Tb4 -","4","0.5","","Heras Ojea, María José; Wilson, Claire; Cirera, Jordi; Oshio, Hiroki; Ruiz, Eliseo; Murrie, Mark","Elucidating the exchange interactions in a {GdIIICuII4} propellor","Dalton Transactions","2023","52","10","3203","3209","10.1039/D2DT03901J","","","0.71073","MoKα","","0.0439","0.0303","","","0.0712","0.0755","","","","","","1.059","","","","has coordinates,has disorder","282621","2023-04-13","12:20:54",""
"7712321","32.5448","0.0019","11.0401","0.0003","25.2051","0.0015","90","","125.674","0.009","90","","7356.7","1.1","100","3","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H120 Cl3 Cu4 La N8 O34 -","- C50 H104 Cl3 Cu4 La N8 O34 -","- C200 H416 Cl12 Cu16 La4 N32 O136 -","4","0.5","","Heras Ojea, María José; Wilson, Claire; Cirera, Jordi; Oshio, Hiroki; Ruiz, Eliseo; Murrie, Mark","Elucidating the exchange interactions in a {GdIIICuII4} propellor","Dalton Transactions","2023","52","10","3203","3209","10.1039/D2DT03901J","","","1.54184","CuKα","","0.041","0.0393","","","0.1055","0.1073","","","","","","1.055","","","","has coordinates,has disorder","282621","2023-04-13","12:20:55",""
"7712322","32.254","0.004","11.0373","0.0012","25.039","0.003","90","","125.646","0.004","90","","7243.7","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H120 Cl3 Cu4 Dy N8 O34 -","- C50 H104 Cl3 Cu4 Dy N8 O34 -","- C200 H416 Cl12 Cu16 Dy4 N32 O136 -","4","0.5","","Heras Ojea, María José; Wilson, Claire; Cirera, Jordi; Oshio, Hiroki; Ruiz, Eliseo; Murrie, Mark","Elucidating the exchange interactions in a {GdIIICuII4} propellor","Dalton Transactions","2023","52","10","3203","3209","10.1039/D2DT03901J","","","0.71","MoKα","","0.0481","0.0415","","","0.1032","0.1074","","","","","","1.102","","","","has coordinates,has disorder","282621","2023-04-13","12:20:55",""
"7712323","9.757","0.002","10.204","0.002","16.04","0.003","78.968","0.004","77.178","0.004","73.981","0.005","1482.2","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H33 B Cl2 Fe N6 O8 -","- C25 H31 B Fe N6 O8 -","- C50 H62 B2 Fe2 N12 O16 -","2","1","","Chuprin, Alexander S.; Pavlov, Alexander A.; Vologzhanina, Anna V. V.; Dorovatovskii, Pavel; Makarenkov, Anton V.; Ol'shevskaya, Valentina Antonovna; Dudkin, Semyon V.; Voloshin, Yan Z.","Multistep synthesis and X-ray structure of the carboxyl-terminated hybrid iron(II) phthalocyaninatoclathrochelates and their postsynthetic transformation into polytopic carboranyl-containing derivatives","Dalton Transactions","2023","","","","","10.1039/D3DT00076A","","","0.71073","MoKα","","0.1677","0.0816","","","0.1522","0.1776","","","","","","0.999","","","","has coordinates,has disorder","281005","2023-02-20","10:16:23",""
"7712324","12.236","0.003","12.862","0.003","23.178","0.005","90.7","0.03","93.99","0.03","106.72","0.03","3483.1","1.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 B Fe N14 O8 Zr -","- C72 H60 B Fe N14 O8 Zr -","- C144 H120 B2 Fe2 N28 O16 Zr2 -","2","1","","Chuprin, Alexander S.; Pavlov, Alexander A.; Vologzhanina, Anna V. V.; Dorovatovskii, Pavel; Makarenkov, Anton V.; Ol'shevskaya, Valentina Antonovna; Dudkin, Semyon V.; Voloshin, Yan Z.","Multistep synthesis and X-ray structure of the carboxyl-terminated hybrid iron(II) phthalocyaninatoclathrochelates and their postsynthetic transformation into polytopic carboranyl-containing derivatives","Dalton Transactions","2023","","","","","10.1039/D3DT00076A","","","0.745","synchrotron","","0.095","0.0595","","","0.1306","0.147","","","","","","1.058","","","","has coordinates","281005","2023-02-20","10:16:23",""
"7712325","9.97","0.002","11.03","0.002","13.31","0.003","87.32","0.03","88.96","0.03","78.04","0.03","1430.3","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B Fe N7 O7 -","- C28 H34 B Fe N7 O7 -","- C56 H68 B2 Fe2 N14 O14 -","2","1","","Chuprin, Alexander S.; Pavlov, Alexander A.; Vologzhanina, Anna V. V.; Dorovatovskii, Pavel; Makarenkov, Anton V.; Ol'shevskaya, Valentina Antonovna; Dudkin, Semyon V.; Voloshin, Yan Z.","Multistep synthesis and X-ray structure of the carboxyl-terminated hybrid iron(II) phthalocyaninatoclathrochelates and their postsynthetic transformation into polytopic carboranyl-containing derivatives","Dalton Transactions","2023","","","","","10.1039/D3DT00076A","","","0.745","synchrotron","","0.0457","0.0422","","","0.1071","0.1096","","","","","","1.055","","","","has coordinates,has disorder","281005","2023-02-20","10:16:23",""
"7712326","14.242","0.003","17.942","0.004","23.09","0.005","90","","93.33","0.03","90","","5890","2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H51 B Cl3 Fe N15 O7 Zr -","- C61.5 H51 B Cl3 Fe N15 O7 Zr -","- C246 H204 B4 Cl12 Fe4 N60 O28 Zr4 -","4","1","","Chuprin, Alexander S.; Pavlov, Alexander A.; Vologzhanina, Anna V. V.; Dorovatovskii, Pavel; Makarenkov, Anton V.; Ol'shevskaya, Valentina Antonovna; Dudkin, Semyon V.; Voloshin, Yan Z.","Multistep synthesis and X-ray structure of the carboxyl-terminated hybrid iron(II) phthalocyaninatoclathrochelates and their postsynthetic transformation into polytopic carboranyl-containing derivatives","Dalton Transactions","2023","","","","","10.1039/D3DT00076A","","","0.745","synchrotron","","0.0995","0.0739","","","0.1788","0.1941","","","","","","1.057","","","","has coordinates","281005","2023-02-20","10:16:24",""
"7712327","14.08","0.003","16.52","0.003","17.02","0.003","73.19","0.03","87.98","0.03","64.78","0.03","3410.7","1.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H44 B D16 Fe Hf N17 O8 -","- C72 H44 B D16 Fe Hf N17 O8 -","- C144 H88 B2 D32 Fe2 Hf2 N34 O16 -","2","1","","Chuprin, Alexander S.; Pavlov, Alexander A.; Vologzhanina, Anna V. V.; Dorovatovskii, Pavel; Makarenkov, Anton V.; Ol'shevskaya, Valentina Antonovna; Dudkin, Semyon V.; Voloshin, Yan Z.","Multistep synthesis and X-ray structure of the carboxyl-terminated hybrid iron(II) phthalocyaninatoclathrochelates and their postsynthetic transformation into polytopic carboranyl-containing derivatives","Dalton Transactions","2023","","","","","10.1039/D3DT00076A","","","0.745","synchrotron","","0.0691","0.0496","","","0.1063","0.1137","","","","","","1.043","","","","has coordinates,has disorder","281005","2023-02-20","10:16:24",""
"7712328","19.422","0.004","20.591","0.004","21.089","0.004","71.88","0.03","69.88","0.03","87.44","0.03","7508","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H61 B11 Fe N18 O7 Zr -","- C63 H61 B11 Fe N18 O7 Zr -","- C252 H244 B44 Fe4 N72 O28 Zr4 -","4","2","","Chuprin, Alexander S.; Pavlov, Alexander A.; Vologzhanina, Anna V. V.; Dorovatovskii, Pavel; Makarenkov, Anton V.; Ol'shevskaya, Valentina Antonovna; Dudkin, Semyon V.; Voloshin, Yan Z.","Multistep synthesis and X-ray structure of the carboxyl-terminated hybrid iron(II) phthalocyaninatoclathrochelates and their postsynthetic transformation into polytopic carboranyl-containing derivatives","Dalton Transactions","2023","","","","","10.1039/D3DT00076A","","","0.745","synchrotron","","0.1771","0.1088","","","0.1911","0.2086","","","","","","1.7","","","","has coordinates,has disorder","281005","2023-02-20","10:16:24",""
"7712329","11.9192","0.0005","13.1713","0.0006","25.8199","0.0007","90","","90","","90","","4053.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H60 Cl8 Mn2 N4 -","- C24 H60 Cl8 Mn2 N4 -","- C96 H240 Cl32 Mn8 N16 -","4","1","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","MoKα","","0.0319","0.0263","","","0.0737","0.0875","","","","","","0.742","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712330","12.203","0.002","12.945","0.003","13.94","0.003","82.61","0.03","89.09","0.03","87.74","0.03","2182","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Br4 Mn N2 -","- C12 H30 Br4 Mn N2 -","- C48 H120 Br16 Mn4 N8 -","4","2","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","synchrotron","","0.1529","0.1335","","","0.3863","0.4028","","","","","","1.574","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712331","7.329","0.0015","16.389","0.003","16.584","0.003","95.34","0.03","90.01","0.03","90.01","0.03","1983.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl8 Mn2 N4 -","- C6 H10 Cl8 Mn2 N4 -","- C24 H40 Cl32 Mn8 N16 -","4","2","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","synchrotron","","0.1909","0.1856","","","0.5137","0.5224","","","","","","2.62","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712332","12.568","0.003","12.568","0.003","25.478","0.012","90","","90","","90","","4024","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H15 Br5 Mn N6 -","- C9 H15 Br5 Mn N6 -","- C72 H120 Br40 Mn8 N48 -","8","0.5","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","synchrotron","","0.0622","0.0589","","","0.1748","0.1785","","","","","","1.082","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712333","13.149","0.003","12.377","0.003","13.958","0.003","90","","96.28","0.03","90","","2258","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Br4 Mn N2 -","- C12 H30 Br4 Mn N2 -","- C48 H120 Br16 Mn4 N8 -","4","1","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","synchrotron","","0.1692","0.1168","","","0.4228","0.4726","","","","","","1.467","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712334","12.413","0.003","12.413","0.003","25.463","0.012","90","","90","","90","","3923","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H15 Br5 Mn N6 -","- C9 H15 Br5 Mn N6 -","- C72 H120 Br40 Mn8 N48 -","8","0.5","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","synchrotron","","0.0797","0.0784","","","0.2182","0.2204","","","","","","1.092","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712335","26.4097","0.0002","26.4097","0.0002","26.4097","0.0002","90","","90","","90","","18420","0.2","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C48 H56 Ca N4 O17 Ti -","- C36 H25.308 Ca O11.654 Ti -","- C432 H303.696 Ca12 O139.848 Ti12 -","12","0.25","","Pan, Xuze; Si, Xuezhen; Zhang, Xiaoying; Yao, Qingxia; Li, Yunwu; Duan, Wenzeng; Qiu, Yi; Su, Jie; Huang, Xianqiang","A robust and porous titanium metal-organic framework for gas adsorption, CO<sub>2</sub> capture and conversion.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3896","3906","10.1039/d2dt03158b","","","1.54178","CuKα","","0.0909","0.0701","","","0.2013","0.2218","","","","","","1.045","","","","has coordinates,has disorder","283334","2023-05-05","02:37:21",""
"7712336","9.7167","0.0006","10.5316","0.0007","22.208","0.0013","87.551","0.002","82.318","0.002","84.784","0.002","2241.8","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 B N8 O Si3 Y -","- C38 H58 B N8 O Si3 Y -","- C76 H116 B2 N16 O2 Si6 Y2 -","2","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","x-ray","1.34138","GaKα","","0.0422","0.0386","","","0.1118","0.1253","","","","","","1.229","","","","has coordinates,has disorder","281054","2023-02-21","08:43:28",""
"7712337","10.2029","0.0004","10.79","0.0004","23.0484","0.0007","91.301","0.001","97.576","0.001","95.721","0.001","2501.05","0.16","172.99","","172.99","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 B N10 Si3 Y -","- C48 H60 B N10 Si3 Y -","- C96 H120 B2 N20 Si6 Y2 -","2","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","x-ray","1.34138","GaKα","","0.0623","0.0407","","","0.0822","0.0911","","","","","","1.021","","","","has coordinates","281054","2023-02-21","08:43:28",""
"7712338","9.714","0.0003","10.5154","0.0003","21.874","0.0007","98.518","0.001","93.937","0.001","94.128","0.001","2196.84","0.12","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B F N8 O Si3 Y -","- C39 H59 B F N8 O Si3 Y -","- C78 H118 B2 F2 N16 O2 Si6 Y2 -","2","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","x-ray","1.34138","GaKα","","0.0393","0.0379","","","0.104","0.1053","","","","","","1.039","","","","has coordinates","281054","2023-02-21","08:43:29",""
"7712339","9.7543","0.0003","10.6068","0.0003","22.019","0.0007","98.825","0.001","92.423","0.001","96.481","0.001","2232.65","0.12","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 B N8 O2 Si3 Y -","- C40 H62 B N8 O2 Si3 Y -","- C80 H124 B2 N16 O4 Si6 Y2 -","2","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","x-ray","1.34138","GaKα","","0.0579","0.0499","","","0.1362","0.1429","","","","","","1.08","","","","has coordinates","281054","2023-02-21","08:43:29",""
"7712340","11.0031","0.0003","22.215","0.0008","14.0346","0.0007","90","","108.192","0.002","90","","3259.1","0.2","173.01","","173.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 B N7 O S Si2 Y -","- C24 H45 B N7 O S Si2 Y -","- C96 H180 B4 N28 O4 S4 Si8 Y4 -","4","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","","1.34138","GaKα","","0.0955","0.0854","","","0.1976","0.2134","","","","","","1.064","","","","has coordinates","281054","2023-02-21","08:43:29",""
"7712341","9.8288","0.0006","10.6314","0.0006","21.1115","0.0012","100.208","0.002","90.122","0.002","95.118","0.002","2162.1","0.2","172.99","","172.99","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H60 B N8 O Si3 Y -","- C39 H60 B N8 O Si3 Y -","- C78 H120 B2 N16 O2 Si6 Y2 -","2","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","x-ray","1.34138","GaKα","","0.0632","0.057","","","0.1785","0.1852","","","","","","1.087","","","","has coordinates","281054","2023-02-21","08:43:29",""
"7712342","17.3751","0.0011","15.4894","0.001","16.8249","0.001","90","","93.992","0.003","90","","4517.1","0.5","173.01","","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 B N7 O2 Si3 Y -","- C39 H61 B N7 O2 Si3 Y -","- C156 H244 B4 N28 O8 Si12 Y4 -","4","1","","Cai, Jiamin; Zhang, Jie; Zhou, Xigeng","Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex","Dalton Transactions","2023","","","","","10.1039/D3DT00149K","","x-ray","1.34138","GaKα","","0.0431","0.0355","","","0.0886","0.0979","","","","","","1.103","","","","has coordinates","281054","2023-02-21","08:43:29",""
"7712343","12.3907","0.0003","15.0562","0.0003","17.4004","0.0005","105.345","0.002","105.894","0.002","97.538","0.002","2937.28","0.14","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C65 H46 Cl4 N2 Zn -","- C65 H46 Cl4 N2 Zn -","- C130 H92 Cl8 N4 Zn2 -","2","1","","Fumoto, Takuma; Tanaka, Ryo; Ooyama, Yousuke","Aggregation-induced emission of a bis(imino)acenaphthene zinc complex with tetraphenylethene units.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5047","5055","10.1039/d2dt03525a","","x-ray","0.71073","MoKα","","0.1014","0.0671","","","0.1631","0.1765","","","","","","1.027","","","","has coordinates","283309","2023-05-05","02:20:57",""
"7712344","12.3224","0.0002","14.595","0.0003","19.1625","0.0004","102.491","0.002","92.773","0.001","109.549","0.002","3143.33","0.12","123.04","0.1","123.04","0.1","","","","","","","","5","P -1","-P 1","2","","C65 H46 N2 Cl4 Pd1","","- C65 H46 Cl4 N2 Pd -","- C65 H46 Cl4 N2 Pd -","- C130 H92 Cl8 N4 Pd2 -","2","1","","Fumoto, Takuma; Tanaka, Ryo; Ooyama, Yousuke","Aggregation-induced emission of a bis(imino)acenaphthene zinc complex with tetraphenylethene units.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5047","5055","10.1039/d2dt03525a","","x-ray","0.71073","MoKα","","0.0563","0.0494","","","0.1406","0.1449","","","","","","1.056","","","","has coordinates,has disorder","283309","2023-05-05","02:21:00",""
"7712345","8.4173","0.0005","8.4366","0.0005","10.5472","0.0007","92.125","0.005","93.821","0.006","118.349","0.006","655.68","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cu N4 O8 -","- C26 H32 Cu N4 O8 -","- C26 H32 Cu N4 O8 -","1","0.5","","Somnath, Somnath; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","Ratiometric Luminescent Sensing of Biomarker for Sugar Consumption in Aqueous Medium by Cu(II) Coordination Polymer","Dalton Transactions","2023","","","","","10.1039/D3DT00022B","","x-ray","0.71073","MoKα","","0.1501","0.1362","","","0.4106","0.4186","","","","","","1.0425","","","","has coordinates","281056","2023-02-21","08:46:10",""
"7712346","10.9711","0.0002","11.9322","0.0002","14.576","0.0003","90","","98.992","0.002","90","","1884.68","0.06","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl3 N3 O2 Ru -","- C13 H21 Cl3 N3 O2 Ru -","- C52 H84 Cl12 N12 O8 Ru4 -","4","1","","Shahid, Nida; Singh, Rahul Kumar; Srivastava, Navdeep; Singh, Amrendra Kumar","Base-free synthesis of benchtop stable Ru(III)-NHC complexes from RuCl3·3H2O and their use as precursors for Ru(II)-NHC complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00243H","","x-ray","0.71073","MoKα","","0.0363","0.0309","","","0.0835","0.0868","","","","","","1.074","","","","has coordinates","281081","2023-02-22","09:06:00",""
"7712347","8.1527","0.0005","17.746","0.0014","12.1658","0.0007","90","","104.622","0.007","90","","1703.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12.5 H14.25 Cl3 N4.75 Ru -","- C11 H12 Cl3 N4 Ru -","- C44 H48 Cl12 N16 Ru4 -","4","1","","Shahid, Nida; Singh, Rahul Kumar; Srivastava, Navdeep; Singh, Amrendra Kumar","Base-free synthesis of benchtop stable Ru(III)-NHC complexes from RuCl3·3H2O and their use as precursors for Ru(II)-NHC complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00243H","","x-ray","0.71073","MoKα","","0.0988","0.0555","","","0.1346","0.1509","","","","","","1.049","","","","has coordinates","281081","2023-02-22","09:06:03",""
"7712348","15.0771","0.0005","10.9379","0.0005","16.8084","0.0006","90","","104.553","0.004","90","","2682.97","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F6 I N8 P Ru -","- C22 H22 F6 I N8 P Ru -","- C88 H88 F24 I4 N32 P4 Ru4 -","4","1","","Shahid, Nida; Singh, Rahul Kumar; Srivastava, Navdeep; Singh, Amrendra Kumar","Base-free synthesis of benchtop stable Ru(III)-NHC complexes from RuCl3·3H2O and their use as precursors for Ru(II)-NHC complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00243H","","x-ray","1.54184","CuKα","","0.1579","0.1166","","","0.3174","0.369","","","","","","1.039","","","","has coordinates","281081","2023-02-22","09:06:03",""
"7712349","11.8605","0.0004","23.0124","0.0007","19.4293","0.0006","90","","100.884","0.004","90","","5207.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H50 Cl2 N6 P2 Ru -","- C51 H44 Cl2 N4 P2 Ru -","- C204 H176 Cl8 N16 P8 Ru4 -","4","1","","Shahid, Nida; Singh, Rahul Kumar; Srivastava, Navdeep; Singh, Amrendra Kumar","Base-free synthesis of benchtop stable Ru(III)-NHC complexes from RuCl3·3H2O and their use as precursors for Ru(II)-NHC complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00243H","","x-ray","0.71073","MoKα","","0.1083","0.0625","","","0.1532","0.1844","","","","","","0.99","","","","has coordinates","281081","2023-02-22","09:06:03",""
"7712350","13.3256","0.001","13.3256","0.001","14.8199","0.0016","90","","90","","120","","2279","0.3","296.15","","296.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 O30 Rb7 Sc2 Sr -","- B15 O30 Rb7 Sc2 Sr -","- B45 O90 Rb21 Sc6 Sr3 -","3","0.166667","","Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong","Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges","Dalton Transactions","2023","","","","","10.1039/D3DT00197K","","","0.71073","MoKα","","0.1084","0.0611","","","0.1575","0.1772","","","","","","1.062","","","","has coordinates","281082","2023-02-22","09:07:08",""
"7712351","13.3114","0.001","13.3114","0.001","14.5992","0.0016","90","","90","","120","","2240.3","0.3","296.15","","296.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca O30 Rb7 Sc2 -","- B15 Ca O30 Rb7 Sc2 -","- B45 Ca3 O90 Rb21 Sc6 -","3","0.166667","","Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong","Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges","Dalton Transactions","2023","","","","","10.1039/D3DT00197K","","","0.71073","MoKα","","0.1145","0.0508","","","0.0844","0.0974","","","","","","1.025","","","","has coordinates","281082","2023-02-22","09:07:17",""
"7712352","4.2648","0.0002","9.6408","0.0004","18.7288","0.0007","91.577","0.003","91.691","0.004","97.222","0.004","763.23","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H9 Br F2 N2 O2 Pt -","- C17 H9 Br F2 N2 O2 Pt -","- C34 H18 Br2 F4 N4 O4 Pt2 -","2","1","","Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield","Dalton Transactions","2023","","","","","10.1039/D3DT00192J","","x-ray","1.54184","CuKα","","0.0404","0.037","","","0.1004","0.1083","","","","","","1.087","","","","has coordinates","281083","2023-02-22","09:08:27",""
"7712353","7.1788","0.0001","20.8576","0.0004","9.8686","0.0002","90","","90","","90","","1477.65","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br N2 O2 Pt -","- C17 H11 Br N2 O2 Pt -","- C68 H44 Br4 N8 O8 Pt4 -","4","1","","Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield","Dalton Transactions","2023","","","","","10.1039/D3DT00192J","","x-ray","1.54184","CuKα","","0.0252","0.0235","","","0.0622","0.0628","","","","","","1.063","","","","has coordinates","281083","2023-02-22","09:08:28",""
"7712354","18.1002","0.0006","7.8365","0.0002","20.7171","0.0005","90","","90","","90","","2938.56","0.14","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H20 Br2 F2 N4 O4 Pt2 -","- C34 H20 Br2 F2 N4 O4 Pt2 -","- C136 H80 Br8 F8 N16 O16 Pt8 -","4","1","","Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield","Dalton Transactions","2023","","","","","10.1039/D3DT00192J","","x-ray","1.54184","CuKα","","0.0477","0.0455","","","0.1183","0.1199","","","","","","1.083","","","","has coordinates","281083","2023-02-22","09:08:28",""
"7712355","20.555","0.003","12.9833","0.0017","14.98","0.002","90","","98.432","0.002","90","","3954.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 F12 Fe2 N14 O13 S4 -","- C74 H64 F12 Fe2 N14 O13 S4 -","- C148 H128 F24 Fe4 N28 O26 S8 -","2","0.5","","Rettig, Irving D.; Halvorsen, Kristine M.; McCormick, Theresa M.","Synthesis, photophysical characterization, and aerobic redox reactivity of electron-rich tellurorhodamine photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2023","52","13","3990","4001","10.1039/d2dt03534k","","","0.71073","MoKα","","0.0731","0.0495","","","0.1231","0.1358","","","","","","1.033","","","","has coordinates,has disorder","283312","2023-05-05","02:21:53",""
"7712356","14.191","0.003","12.9","0.003","19.623","0.004","90","","98.6","0.03","90","","3551.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 F12 Fe2 N10 O13 S4 -","- C62 H42 F12 Fe2 N10 O12 S4 -","- C124 H84 F24 Fe4 N20 O24 S8 -","2","0.5","","Rettig, Irving D.; Halvorsen, Kristine M.; McCormick, Theresa M.","Synthesis, photophysical characterization, and aerobic redox reactivity of electron-rich tellurorhodamine photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2023","52","13","3990","4001","10.1039/d2dt03534k","","","0.71073","MoKα","","0.1238","0.0438","","","0.0937","0.1054","","","","","","0.868","","","","has coordinates,has disorder","283312","2023-05-05","02:21:54",""
"7712357","20.555","0.003","12.9833","0.0017","14.98","0.002","90","","98.432","0.002","90","","3954.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 F12 Fe2 N14 O13 S4 -","- C74 H64 F12 Fe2 N14 O13 S4 -","- C148 H128 F24 Fe4 N28 O26 S8 -","2","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","","0.71073","MoKα","","0.0731","0.0495","","","0.1231","0.1358","","","","","","1.033","","","","has coordinates,has disorder","283333","2023-05-05","02:36:38",""
"7712358","14.191","0.003","12.9","0.003","19.623","0.004","90","","98.6","0.03","90","","3551.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 F12 Fe2 N10 O13 S4 -","- C62 H42 F12 Fe2 N10 O12 S4 -","- C124 H84 F24 Fe4 N20 O24 S8 -","2","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","","0.71073","MoKα","","0.1238","0.0438","","","0.0937","0.1054","","","","","","0.868","","","","has coordinates,has disorder","283333","2023-05-05","02:36:50",""
"7712359","12.507","0.0002","18.5677","0.0004","19.0009","0.0004","79.425","0.002","76.139","0.002","88.15","0.002","4210.94","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H110 Br N P2 Pt Si -","- C98 H110 Br N P2 Pt Si -","- C196 H220 Br2 N2 P4 Pt2 Si2 -","2","1","","Hädinger, Pauline; Hinz, Alexander","Reactivity of Pt(0) bromosilylene complexes towards ethylene","Dalton Transactions","2023","52","8","2214","2218","10.1039/D3DT00170A","","x-ray","1.34143","GaKα","","0.0346","0.0335","","","0.0853","0.0859","","","","","","1.052","","","","has coordinates,has disorder","281086","2023-02-22","09:14:13",""
"7712360","12.8841","0.0008","14.2936","0.0006","25.1199","0.0012","86.724","0.004","85.053","0.004","87.61","0.004","4598.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H158 Br N P2 Pt Si -","- C96 H158 Br N P2 Pt Si -","- C192 H316 Br2 N2 P4 Pt2 Si2 -","2","1","","Hädinger, Pauline; Hinz, Alexander","Reactivity of Pt(0) bromosilylene complexes towards ethylene","Dalton Transactions","2023","52","8","2214","2218","10.1039/D3DT00170A","","x-ray","1.34143","GaKα","","0.035","0.0281","","","0.0749","0.0767","","","","","","1.054","","","","has coordinates,has disorder","281086","2023-02-22","09:14:14",""
"7712361","13.9653","0.0009","15.3055","0.0009","20.3949","0.0015","90","","103.984","0.006","90","","4230.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64.83 Br0.17 N Si -","- C48 H64.8283 Br0.1717 N Si -","- C192 H259.313 Br0.6868 N4 Si4 -","4","1","","Hädinger, Pauline; Hinz, Alexander","Reactivity of Pt(0) bromosilylene complexes towards ethylene","Dalton Transactions","2023","52","8","2214","2218","10.1039/D3DT00170A","","x-ray","0.71073","MoKα","","0.1045","0.0639","","","0.1517","0.1747","","","","","","1.02","","","","has coordinates,has disorder","281086","2023-02-22","09:14:14",""
"7712362","15.269","0.001","15.7982","0.0009","22.2137","0.0014","106.144","0.005","109.17","0.005","90.351","0.005","4833.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H154 Br N P2 Pt Si -","- C88 H138 Br N P2 Pt Si -","- C176 H276 Br2 N2 P4 Pt2 Si2 -","2","1","","Hädinger, Pauline; Hinz, Alexander","Reactivity of Pt(0) bromosilylene complexes towards ethylene","Dalton Transactions","2023","52","8","2214","2218","10.1039/D3DT00170A","","x-ray","0.71073","MoKα","","0.0898","0.078","","","0.1925","0.1999","","","","","","1.156","","","","has coordinates,has disorder","281086","2023-02-22","09:14:14",""
"7712363","8.153","0.0017","15.095","0.003","8.105","0.0017","90","","95.505","0.017","90","","992.9","0.4","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 B2 P2 -","- C16 H40 B2 P2 -","- C32 H80 B4 P4 -","2","0.5","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.041","0.0329","","","0.0875","0.09","","","","","","1.078","","","","has coordinates","281087","2023-02-22","09:16:11",""
"7712364","19.778","0.004","8.6662","0.001","20.415","0.004","90","","118.914","0.013","90","","3063","1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 B3 P3 -","- C26 H56 B3 P3 -","- C104 H224 B12 P12 -","4","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","1.54186","CuKα","","0.2738","0.1179","","","0.2506","0.3517","","","","","","1.019","","","","has coordinates","281087","2023-02-22","09:16:20",""
"7712365","7.7997","0.0013","10.8175","0.0017","18.377","0.004","90","","90","","90","","1550.5","0.5","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 B2 P S -","- C12 H25 B2 P S -","- C48 H100 B8 P4 S4 -","4","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.063","0.0529","","","0.1372","0.1426","","","","","","1.062","","","","has coordinates","281087","2023-02-22","09:16:28",""
"7712366","8.5887","0.0009","13.8357","0.0016","9.1332","0.0011","90","","98.207","0.009","90","","1074.2","0.2","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H39 B2 Br P2 -","- C16 H39 B2 Br P2 -","- C32 H78 B4 Br2 P4 -","2","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.045","0.0343","","","0.0746","0.079","","","","","","1.025","","","","has coordinates","281087","2023-02-22","09:16:40",""
"7712367","12.99","0.005","18.828","0.006","12.969","0.005","90","","100.24","0.03","90","","3121","2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 B3 P3 -","- C28 H52 B3 P3 -","- C112 H208 B12 P12 -","4","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.0718","0.0626","","","0.1792","0.1903","","","","","","1.122","","","","has coordinates","281087","2023-02-22","09:16:50",""
"7712368","11.0382","0.0002","19.0404","0.0003","15.9387","0.0003","90","","106.256","0.002","90","","3215.94","0.1","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 B3 P3 -","- C28 H64 B3 P3 -","- C112 H256 B12 P12 -","4","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.0523","0.0388","","","0.0969","0.1027","","","","","","1.079","","","","has coordinates","281087","2023-02-22","09:16:56",""
"7712369","14.946","0.004","15.76","0.004","19.285","0.005","90","","90","","90","","4543","2","245","2","245","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C34 H54 Cl8 In2 N8 O2 -","- C34 H54 Cl8 In2 N8 O2 -","- C136 H216 Cl32 In8 N32 O8 -","4","0.5","","Lara, Agustin; Martínez de Sarasa Buchaca, Marc; de la Cruz-Martínez, Felipe; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Tejeda, Juan; Rodríguez, Ana María; Castro-Osma, José Antonio","One-pot terpolymerization of CHO, CO2 and L-lactide using chloride indium catalysts","Dalton Transactions","2023","","","","","10.1039/D3DT00391D","","","0.71073","MoKα","","0.0758","0.0535","","","0.1275","0.1405","","","","","","1.055","","","","has coordinates","281088","2023-02-22","09:18:05",""
"7712370","15.5042","0.0005","7.8841","0.0003","19.5359","0.0008","90","","90","","90","","2388","0.15","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba2 Ce H2 I8 O25 -","- Ba2 Ce H2 I8 O25 -","- Ba8 Ce4 H8 I32 O100 -","4","1","","Zhang, Xue-Ying; Zhang, Xiao-Han; Yang, Bing-Ping; Mao, Jiang-Gao","A new polar alkaline earth−rare earth−iodate, Ba2Ce(IO3)8(H2O)","Dalton Transactions","2023","","","","","10.1039/D3DT00326D","","x-ray","0.71073","MoKα","","0.0277","0.0246","","","0.0527","0.0548","","","","","","1.052","","","","has coordinates","281101","2023-02-23","08:42:40",""
"7712371","10.3495","0.0002","13.4237","0.0002","16.999","0.0003","105.367","0.001","91.268","0.001","105.503","0.001","2183.35","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 B Cl Co Fe N6 O7 -","- C46 H45 B Cl Co Fe N6 O7 -","- C92 H90 B2 Cl2 Co2 Fe2 N12 O14 -","2","1","","Belov, Alexander S.; Belova, Svetlana A.; Efimov, Nikolay N.; Zlobina, Veronika V.; Novikov, Valentin V.; Nelyubina, Yulya V.; Zubavichus, Yan V.; Voloshin, Yan Z.; Pavlov, Alexander A.","Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt(II) tris-pyridineoximates possessing SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04073e","","","0.71073","MoKα","","0.0513","0.0375","","","0.0785","0.0858","","","","","","1.018","","","","has coordinates","281102","2023-02-23","08:45:20",""
"7712372","10.939","0.002","13.525","0.003","14.224","0.003","104.71","0.03","112.39","0.03","95.43","0.03","1838.4","0.9","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H30 B Cl Co N6 O9 S2 -","- C29 H30 B Cl Co N6 O9 S2 -","- C58 H60 B2 Cl2 Co2 N12 O18 S4 -","2","1","","Belov, Alexander S.; Belova, Svetlana A.; Efimov, Nikolay N.; Zlobina, Veronika V.; Novikov, Valentin V.; Nelyubina, Yulya V.; Zubavichus, Yan V.; Voloshin, Yan Z.; Pavlov, Alexander A.","Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt(II) tris-pyridineoximates possessing SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04073e","","","0.9699","synchrotron","","0.1147","0.0975","","","0.2322","0.2492","","","","","","1.013","","","","has coordinates","281102","2023-02-23","08:45:43",""
"7712373","8.8994","0.0018","24.847","0.005","15.741","0.003","90","","98.36","0.03","90","","3443.7","1.2","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B Br Cl3 Co N6 O7 -","- C29 H29 B Br Cl3 Co N6 O7 -","- C116 H116 B4 Br4 Cl12 Co4 N24 O28 -","4","1","","Belov, Alexander S.; Belova, Svetlana A.; Efimov, Nikolay N.; Zlobina, Veronika V.; Novikov, Valentin V.; Nelyubina, Yulya V.; Zubavichus, Yan V.; Voloshin, Yan Z.; Pavlov, Alexander A.","Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt(II) tris-pyridineoximates possessing SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04073e","","","0.9699","synchrotron","","0.1625","0.0909","","","0.1937","0.2322","","","","","","1.082","","","","has coordinates,has disorder","281102","2023-02-23","08:45:57",""
"7712374","9.7269","0.0004","12.7417","0.0006","14.5254","0.0007","84.461","0.002","78.992","0.002","71.35","0.002","1673.11","0.13","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Br Ga N2 O2 -","- C36 H46 Br Ga N2 O2 -","- C72 H92 Br2 Ga2 N4 O4 -","2","1","","Jaraba Cabrera, Diego; Lewis, Ryan; Díez-Poza, Carlos; Alvarez-Miguel, Lucia; Mosquera, Marta Elena Gonzalez; Hamilton, Alex; Whiteoak, Christopher J.","Group 13 Salphen compounds (In, Ga and Al): A comparison of their structural features and activities as catalysts for cyclic carbonate synthesis","Dalton Transactions","2023","","","","","10.1039/D3DT00089C","","","0.71073","MoKα","","0.064","0.0391","","","0.0837","0.0943","","","","","","1.047","","","","has coordinates","281103","2023-02-23","08:47:26",""
"7712375","7.6466","0.0003","18.2837","0.0007","25.0241","0.0011","90","","96.779","0.002","90","","3474.1","0.2","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Ga I N2 O2 -","- C36 H46 Ga I N2 O2 -","- C144 H184 Ga4 I4 N8 O8 -","4","1","","Jaraba Cabrera, Diego; Lewis, Ryan; Díez-Poza, Carlos; Alvarez-Miguel, Lucia; Mosquera, Marta Elena Gonzalez; Hamilton, Alex; Whiteoak, Christopher J.","Group 13 Salphen compounds (In, Ga and Al): A comparison of their structural features and activities as catalysts for cyclic carbonate synthesis","Dalton Transactions","2023","","","","","10.1039/D3DT00089C","","x-ray","0.71073","MoKα","","0.0663","0.0396","","","0.0819","0.0908","","","","","","0.996","","","","has coordinates","281103","2023-02-23","08:47:33",""
"7712376","9.4923","0.001","17.269","0.0018","18.576","0.0018","104.345","0.003","98.054","0.003","90.238","0.003","2918.6","0.5","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 Au P3 Rh -","- C48 H70 Au P3 Rh -","- C96 H140 Au2 P6 Rh2 -","2","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.1088","0.0556","","","0.1258","0.1544","","","","","","0.989","","","","has coordinates","281104","2023-02-23","08:51:36",""
"7712377","25.8321","0.0008","8.9867","0.0003","40.1396","0.0018","90","","93.4312","0.0017","90","","9301.5","0.6","193","","193","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H104 Au2 F12 N2 O8 P6 Rh2 S4 -","- C82 H104 Au2 F12 N2 O8 P6 Rh2 S4 -","- C328 H416 Au8 F48 N8 O32 P24 Rh8 S16 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0959","0.0656","","","0.1031","0.1109","","","","","","1.089","","","","has coordinates,has disorder","281104","2023-02-23","08:51:40",""
"7712378","9.2418","0.0004","8.9282","0.0004","33.9326","0.0013","90","","96.2885","0.0012","90","","2783","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 P2 Rh -","- C35 H31 P2 Rh -","- C140 H124 P8 Rh4 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0431","0.0318","","","0.0576","0.062","","","","","","1.11","","","","has coordinates","281104","2023-02-23","08:51:42",""
"7712379","10.992","0.0004","19.9168","0.0007","16.4411","0.0005","90","","104.179","0.0012","90","","3489.7","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 P2 Rh -","- C45 H37 P2 Rh -","- C180 H148 P8 Rh4 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.07","0.0376","","","0.0718","0.0893","","","","","","1.139","","","","has coordinates","281104","2023-02-23","08:51:43",""
"7712380","14.1319","0.0013","17.4134","0.0015","23.475","0.002","85.692","0.004","88.744","0.004","86.622","0.004","5749.6","0.9","193","","193","","","","","","","","","9","P -1","-P 1","2","","","","- C110 H140 Au2 F12 N2 O8 P6 Rh2 S4 -","- C110 H140 Au2 F12 N2 O8 P6 Rh2 S4 -","- C220 H280 Au4 F24 N4 O16 P12 Rh4 S8 -","2","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.151","0.0863","","","0.1661","0.1991","","","","","","1.052","","","","has coordinates","281104","2023-02-23","08:51:43",""
"7712381","22.0242","0.0017","15.02","0.001","24.1969","0.0018","90","","110.708","0.003","90","","7487.3","1","193","","193","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C83 H76 Au F6 N O4 P3 Rh S2 -","- C83 H76 Au F6 N O4 P3 Rh S2 -","- C332 H304 Au4 F24 N4 O16 P12 Rh4 S8 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0481","0.0374","","","0.0921","0.0996","","","","","","1.036","","","","has coordinates","281104","2023-02-23","08:51:45",""
"7712382","13.5273","0.0005","20.7432","0.0008","16.8019","0.0007","90","","91.1697","0.0012","90","","4713.6","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 Au P2 -","- C45 H51 Au P2 -","- C180 H204 Au4 P8 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0641","0.0403","","","0.092","0.1043","","","","","","1.046","","","","has coordinates,has disorder","281104","2023-02-23","08:51:45",""
"7712383","13.0982","0.0004","17.1018","0.0004","30.9379","0.0009","90","","90","","90","","6930.2","0.3","193","","193","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C69 H70 Au F6 N O4 P3 Rh S2 -","- C69 H70 Au F6 N O4 P3 Rh S2 -","- C276 H280 Au4 F24 N4 O16 P12 Rh4 S8 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0789","0.0408","","","0.0802","0.1006","","","","","","1.104","","","","has coordinates","281104","2023-02-23","08:51:46",""
"7712384","24.0998","0.0007","24.7705","0.0008","28.1675","0.0009","90","","112.864","0.0011","90","","15493.8","0.8","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H73.5 Au N P2 Rh -","- C71 H73.5 Au N P2 Rh -","- C568 H588 Au8 N8 P16 Rh8 -","8","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0462","0.0364","","","0.1108","0.1187","","","","","","1.051","","","","has coordinates","281104","2023-02-23","08:51:47",""
"7712385","7.58035","0.00014","13.1249","0.0003","10.13126","0.00018","90","","95.9409","0.0016","90","","1002.56","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N6 O14 -","- C16 H12 N6 O14 -","- C32 H24 N12 O28 -","2","0.5","","Shreeve, Jean'ne M.; Lal, Sohan; Staples, Richard J.","Design and Synthesis of Phenylene-Bridged Isoxazole and Tetrazole-1-ol Based Energetic Materials of Low Sensitivity†","Dalton Transactions","2023","","","","","10.1039/D3DT00166K","","x-ray","1.54184","CuKα","","0.0382","0.0347","","","0.0924","0.0955","","","","","","1.064","","","","has coordinates,has disorder","281105","2023-02-23","08:53:25",""
"7712386","17.626","0.0003","17.626","0.0003","154.6133","0.0019","90","","90","","120","","41599.2","1.1","99.8","0.9","100.15","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C147.5 H152 Cu14 O5.5 P7 S3 -","- C138 H142 Cu14 P7 S3 -","- C1656 H1704 Cu168 P84 S36 -","12","0.333333","","Wang, Lin; Yan, Xiaodan; Tian, Guolong; Xie, Zhenlang; Shi, Shanshan; Zhang, Yuhao; Li, Simin; Sun, Xueli; Sun, Jing; He, Jinlu; Shen, Hui","Chiral copper-hydride nanoclusters: synthesis, structure, and assembly.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03788b","","","1.54184","CuKα","","0.0377","0.0339","","","0.0873","0.0897","","","","","","1.038","","","","has coordinates","281106","2023-02-23","08:54:47",""
"7712387","19.7197","0.001","19.7197","0.001","10.9727","0.0006","90","","90","","90","","4266.9","0.4","150","","150","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C32 H96 Cl La N4 O44 S12 V12 -","- C32 H96 Cl La N4 O44 S12 V12 -","- C64 H192 Cl2 La2 N8 O88 S24 V24 -","2","0.25","","Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten","Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates","Dalton Transactions","2023","","","","","10.1039/D3DT00252G","","","0.71073","MoKα","","0.0353","0.0308","","","0.0694","0.0723","","","","","","1.078","","","","has coordinates,has disorder","281120","2023-02-24","08:43:28",""
"7712388","19.7295","0.0007","19.7295","0.0007","10.9901","0.0005","90","","90","","90","","4277.9","0.3","150","","150","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C32 H96 Br La N4 O44 S12 V12 -","- C32 H96 Br La N4 O44 S12 V12 -","- C64 H192 Br2 La2 N8 O88 S24 V24 -","2","0.25","","Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten","Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates","Dalton Transactions","2023","","","","","10.1039/D3DT00252G","","","0.71073","MoKα","","0.0488","0.0467","","","0.1329","0.135","","","","","","1.09","","","","has coordinates,has disorder","281120","2023-02-24","08:43:38",""
"7712389","19.636","0.0013","19.636","0.0013","10.9821","0.0011","90","","90","","90","","4234.4","0.6","150","2","150","","","","","","","","","8","P -4","P -4","81","","","","- C31 H85 Ba Br N4 O43.5 S12 V12 -","- C31 H85 Ba Br N4 O43.5 S12 V12 -","- C62 H170 Ba2 Br2 N8 O87 S24 V24 -","2","0.5","","Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten","Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates","Dalton Transactions","2023","","","","","10.1039/D3DT00252G","","","0.71073","MoKα","","0.0408","0.0279","","","0.0701","0.0797","","","","","","1.108","","","","has coordinates,has disorder","281120","2023-02-24","08:43:47",""
"7712390","10.7495","0.0004","11.4159","0.0005","12.8872","0.0005","90","","107.245","0.001","90","","1510.36","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 B10 N O2 -","- C10 H17 B10 N O2 -","- C40 H68 B40 N4 O8 -","4","1","","Zhang, Cai-Yan; Cao, Ke; Liu, Dechun; Yang, Han-Bo; Teng, Chao-Chao; Li, Bo; Yang, Junxiao","Iridium-catalyzed selective amination of B(4)-H for the synthesis of <i>o</i>-carborane-fused indolines.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00316g","","","0.71073","MoKα","","0.0908","0.0552","","","0.1165","0.1442","","","","","","1.054","","","","has coordinates","281121","2023-02-24","08:45:36",""
"7712391","21.48","0.002","12.8355","0.0012","12.6104","0.0013","90","","105.394","0.003","90","","3352","0.6","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B10 N O2 -","- C11 H19 B10 N O2 -","- C88 H152 B80 N8 O16 -","8","2","","Zhang, Cai-Yan; Cao, Ke; Liu, Dechun; Yang, Han-Bo; Teng, Chao-Chao; Li, Bo; Yang, Junxiao","Iridium-catalyzed selective amination of B(4)-H for the synthesis of <i>o</i>-carborane-fused indolines.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00316g","","","0.71073","MoKα","","0.213","0.1045","","","0.1858","0.2232","","","","","","1.055","","","","has coordinates","281121","2023-02-24","08:45:52",""
"7712392","7.0289","0.0005","19.6397","0.0015","11.4366","0.0009","90","","97.502","0.003","90","","1565.3","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 B10 N O2 -","- C10 H17 B10 N O2 -","- C40 H68 B40 N4 O8 -","4","1","","Zhang, Cai-Yan; Cao, Ke; Liu, Dechun; Yang, Han-Bo; Teng, Chao-Chao; Li, Bo; Yang, Junxiao","Iridium-catalyzed selective amination of B(4)-H for the synthesis of <i>o</i>-carborane-fused indolines.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00316g","","","0.71073","MoKα","","0.117","0.0608","","","0.1334","0.1711","","","","","","1.031","","","","has coordinates","281121","2023-02-24","08:46:04",""
"7712393","22.133","0.0002","22.133","0.0002","38.3955","0.0003","90","","90","","120","","16288.9","0.2","298","","298","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C58 H27 In4 N2 O26 -","- C57 H27 In4 N2 O26 -","- C342 H162 In24 N12 O156 -","6","0.25","","Lv, Hongxiao; Fan, Liming; Hu, Tuoping; Jiao, Chenxu; Zhang, Xiutang","A highly robust cluster-based indium(III)-organic framework with efficient catalytic activity in cycloaddition of CO<sub>2</sub> and Knoevenagel condensation.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04043c","","x-ray","1.54184","CuKα","","0.0592","0.0572","","","0.1438","0.1452","","","","","","1.048","","","","has coordinates,has disorder","281122","2023-02-24","08:48:46",""
"7712394","8.4085","0.0004","11.4813","0.0005","20.4931","0.0007","105.562","0.004","100.603","0.003","90.042","0.004","1870.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","4","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0571","0.0387","","","0.081","0.0889","","","","","","1.02","","","","has coordinates","281138","2023-02-25","08:36:21",""
"7712395","24.2242","0.0005","14.3455","0.0003","11.8463","0.0002","90","","90","","90","","4116.69","0.14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C176 H192 N32 S16 -","16","2","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0477","0.0364","","","0.088","0.0945","","","","","","1.024","","","","has coordinates","281138","2023-02-25","08:36:22",""
"7712396","13.8662","0.0002","13.8662","0.0002","32.5715","0.0005","90","","90","","120","","5423.55","0.14","100","2","100.15","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C36 H29 Au F5 N3 O3 P S3 -","- C36 H29 Au F5 N3 O3 P S3 -","- C216 H174 Au6 F30 N18 O18 P6 S18 -","6","1","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0413","0.037","","","0.0888","0.0914","","","","","","1.071","","","","has coordinates,has disorder","281138","2023-02-25","08:36:22",""
"7712397","14.8378","0.0002","12.77496","0.00015","14.0307","0.0002","90","","115.415","0.0019","90","","2402.16","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Au F5 N3 S2 -","- C25 H19 Au F5 N3 S2 -","- C100 H76 Au4 F20 N12 S8 -","4","1","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0223","0.0195","","","0.0451","0.0461","","","","","","1.084","","","","has coordinates","281138","2023-02-25","08:36:22",""
"7712398","5.6436","0.0011","11.4","0.002","12.26","0.003","101.37","0.03","90.7","0.03","99.42","0.03","762.1","0.3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C11.333 H10 N2 S1.333 -","- C11.3333 H10 N2 S1.33333 -","- C34 H30 N6 S4 -","3","1.5","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0659","0.0428","","","0.0908","0.1021","","","","","","1.0447","","","","has coordinates","281138","2023-02-25","08:36:23",""
"7712399","8.5021","0.0003","10.7959","0.0004","11.6276","0.0004","74.821","0.003","89.867","0.003","71.907","0.003","975.47","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F2 N4 S2 -","- C20 H18 F2 N4 S2 -","- C40 H36 F4 N8 S4 -","2","1","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0474","0.0365","","","0.0846","0.0898","","","","","","1.0815","","","","has coordinates,has disorder","281138","2023-02-25","08:36:23",""
"7712400","7.2678","0.0002","10.3032","0.0003","11.8115","0.0004","66.05","0.003","75.68","0.003","86.964","0.002","782.07","0.05","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F2 N3 S2 -","- C17 H13 F2 N3 S2 -","- C34 H26 F4 N6 S4 -","2","1","","Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion","Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00079F","","","0.71073","MoKα","","0.0373","0.0323","","","0.0838","0.0878","","","","","","1.0443","","","","has coordinates,has disorder","281138","2023-02-25","08:36:23",""
"7712401","10.43198","0.00018","7.47537","0.00023","7.28416","0.0003","90","","91.748","0.0028","90","","567.78","0.03","298","","300","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Fe Mg N6 Na2 -","- C6 Fe Mg N6 Na2 -","- C12 Fe2 Mg2 N12 Na4 -","2","0.5","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","powder diffraction","x-ray","1.54051","CuKα","","","","","","0.0186","","0.84579","","1.647","","","","","","","has coordinates","281139","2023-02-25","08:38:55",""
"7712402","7.4638","0.001","7.6331","0.0009","10.9182","0.0016","90","","90","0","90","","622.03","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ca Fe N6 Na2 O2 -","- C6 H4 Ca Fe N6 Na2 O2 -","- C12 H8 Ca2 Fe2 N12 Na4 O4 -","2","0.5","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","","","0.71073","MoKα","","0.0405","0.0266","","","0.0441","0.0467","","","","","","0.93","","","","has coordinates","281139","2023-02-25","08:38:58",""
"7712403","7.2611","0.0005","7.2611","0.0005","45.873","0.005","90","","90","","120","","2094.6","0.3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C2.4 H2.4 Ba0.4 Fe0.4 K0.8 N2.4 O1.2 -","- C2.4 H2.4 Ba0.4 Fe0.4 K0.8 N2.4 O1.2 -","- C36 H36 Ba6 Fe6 K12 N36 O18 -","15","0.416667","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","","","0.71073","MoKα","","0.0163","0.0138","","","0.0356","0.0367","","","","","","1.074","","","","has coordinates,has disorder","281139","2023-02-25","08:39:03",""
"7712404","12.8405","0.001","13.7735","0.0012","7.3358","0.0006","90","","90","","90","","1297.4","0.19","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H4 Ca Fe K2 N6 O2 -","- C6 H4 Ca Fe K2 N6 O2 -","- C24 H16 Ca4 Fe4 K8 N24 O8 -","4","0.5","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","","","0.71073","MoKα","","0.089","0.0821","","","0.1844","0.1872","","","","","","0.978","","","","has coordinates","281139","2023-02-25","08:39:03",""
"7712405","13.8435","0.0006","7.7597","0.0003","12.0631","0.0006","90","","112.628","0.005","90","","1196.08","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 Fe K2 N6 O Sr -","- C6 H2 Fe K2 N6 O Sr -","- C24 H8 Fe4 K8 N24 O4 Sr4 -","4","1","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","","","0.71073","MoKα","","0.0405","0.0286","","","0.0696","0.0736","","","","","","1.017","","","","has coordinates","281139","2023-02-25","08:39:03",""
"7712406","10.30124","0.00029","7.51475","0.00023","7.06772","0.00021","90","","90.3221","0.0008","90","","547.11","0.03","298","","300","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Ca Fe K2 N6 -","- C6 Ca Fe K2 N6 -","- C12 Ca2 Fe2 K4 N12 -","2","0.5","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","powder diffraction","x-ray","1.54051","CuKα","","","","","","0.02602","","0.14682","","1.077","","","","","","","has coordinates","281139","2023-02-25","08:39:03",""
"7712407","10.072","0.0015","7.2919","0.0013","6.9644","0.0014","90","","90.241","0.005","90","","511.49","0.16","298","","300","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Fe K2 Mg N6 -","- C6 Fe K2 Mg N6 -","- C12 Fe2 K4 Mg2 N12 -","2","0.5","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","powder diffraction","x-ray","1.54051","CuKα","","","","","","0.0597","","0.5146","","2.799","","","","","","","has coordinates","281139","2023-02-25","08:39:03",""
"7712408","13.4054","0.0005","14.5302","0.0007","18.0084","0.0007","72.181","0.005","85.818","0.005","76.627","0.004","3248.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H63 Br3 Cl3 O0.5 P2 Pd -","- C69 H57 Br3 P2 Pd -","- C138 H114 Br6 P4 Pd2 -","2","1","","Shenoy, Rashmi V.; Jones, P. G.; Soler, José Vicente; Martinez-Viviente, Eloisa","Synthesis of Mono-, Di- and Tripalladated 1,3,5-Benzenetristyryl Complexes. CO Insertion to give a Dipalladated Indenone","Dalton Transactions","2023","","","","","10.1039/D3DT00091E","","","0.71073","MoKα","","0.0428","0.0268","","","0.0482","0.0491","","","","","","0.843","","","","has coordinates","281140","2023-02-25","08:40:25",""
"7712409","11.3541","0.0003","40.7113","0.0011","8.9369","0.0002","90","","90","","90","","4130.99","0.18","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H43 Br3 P2 Pd -","- C46 H43 Br3 P2 Pd -","- C184 H172 Br12 P8 Pd4 -","4","1","","Shenoy, Rashmi V.; Jones, P. G.; Soler, José Vicente; Martinez-Viviente, Eloisa","Synthesis of Mono-, Di- and Tripalladated 1,3,5-Benzenetristyryl Complexes. CO Insertion to give a Dipalladated Indenone","Dalton Transactions","2023","","","","","10.1039/D3DT00091E","","","0.71073","MoKα","","0.0347","0.025","","","0.032","0.0326","","","","","","0.843","","","","has coordinates","281140","2023-02-25","08:40:25",""
"7712410","2.8906","0.0001","9.8024","0.0003","12.5804","0.0004","90","","90","","90","","356.46","0.02","296","2","296.15","","","","","","","","","2","C m c m","-C 2c 2","63","iron(II, III) oxide","dioxo(oxoferriooxy)iron","","- Fe4 O5 -","- Fe4 O5 -","- Fe16 O20 -","4","0.25","","Ovsyannikov, Sergey; Kar'kin, Alexander Evgenievitch; Korobeinikov, Igor; Morozova, Natalia Vladimirovna; Bykov, Maxim; Bykova, Elena; Wilhelm, Fabrice; Rogalev, Andrei; Dubrovinsky, Leonid","Electronic properties of single-crystalline Fe4O5","Dalton Transactions","2023","","","","","10.1039/D3DT00381G","","","0.71073","MoKα","","0.0321","0.0257","","","0.061","0.0631","","","","","","1.166","","","","has coordinates","281141","2023-02-25","08:40:55",""
"7712411","11.6006","0.0012","29.178","0.003","37.483","0.004","90","","90","","90","","12687","2","291.14","","291.14","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 Co6 N10 O26 -","- C58 H42 Co6 N10 O26 -","- C464 H336 Co48 N80 O208 -","8","1","","Zhang, Wen-Sha; Wang, Guang-Qing; Wang, Yu-Xin; Yang, Yan-Li; Bai, Xue; Cui, Hong; Lu, Ying; Liu, Shuxia","A Multifunctional Cobalt-Organic Framework for Proton Conduction and Selective Sensing of Fe3+ Ions","Dalton Transactions","2023","","","","","10.1039/D3DT00259D","","","0.71073","MoKα","","0.0566","0.0429","","","0.1015","0.1087","","","","","","1.058","","","","has coordinates","281143","2023-02-25","08:42:13",""
"7712412","24.443","0.003","25.297","0.003","18.903","0.003","90","","108.051","0.01","90","","11113","3","120","2","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H130 Ag5 Au4 B P4 S6 -","- C110 H130 Ag5 Au4 B P4 S6 -","- C440 H520 Ag20 Au16 B4 P16 S24 -","4","0.5","","Yan , Xiaoxun; Su, Shangyu; Li, xiaowu; Jin, Shan; Zhu, Manzhou","Insights into the effect of regulation in molecular composition on the properties of AuAg)9 clusters","Dalton Transactions","2023","","","","","10.1039/D3DT00202K","","","1.54186","CuKα","","0.0744","0.065","","","0.1832","0.1916","","","","","","1.06","","","","has coordinates","281144","2023-02-25","08:43:16",""
"7712413","18.3755","0.001","19.6063","0.0011","21.8061","0.0012","103.741","0.004","100.027","0.004","112.795","0.004","6717.4","0.7","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C134.5 H154 Ag2.48 Au6.53 B Cl P4 S6 -","- C134.5 H154 Ag2.475 Au6.525 B Cl P4 S6 -","- C269 H308 Ag4.95 Au13.05 B2 Cl2 P8 S12 -","2","1","","Yan , Xiaoxun; Su, Shangyu; Li, xiaowu; Jin, Shan; Zhu, Manzhou","Insights into the effect of regulation in molecular composition on the properties of AuAg)9 clusters","Dalton Transactions","2023","","","","","10.1039/D3DT00202K","","","1.54186","CuKα","","0.107","0.0906","","","0.2447","0.2632","","","","","","1.045","","","","has coordinates,has disorder","281144","2023-02-25","08:43:20",""
"7712414","14.9548","0.0005","7.7335","0.0003","19.8034","0.0006","90","","102.621","0.003","90","","2234.98","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F6 N2 O4 Zn -","- C22 H22 F6 N2 O4 Zn -","- C88 H88 F24 N8 O16 Zn4 -","4","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54178","CuKα","","0.0732","0.0617","","","0.16","0.1686","","","","","","1.1","","","","has coordinates,has disorder","281145","2023-02-25","08:44:31",""
"7712415","25.8902","0.0007","9.1717","0.0002","26.1158","0.0006","90","","119.476","0.003","90","","5398.7","0.3","100","0.1","100","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C48 H60 F12 N4 O12 Zn2 -","- C48 H60 F12 N4 O12 Zn2 -","- C192 H240 F48 N16 O48 Zn8 -","4","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54178","CuKα","","0.0948","0.0823","","","0.2211","0.235","","","","","","1.07","","","","has coordinates,has disorder","281145","2023-02-25","08:44:32",""
"7712416","8.12372","0.00016","10.6734","0.0002","12.4777","0.0003","64.9809","0.0019","75.1697","0.0017","78.0265","0.0016","941.64","0.04","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","1","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54184","CuKα","","0.0551","0.0538","","","0.1386","0.1397","","","","","","1.051","","","","has coordinates","281145","2023-02-25","08:44:32",""
"7712417","8.1202","0.0005","10.667","0.0005","12.4761","0.0008","64.867","0.006","75.15","0.006","78.068","0.005","939.73","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","1","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54184","CuKα","","0.0392","0.0377","","","0.1027","0.1048","","","","","","1.106","","","","has coordinates","281145","2023-02-25","08:44:32",""
"7712418","8.7181","0.0003","11.4705","0.0006","13.6295","0.0004","81.28","0.003","72.282","0.003","85.815","0.004","1282.78","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H53.5 F12 N4 O10.75 Zn2 -","- C46 H53.5 F12 N4 O10.75 Zn2 -","- C46 H53.5 F12 N4 O10.75 Zn2 -","1","1","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54178","CuKα","","0.0885","0.0732","","","0.1868","0.2058","","","","","","1.015","","","","has coordinates,has disorder","281145","2023-02-25","08:44:32",""
"7712419","8.134","0.0003","10.6803","0.0004","12.4823","0.0005","64.938","0.004","75.12","0.003","78.039","0.003","943.32","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","- C40 H48 F4 N4 O6 Zn2 -","1","0.5","","Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.","Fluorine-based Zn salan complexes","Dalton Transactions","2023","","","","","10.1039/D2DT04082D","","x-ray","1.54184","CuKα","","0.0658","0.0637","","","0.1557","0.1566","","","","","","1.254","","","","has coordinates,has disorder","281145","2023-02-25","08:44:32",""
"7712420","55.0704","0.0004","31.5923","0.0002","26.9571","0.0002","90","","115.835","0.001","90","","42212.5","0.6","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C166 H198 F48 N26 O30 P5 Pd6 S7 -","- C124 H90 F48 N26 O2 P5 Pd6 S2 -","- C992 H720 F384 N208 O16 P40 Pd48 S16 -","8","1","","Wang, Pei-Pei; Tong, Jin; Meng, Cong; Yuan, Qing; Deng, Wei; Yu, Shu-Yan","Self-Assembly of Tripyrazolate-Linked [M6L2] Cages for Selective Sensing of HSO3- and gas SO2 by Turn-on Fluorescence","Dalton Transactions","2023","","","","","10.1039/D3DT00083D","","x-ray","1.54178","CuKα","","0.1395","0.1317","","","0.3211","0.3255","","","","","","1.013","","","","has coordinates,has disorder","281149","2023-02-27","08:27:32",""
"7712421","24.7409","0.0012","15.0833","0.0012","8.7224","0.0006","90","","107.585","0.003","90","","3102.9","0.4","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H18 Mn2 N2 O11 -","- C26 H18 Mn2 N2 O11 -","- C104 H72 Mn8 N8 O44 -","4","0.5","","Xu, Zhen; Zhao, Ya-Yu; Chen, Le; Zhu, Cai-Yong; Li, Peng; Gao, Wei; Li, Ji-Yang; Zhang, Xiu-Mei","Thermally activated bipyridyl-based Mn-MOFs with Lewis acid-base bifunctional sites for highly efficient catalytic cycloaddition of CO<sub>2</sub> with epoxides and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00043e","","","0.71073","MoKα","","0.0338","0.0286","","","0.0859","0.0912","","","","","","1.046","","","","has coordinates","281166","2023-02-28","08:36:12",""
"7712422","10.0184","0.0003","16.7493","0.0004","17.4941","0.0005","90","","106.48","0.003","90","","2814.94","0.14","99.98","0.12","99.98","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(CAAI)BBrMes","","- C29 H42 B Br N2 -","- C29 H42 B Br N2 -","- C116 H168 B4 Br4 N8 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","x-ray","0.71073","MoKα","K-L~2,3~","0.0549","0.0402","","","0.0769","0.0811","","","","","","1.028","","","","has coordinates","281167","2023-02-28","08:40:56",""
"7712423","14.27","0.006","10.149","0.004","14.806","0.006","90","","97.11","0.02","90","","2127.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(CAAI)BCl2","","- C20 H31 B Cl2 N2 -","- C20 H31 B Cl2 N2 -","- C80 H124 B4 Cl8 N8 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","x-ray","0.71073","MoKα","K-L~2,3~","0.0436","0.0375","","","0.0959","0.1004","","","","","","1.031","","","","has coordinates,has disorder","281167","2023-02-28","08:40:57",""
"7712424","17.943","0.01","9.057","0.004","14.529","0.008","90","","105.28","0.03","90","","2278","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(CAAI)BClNMe2","","- C22 H37 B Cl N3 -","- C22 H37 B Cl N3 -","- C88 H148 B4 Cl4 N12 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","0.71073","MoKα","","0.0587","0.0415","","","0.0936","0.1038","","","","","","1.031","","","","has coordinates","281167","2023-02-28","08:40:57",""
"7712425","9.261","0.015","11.923","0.019","20.48","0.03","91.46","0.03","91.08","0.05","96.36","0.03","2246","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(CAAI)2BPh","","- C49.5 H71 B N4 -","- C49.5 H71 B N4 -","- C99 H142 B2 N8 -","2","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","x-ray","0.71073","MoKα","K-L~2,3~","0.0978","0.0565","","","0.1268","0.149","","","","","","1.031","","","","has coordinates,has disorder","281167","2023-02-28","08:40:57",""
"7712426","10.897","0.002","13.45","0.003","20.469","0.004","88.759","0.012","74.992","0.01","82.039","0.007","2869.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(CAAI)B2Mes2","","- C64 H90 B2 N4 -","- C64 H90 B2 N4 -","- C128 H180 B4 N8 -","2","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","0.71073","MoKα","","0.0483","0.0409","","","0.1016","0.1067","","","","","","1.03","","","","has coordinates,has disorder","281167","2023-02-28","08:41:00",""
"7712427","10.834","0.003","16.64","0.005","16.947","0.006","65.006","0.008","89.81","0.008","78.779","0.012","2705.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(CAAI)B(NMe2)BClNMe2","","- C48 H86 B4 Cl2 N8 -","- C48 H86 B4 Cl2 N8 -","- C96 H172 B8 Cl4 N16 -","2","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","0.71073","MoKα","","0.0536","0.0382","","","0.0841","0.0923","","","","","","1.018","","","","has coordinates","281167","2023-02-28","08:41:09",""
"7712428","10.6347","0.0001","16.5638","0.0003","25.4585","0.0003","90","","100.644","0.001","90","","4407.38","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(CAAI)2B2(NMe2)2","","- C44 H74 B2 N6 -","- C44 H74 B2 N6 -","- C176 H296 B8 N24 -","4","0.5","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","x-ray","1.54184","CuKα","K-L~2,3~","0.0592","0.0559","","","0.1487","0.1509","","","","","","1.107","","","","has coordinates,has disorder","281167","2023-02-28","08:41:11",""
"7712429","10.3","0.002","16.861","0.003","16.843","0.005","90","","103.065","0.016","90","","2849.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(CAAI)BClDur","","- C30 H44 B Cl N2 -","- C30 H44 B Cl N2 -","- C120 H176 B4 Cl4 N8 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","0.71073","MoKα","","0.0534","0.0447","","","0.113","0.1182","","","","","","1.053","","","","has coordinates","281167","2023-02-28","08:41:12",""
"7712430","9.5234","0.0001","12.2982","0.0001","33.6499","0.0002","90","","96.859","0.001","90","","3912.89","0.06","100","2","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(CAAI)2BN3","","- C40 H62 B N7 -","- C40 H62 B N7 -","- C160 H248 B4 N28 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","1.54184","CuKα","","0.0395","0.0365","","","0.0941","0.0963","","","","","","1.026","","","","has coordinates","281167","2023-02-28","08:41:12",""
"7712431","9.654","0.003","14.571","0.004","16.429","0.01","65.392","0.011","79.27","0.02","70.736","0.012","1980.3","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(CAAI)2BNMe2","","- C42 H68 B N5 -","- C42 H68 B N5 -","- C84 H136 B2 N10 -","2","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","0.71073","MoKα","","0.0609","0.043","","","0.0948","0.1018","","","","","","1.041","","","","has coordinates","281167","2023-02-28","08:41:12",""
"7712432","9.5374","0.0001","19.8419","0.0002","21.4198","0.0002","90","","97.163","0.001","90","","4021.85","0.07","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(CAAI)2BNCS","","- C41 H62 B N5 S -","- C41 H62 B N5 S -","- C164 H248 B4 N20 S4 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","1.54184","CuKα","","0.0472","0.041","","","0.1025","0.1059","","","","","","1.02","","","","has coordinates,has disorder","281167","2023-02-28","08:41:12",""
"7712433","18.0177","0.0002","9.0881","0.0001","14.5514","0.0002","90","","104.912","0.001","90","","2302.5","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(CAAI)BBrNMe2","","- C22 H37 B Br N3 -","- C22 H37 B Br N3 -","- C88 H148 B4 Br4 N12 -","4","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","x-ray","1.54184","CuKα","K-L~2,3~","0.0475","0.0448","","","0.1227","0.125","","","","","","1.063","","","","has coordinates,has disorder","281167","2023-02-28","08:41:12",""
"7712434","9.5597","0.0001","9.6035","0.0001","21.5694","0.0001","90","","94.28","0.001","90","","1974.69","0.03","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(CAAI)2BBr","","- C40 H62 B Br N4 -","- C40 H62 B Br N4 -","- C80 H124 B2 Br2 N8 -","2","1","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","","1.54184","CuKα","","0.0229","0.0228","","","0.0614","0.0615","","","","","","1.042","","","","has coordinates","281167","2023-02-28","08:41:12",""
"7712435","9.3778","0.0003","13.0392","0.0003","20.8478","0.0006","86.673","0.002","85.097","0.002","75.815","0.002","2460.66","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(CAAI)BBrPh","","- C26 H36 B Br N2 -","- C26 H36 B Br N2 -","- C104 H144 B4 Br4 N8 -","4","2","","Huynh, Silvia; Arrowsmith, Merle; Meier, Lukas; Dietz, Maximilian; Härterich, Marcel; Michel, Maximilian; Gärtner, Annalena; Braunschweig, Holger","Cyclic Alkyl(amino)iminates (CAAIs) as Strong 2σ,4π-Electron Donor Ligands for the Stabilisation of Boranes and Diboranes(4): A Synthetic and Computational Study","Dalton Transactions","2023","","","","","10.1039/D3DT00298E","","x-ray","1.54184","CuKα","K-L~2,3~","0.0884","0.0775","","","0.2353","0.2428","","","","","","1.086","","","","has coordinates","281167","2023-02-28","08:41:12",""
"7712436","11.0302","0.0012","11.8415","0.0014","11.9367","0.0014","89.874","0.004","64.953","0.004","70.96","0.004","1318.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H72 N2 Ni4.2 O12 Pt1.8 -","- C44 H72 N2 Ni4.1872 O12 Pt1.8128 -","- C44 H72 N2 Ni4.1872 O12 Pt1.8128 -","1","0.5","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0469","0.0332","","","0.0724","0.0762","","","","","","1.017","","","","has coordinates,has disorder","283328","2023-05-05","02:30:40",""
"7712437","21.4147","0.0014","13.4345","0.0008","24.8815","0.0015","90","","109.099","0.002","90","","6764.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H80 N4 Ni3.72 O21 Pt8.28 -","- C53 H80 N4 Ni3.719 O21 Pt8.281 -","- C212 H320 N16 Ni14.876 O84 Pt33.124 -","4","0.5","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0569","0.0498","","","0.0941","0.0962","","","","","","1.237","","","","has coordinates,has disorder","283328","2023-05-05","02:30:43",""
"7712438","17.067","0.004","20.438","0.005","16.797","0.004","90","","90","","90","","5859","2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C90 H150 N6 Ni3.11 O22 Pt15.89 -","- C90 H150 N6 Ni3.224 O22 Pt15.776 -","- C180 H300 N12 Ni6.448 O44 Pt31.552 -","2","0.25","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.1777","0.1507","","","0.3959","0.4267","","","","","","1.128","","","","has coordinates","283328","2023-05-05","02:30:46",""
"7712439","25.21","0.002","13.3089","0.0011","26.112","0.002","90","","105.662","0.003","90","","8435.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H92 N4 Ni2.23 O24 Pt16.77 -","- C60 H92 N4 Ni2.228 O24 Pt16.772 -","- C240 H368 N16 Ni8.912 O96 Pt67.088 -","4","0.5","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.1044","0.0878","","","0.2191","0.2307","","","","","","1.174","","","","has coordinates,has disorder","283328","2023-05-05","02:30:57",""
"7712440","17.409","0.005","25.656","0.007","24.249","0.006","90","","90","","90","","10831","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C91 H156 N4 Ni5.82 O23 Pt6.18 -","- C91 H156 N4 Ni5.818 O23 Pt6.182 -","- C364 H624 N16 Ni23.272 O92 Pt24.728 -","4","0.5","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.1237","0.0967","","","0.2399","0.2643","","","","","","1.125","","","","has coordinates,has disorder","283328","2023-05-05","02:31:00",""
"7712441","16.2307","0.0019","16.2307","0.0019","36.437","0.005","90","","90","","120","","8312.8","1.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C73 H78 N5 Ni23.3 O47 Pt14.7 -","- C73 H77.9994 N5 Ni23.304 O47 Pt14.696 -","- C219 H233.998 N15 Ni69.912 O141 Pt44.088 -","3","0.166667","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0814","0.0446","","","0.1151","0.1287","","","","","","1.05","","","","has coordinates,has disorder","283328","2023-05-05","02:31:10",""
"7712442","11.63227","0.0001","13.80526","0.0001","16.19706","0.00013","85.2923","0.0006","87.1337","0.0007","85.6362","0.0007","2582.23","0.04","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H46 F6 Ir N7 O4 S2 -","- C62 H46 F6 Ir N7 O4 S2 -","- C124 H92 F12 Ir2 N14 O8 S4 -","2","1","","Gitlina, Anastasia Yu; Fadaei-Tirani, Farzaneh; Severin, Kay","The acid-mediated isomerization of iridium(III) complexes with cyclometalated NHC ligands: kinetic <i>vs.</i> thermodynamic control.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2833","2837","10.1039/d2dt04039e","","x-ray","0.71073","MoKα","","0.0373","0.0288","","","0.059","0.0608","","","","","","1.032","","","","has coordinates","281195","2023-03-01","08:54:20",""
"7712443","9.2601","0.0008","37.467","0.003","16.6652","0.0012","90","","102.416","0.009","90","","5646.7","0.8","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 F6 Ir N7 O4 -","- C52 H50 F6 Ir N7 O4 -","- C208 H200 F24 Ir4 N28 O16 -","4","1","","Gitlina, Anastasia Yu; Fadaei-Tirani, Farzaneh; Severin, Kay","The acid-mediated isomerization of iridium(III) complexes with cyclometalated NHC ligands: kinetic <i>vs.</i> thermodynamic control.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2833","2837","10.1039/d2dt04039e","","x-ray","1.54184","CuKα","","0.1429","0.1021","","","0.2574","0.2932","","","","","","1.114","","","","has coordinates","281195","2023-03-01","08:54:21",""
"7712444","12.1701","0.0002","13.1905","0.0002","13.4573","0.0003","116.757","0.002","91.744","0.001","98.84","0.001","1893.88","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cl2 N6 O15 Ru2 -","- C29 H34 Cl2 N6 O15 Ru2 -","- C58 H68 Cl4 N12 O30 Ru4 -","2","1","","Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","Ru(IV)-Ru(IV) complexes having the doubly oxido-bridged core with a bridging carbonato or hydrogencarbonato ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2863","2871","10.1039/d2dt04080h","","x-ray","1.54184","CuKα","","0.0459","0.0404","","","0.1153","0.1198","","","","","","1.071","","","","has coordinates","281196","2023-03-01","08:55:20",""
"7712445","12.5857","0.0001","13.6555","0.0001","13.973","0.0001","79.768","0.001","81.34","0.001","82.229","0.001","2321.76","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl4 N6 O22 Ru2 -","- C29 H35 Cl4 N6 O22 Ru2 -","- C58 H70 Cl8 N12 O44 Ru4 -","2","1","","Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","Ru(IV)-Ru(IV) complexes having the doubly oxido-bridged core with a bridging carbonato or hydrogencarbonato ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2863","2871","10.1039/d2dt04080h","","","1.54184","CuKα","","0.0435","0.0398","","","0.1149","0.1183","","","","","","1.076","","","","has coordinates","281196","2023-03-01","08:55:21",""
"7712446","9.3802","0.0011","9.4495","0.0011","10.9044","0.0013","66.939","0.004","78.797","0.004","75.715","0.004","856.63","0.18","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C15 H28.36 B0.84 Br0.16 N Ni O P -","- C15 H28.3548 B0.8387 Br0.1613 N Ni O P -","- C30 H56.7096 B1.6774 Br0.3226 N2 Ni2 O2 P2 -","2","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.0308","0.0278","","","0.069","0.071","","","","","","1.048","","","","has coordinates,has disorder","282621","2023-04-13","12:20:55",""
"7712447","7.7205","0.0004","9.083","0.0005","14.8641","0.0008","76.764","0.001","81.737","0.001","66.249","0.001","927.17","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 N Ni O3 P -","- C17 H28 N Ni O3 P -","- C34 H56 N2 Ni2 O6 P2 -","2","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.0489","0.0413","","","0.0915","0.0956","","","","","","1.034","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712448","9.3433","0.001","9.4438","0.001","10.8402","0.0011","66.371","0.003","78.72","0.003","75.511","0.003","843.52","0.15","149.99","","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C15.9 H27.72 Br0.11 N Ni O P -","- C15.905 H27.715 Br0.104 N Ni O P -","- C31.81 H55.43 Br0.208 N2 Ni2 O2 P2 -","2","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.0333","0.0288","","","0.0685","0.0717","","","","","","1.072","","","","has coordinates,has disorder","282621","2023-04-13","12:20:55",""
"7712449","9.1019","0.0004","9.5253","0.0004","13.2196","0.0005","109.051","0.001","94.18","0.001","102.817","0.001","1043.14","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H30 N Ni O P S -","- C21 H30 N Ni O P S -","- C42 H60 N2 Ni2 O2 P2 S2 -","2","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.034","0.0295","","","0.0773","0.0797","","","","","","1.059","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712450","7.805","0.0002","9.9384","0.0003","26.7534","0.0008","90","","96.542","0.001","90","","2061.73","0.1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 F3 N Ni O4 P S -","- C16 H25 F3 N Ni O4 P S -","- C64 H100 F12 N4 Ni4 O16 P4 S4 -","4","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0702","0.0746","","","","","","1.024","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712451","11.2003","0.0009","9.4423","0.0008","16.3874","0.0013","90","","101.156","0.003","90","","1700.3","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 N2 Ni O4 P -","- C15 H25 N2 Ni O4 P -","- C60 H100 N8 Ni4 O16 P4 -","4","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.1001","0.0613","","","0.0979","0.1084","","","","","","1.054","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712452","14.8863","0.0007","14.2089","0.0007","19.652","0.001","90","","90","","90","","4156.8","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H33 Br N Ni O P -","- C19 H33 Br N Ni O P -","- C152 H264 Br8 N8 Ni8 O8 P8 -","8","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.0771","0.0461","","","0.0884","0.0993","","","","","","1.027","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712453","7.9892","0.0005","15.5225","0.0009","8.7466","0.0005","90","","111.496","0.001","90","","1009.24","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Au2 Fe N8 O2 -","- C14 H12 Au2 Fe N8 O2 -","- C28 H24 Au4 Fe2 N16 O4 -","2","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0372","0.0263","","","0.0586","0.0621","","","","","","1.063","","","","has coordinates","281198","2023-03-01","09:02:56",""
"7712454","7.8105","0.0004","16.1809","0.0008","8.4579","0.0004","90","","110.54","0.001","90","","1000.96","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag2 Fe N8 O2 -","- C14 H12 Ag2 Fe N8 O2 -","- C28 H24 Ag4 Fe2 N16 O4 -","2","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.026","0.023","","","0.056","0.0575","","","","","","1.064","","","","has coordinates","281198","2023-03-01","09:02:56",""
"7712455","7.6006","0.0003","16.5407","0.0007","8.1805","0.0003","90","","110.228","0.001","90","","965.02","0.07","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag2 Fe N8 O2 -","- C14 H12 Ag2 Fe N8 O2 -","- C28 H24 Ag4 Fe2 N16 O4 -","2","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0164","0.0158","","","0.0391","0.0394","","","","","","1.155","","","","has coordinates","281198","2023-03-01","09:02:56",""
"7712456","7.9046","0.0008","15.6559","0.0015","8.5964","0.0008","90","","112.538","0.001","90","","982.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Au2 Fe N8 O2 -","- C14 H12 Au2 Fe N8 O2 -","- C28 H24 Au4 Fe2 N16 O4 -","2","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0238","0.0194","","","0.0406","0.042","","","","","","1.048","","","","has coordinates","281198","2023-03-01","09:02:57",""
"7712457","15.7353","0.0017","28.498","0.003","21.353","0.002","90","","110.685","0.002","90","","8958","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H54 Ag8 Fe4 N34 O9 -","- C61 H54 Ag8 Fe4 N34 O9 -","- C244 H216 Ag32 Fe16 N136 O36 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0966","0.0491","","","0.132","0.1667","","","","","","0.998","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712458","15.588","0.003","28.221","0.005","21.12","0.004","90","","111.301","0.003","90","","8656","3","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H54 Ag8 Fe4 N34 O9 -","- C61 H54 Ag8 Fe4 N34 O9 -","- C244 H216 Ag32 Fe16 N136 O36 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.1113","0.0602","","","0.1513","0.1856","","","","","","1.021","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712459","15.4985","0.0018","27.743","0.003","20.928","0.003","90","","112.563","0.002","90","","8309.8","1.8","87","2","87","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H54 Ag8 Fe4 N34 O9 -","- C61 H54 Ag8 Fe4 N34 O9 -","- C244 H216 Ag32 Fe16 N136 O36 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0994","0.0564","","","0.1456","0.1792","","","","","","1.098","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712460","29.201","0.004","10.9601","0.0014","14.0059","0.0017","90","","90.275","0.002","90","","4482.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au4 Fe2 N17 O5 -","- C30.796 H27.728 Au4 Fe2 N17.02 O4.932 -","- C123.184 H110.912 Au16 Fe8 N68.08 O19.728 -","4","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0649","0.046","","","0.1218","0.1337","","","","","","0.873","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712461","28.896","0.006","10.623","0.003","14.044","0.003","90","","90.033","0.004","90","","4311","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Ag4 Fe2 N17 O5 -","- C30.916 H27.888 Ag4 Fe2 N16.972 O4.972 -","- C123.664 H111.552 Ag16 Fe8 N67.888 O19.888 -","4","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0449","0.0363","","","0.1008","0.1138","","","","","","0.817","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712462","28.654","0.007","10.772","0.003","13.756","0.003","90","","90.172","0.004","90","","4245.9","1.8","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au4 Fe2 N17 O5 -","- C30.778 H27.704 Au4 Fe2 N16.926 O4.926 -","- C123.112 H110.816 Au16 Fe8 N67.704 O19.704 -","4","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0477","0.0467","","","0.137","0.138","","","","","","1.154","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712463","15.575","0.005","27.881","0.009","21.08","0.009","90","","112.615","0.005","90","","8450","5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H54 Ag8 Fe4 N34 O9 -","- C61 H54 Ag8 Fe4 N34 O9 -","- C244 H216 Ag32 Fe16 N136 O36 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0972","0.0629","","","0.1609","0.1905","","","","","","1.134","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712464","29.288","0.006","10.788","0.002","14.325","0.003","90","","90.039","0.004","90","","4526.1","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Ag4 Fe2 N17 O5 -","- C30.484 H27.312 Ag4 Fe2 N16.828 O4.828 -","- C121.936 H109.248 Ag16 Fe8 N67.312 O19.312 -","4","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0617","0.041","","","0.114","0.1314","","","","","","0.836","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712465","28.882","0.005","10.5619","0.0019","13.999","0.003","90","","90.02","0.003","90","","4270.4","1.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Ag4 Fe2 N17 O5 -","- C30.874 H27.832 Ag4 Fe2 N16.958 O4.958 -","- C123.496 H111.328 Ag16 Fe8 N67.832 O19.832 -","4","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Guest-triggered ""Soma-Iwamoto-type"" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2571","2579","10.1039/d2dt03716e","","","0.71073","MoKα","","0.0761","0.0643","","","0.2263","0.2357","","","","","","1.665","","","","has coordinates,has disorder","281198","2023-03-01","09:02:57",""
"7712466","18.5634","0.0003","24.5535","0.0004","22.3642","0.0004","90","","107.018","0.002","90","","9747.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 N8 Zn3 -","- C54 H50 N8 Zn3 -","- C432 H400 N64 Zn24 -","8","2","","Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz","Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents","Dalton Transactions","2023","52","9","2712","2721","10.1039/D2DT03722J","","","0.71073","MoKα","","0.064","0.0407","","","0.0763","0.0844","","","","","","1.044","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712467","19.5833","0.0003","19.5833","0.0003","12.0916","0.0003","90","","90","","90","","4637.2","0.15","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C44 H64 N8 Zn4 -","- C44 H64 N8 Zn4 -","- C176 H256 N32 Zn16 -","4","0.25","","Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz","Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents","Dalton Transactions","2023","52","9","2712","2721","10.1039/D2DT03722J","","","0.71073","MoKα","","0.036","0.0286","","","0.0651","0.0682","","","","","","1.064","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712468","15.2257","0.0002","22.1226","0.0002","19.5545","0.0002","90","","104.437","0.001","90","","6378.59","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H40 N4 Zn2 -","- C34 H40 N4 Zn2 -","- C272 H320 N32 Zn16 -","8","4","","Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz","Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents","Dalton Transactions","2023","52","9","2712","2721","10.1039/D2DT03722J","","","0.71073","MoKα","","0.0469","0.0434","","","0.1111","0.1148","","","","","","1.025","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712469","11.73","0.0002","13.406","0.0003","31.694","0.0007","90","","100.505","0.001","90","","4900.42","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 N8 Zn3 -","- C56 H54 N8 Zn3 -","- C224 H216 N32 Zn12 -","4","1","","Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz","Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents","Dalton Transactions","2023","52","9","2712","2721","10.1039/D2DT03722J","","","0.71073","MoKα","","0.0789","0.0474","","","0.0883","0.0957","","","","","","1.039","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712470","8.9021","0.0005","12.8588","0.0005","13.7649","0.0005","91.567","0.002","97.803","0.001","108.514","0.002","1476.12","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl5 N2 O3 P Sn2 -","- C22 H30 Cl5 N2 O3 P Sn2 -","- C44 H60 Cl10 N4 O6 P2 Sn4 -","2","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0751","0.0503","","","0.127","0.1441","","","","","","1.007","","","","has coordinates,has disorder","282621","2023-04-13","12:20:55",""
"7712471","8.8688","0.0011","12.8162","0.0016","15.329","0.002","76.435","0.006","85.256","0.006","73.499","0.006","1623.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H31 Cl4 N2 O2 P Sn2 -","- C26 H31 Cl4 N2 O2 P Sn2 -","- C52 H62 Cl8 N4 O4 P2 Sn4 -","2","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0911","0.0673","","","0.1499","0.1585","","","","","","1.15","","","","has coordinates,has disorder","282621","2023-04-13","12:20:55",""
"7712472","12.0479","0.0006","12.0989","0.0006","13.7729","0.0007","87.484","0.002","68.313","0.002","78.076","0.002","1824.1","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H35 Cl6 N2 O P Sn2 -","- C32 H35 Cl6 N2 O P Sn2 -","- C64 H70 Cl12 N4 O2 P2 Sn4 -","2","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0393","0.0269","","","0.0563","0.0613","","","","","","1.058","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712473","8.6557","0.0005","13.0223","0.0007","16.274","0.0008","73.94","0.002","82.797","0.002","72.263","0.002","1677.28","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Cl4 N2 O P Sn2 -","- C30 H31 Cl4 N2 O P Sn2 -","- C60 H62 Cl8 N4 O2 P2 Sn4 -","2","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0316","0.0235","","","0.0544","0.0575","","","","","","1.074","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712474","24.7026","0.001","16.5078","0.0006","18.7687","0.0007","90","","90","","90","","7653.6","0.5","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C30 H46 F6 N2 O10 P S2 Sn -","- C27 H39 F6 N2 O10 P S2 Sn -","- C216 H312 F48 N16 O80 P8 S16 Sn8 -","8","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0722","0.0386","","","0.0813","0.0886","","","","","","1.051","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712475","8.6259","0.0004","12.4009","0.0005","17.205","0.0008","81.057","0.002","86.64","0.002","75.835","0.002","1762.34","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 Cl6 N2 O2 P Sn2 -","- C28 H35 Cl6 N2 O2 P Sn2 -","- C56 H70 Cl12 N4 O4 P2 Sn4 -","2","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0605","0.0515","","","0.135","0.1411","","","","","","1.063","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712476","13.2768","0.0004","15.5938","0.0006","15.9485","0.0006","85.119","0.002","79.741","0.001","77.525","0.001","3168.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H60 Cl6 N4 O4 P2 Sn4 -","- C55 H60 Cl6 N4 O4 P2 Sn4 -","- C110 H120 Cl12 N8 O8 P4 Sn8 -","2","1","","Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Syková, Miriam; Dostál, Libor; Stalmans, Jesse; R°užičková, Zdeňka; Jurkschat, Klaus; Jambor, Roman","Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability","Dalton Transactions","2023","52","9","2749","2761","10.1039/D2DT03563D","","","0.71073","MoKα","","0.0406","0.0264","","","0.0467","0.0508","","","","","","1.05","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712477","10.8964","0.0004","10.9483","0.0005","23.1815","0.0011","86.695","0.004","83.153","0.003","80.496","0.003","2706","0.2","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H72 As2 Cl4 O4 Pd -","- C53 H72 As2 Cl4 O4 Pd -","- C106 H144 As4 Cl8 O8 Pd2 -","2","1","","Sumida, Akifumi; Ogawa, Kenta; Imoto, Hiroaki; Naka, Kensuke","Steric and electronic effects of arsa-Buchwald ligands on Suzuki-Miyaura coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2838","2844","10.1039/d2dt04139a","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0888","0.0925","","","","","","1.144","","","","has coordinates","281202","2023-03-01","09:13:48",""
"7712478","11.4318","0.0008","11.5359","0.0005","11.5689","0.0006","83.456","0.004","63.747","0.006","80.103","0.005","1346.68","0.15","77","","77","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 As2 Cl6 O4 Pd -","- C50 H66 As2 Cl6 O4 Pd -","- C50 H66 As2 Cl6 O4 Pd -","1","0.5","","Sumida, Akifumi; Ogawa, Kenta; Imoto, Hiroaki; Naka, Kensuke","Steric and electronic effects of arsa-Buchwald ligands on Suzuki-Miyaura coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2838","2844","10.1039/d2dt04139a","","x-ray","0.71073","MoKα","","0.0513","0.0332","","","0.0658","0.0726","","","","","","1.016","","","","has coordinates","281202","2023-03-01","09:14:03",""
"7712479","10.0282","0.0005","19.3323","0.0009","19.4044","0.001","90","","101.79","0.002","90","","3682.5","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H53 Dy N4 O Si3 -","- C34 H53 Dy N4 O Si3 -","- C136 H212 Dy4 N16 O4 Si12 -","4","2","","Guo, Yan; Liu, Kang; Qin, Yuanyuan; Wu, Qunyan; Hu, Kongqiu; Mei, Lei; Chai, Zhifang; Liu, Xiangyu; Yu, Jipan; Shi, Weiqun","Role of molecular symmetry in the magnetic relaxation dynamics of five-coordinate Dy(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2703","2711","10.1039/d3dt00095h","","","0.71073","MoKα","","0.0329","0.0265","","","0.0456","0.0473","","","","","","1.002","","","","has coordinates,has disorder","281203","2023-03-01","09:16:49",""
"7712480","15.7628","0.0005","12.1123","0.0004","19.7909","0.0007","90","","91.746","0.002","90","","3776.8","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Dy N5 Si3 -","- C35 H50 Dy N5 Si3 -","- C140 H200 Dy4 N20 Si12 -","4","1","","Guo, Yan; Liu, Kang; Qin, Yuanyuan; Wu, Qunyan; Hu, Kongqiu; Mei, Lei; Chai, Zhifang; Liu, Xiangyu; Yu, Jipan; Shi, Weiqun","Role of molecular symmetry in the magnetic relaxation dynamics of five-coordinate Dy(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2703","2711","10.1039/d3dt00095h","","","1.54178","CuKα","","0.0394","0.0291","","","0.0665","0.0716","","","","","","1.025","","","","has coordinates","281203","2023-03-01","09:16:53",""
"7712481","10.176","0.002","19.387","0.006","20.093","0.005","90","","102.988","0.009","90","","3862.6","1.7","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 Dy N5 O Si3 -","- C33 H54 Dy N5 O Si3 -","- C132 H216 Dy4 N20 O4 Si12 -","4","1","","Guo, Yan; Liu, Kang; Qin, Yuanyuan; Wu, Qunyan; Hu, Kongqiu; Mei, Lei; Chai, Zhifang; Liu, Xiangyu; Yu, Jipan; Shi, Weiqun","Role of molecular symmetry in the magnetic relaxation dynamics of five-coordinate Dy(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2703","2711","10.1039/d3dt00095h","","","0.71073","MoKα","","0.0255","0.0211","","","0.0443","0.0459","","","","","","1.078","","","","has coordinates","281203","2023-03-01","09:17:01",""
"7712482","3.8497","0.0003","7.3502","0.0005","32.611","0.003","90","","90.006","0.003","90","","922.76","0.13","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cs2 O22 W7 -","- Cs2 O22 W7 -","- Cs4 O44 W14 -","2","1","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.142","0.098","","","0.207","0.2376","","","","","","0.998","","","","has coordinates","281204","2023-03-01","09:19:12",""
"7712483","3.8318","0.0005","7.3295","0.0012","32.06","0.004","90","","90.051","0.006","90","","900.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- O22 Rb2 W7 -","- O22 Rb2 W7 -","- O44 Rb4 W14 -","2","1","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.104","0.0863","","","0.2131","0.2295","","","","","","1.074","","","","has coordinates","281204","2023-03-01","09:19:16",""
"7712484","3.8184","0.0005","7.2998","0.0009","25.44","0.003","90","","90.026","0.007","90","","709.1","0.15","298","2","298","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- K4 O35 W11 -","- K4.002 O35 W11 -","- K4.002 O35 W11 -","1","0.5","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.0652","0.0632","","","0.1577","0.1599","","","","","","1.082","","","","has coordinates","281204","2023-03-01","09:19:19",""
"7712485","7.3142","0.0005","3.8123","0.0003","31.947","0.002","90","","96.472","0.003","90","","885.13","0.11","298","2","298","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- K2 O22 W7 -","- K2.0005 O22 W7 -","- K4.001 O44 W14 -","2","1","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.0567","0.0548","","","0.1346","0.136","","","","","","1.087","","","","has coordinates","281204","2023-03-01","09:19:21",""
"7712486","7.3357","0.0005","3.8684","0.0003","26.4516","0.0018","90","","97.962","0.003","90","","743.39","0.09","293","2","293","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- Cs4 O35 W11 -","- Cs3.998 O35 W11 -","- Cs3.998 O35 W11 -","1","0.5","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.055","0.0513","","","0.126","0.1289","","","","","","1.044","","","","has coordinates","281204","2023-03-01","09:19:21",""
"7712487","7.3114","0.0008","3.8154","0.0004","25.877","0.003","90","","98.109","0.003","90","","714.65","0.14","293","2","293","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- O35 Tl4 W11 -","- O35 Tl4 W11 -","- O35 Tl4 W11 -","1","0.5","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.0534","0.0527","","","0.1368","0.1378","","","","","","1.08","","","","has coordinates","281204","2023-03-01","09:19:21",""
"7712488","3.8369","0.0003","7.3201","0.0005","25.6712","0.0016","90","","90.006","0.003","90","","721.01","0.09","259","2","259","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- O35 Rb4 W11 -","- O35 Rb4 W11 -","- O35 Rb4 W11 -","1","0.5","","Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V.","Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2770","2785","10.1039/d2dt03895a","","","0.71073","MoKα","","0.0622","0.0613","","","0.172","0.1727","","","","","","1.211","","","","has coordinates","281204","2023-03-01","09:19:22",""
"7712489","25.8439","0.0002","10.5505","0.0001","28.3697","0.0002","90","","101.678","0.001","90","","7575.34","0.11","123","2","123","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C91 H85 Cl3 N4 O2 -","- C91 H85 Cl3 N4 O2 -","- C364 H340 Cl12 N16 O8 -","4","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","1.54184","CuKα","","0.0529","0.0513","","","0.1285","0.1295","","","","","","1.045","","","","has coordinates,has disorder","281243","2023-03-02","08:43:10",""
"7712490","16.06","0.0014","15.5021","0.0011","18.4978","0.0017","90","","112.814","0.011","90","","4245","0.7","123","2","123.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Al Cl2 N2 O -","- C23 H21 Al Cl2 N2 O -","- C184 H168 Al8 Cl16 N16 O8 -","8","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","0.71073","MoKα","","0.1066","0.0688","","","0.1395","0.155","","","","","","1.041","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712491","8.0568","0.0001","9.7524","0.0002","12.7427","0.0002","73.172","0.001","75.07","0.001","72.673","0.002","898.63","0.03","123","2","123.15","","","","","","","","","6","P 1","P 1","1","","","","- C18 H19 Al Cl2 N2 O -","- C18 H19 Al Cl2 N2 O -","- C36 H38 Al2 Cl4 N4 O2 -","2","2","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","0.71073","MoKα","","0.0304","0.0277","","","0.063","0.0642","","","","","","1.063","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712492","10.0591","0.0001","10.2551","0.0002","12.5367","0.0002","113.677","0.002","95.189","0.001","102.207","0.001","1135.18","0.04","123","0.1","123","0.1","","","","","","","","7","P 1","P 1","1","","","","- C54 H51 Al Cl2 F2 N2 O -","- C54 H51 Al Cl2 F2 N2 O -","- C54 H51 Al Cl2 F2 N2 O -","1","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","1.54184","CuKα","","0.0306","0.0299","","","0.0793","0.0799","","","","","","1.086","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712493","10.4019","0.0003","13.797","0.0003","15.2529","0.0004","66.674","0.002","77.295","0.002","77.259","0.002","1939","0.09","122.99","0.1","293","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H48 N2 O -","- C48 H48 N2 O -","- C96 H96 N4 O2 -","2","2","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","1.54184","CuKα","","0.0654","0.058","","","0.1528","0.1656","","","","","","1.049","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712494","12.7756","0.0002","9.9253","0.0002","30.1239","0.0005","90","","98.056","0.002","90","","3782.07","0.12","123","2","123.15","","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C45 H40 Al Cl2 N2 O -","- C45 H40 Al Cl2 N2 O -","- C180 H160 Al4 Cl8 N8 O4 -","4","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","0.71073","MoKα","","0.0371","0.0329","","","0.0824","0.0845","","","","","","1.052","","","","has coordinates,has disorder","281243","2023-03-02","08:43:11",""
"7712495","10.5622","0.0001","10.5622","0.0001","37.6815","0.0003","90","","90","","120","","3640.55","0.06","123","0.1","123","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C28 H32 N2 O -","- C28 H32 N2 O -","- C168 H192 N12 O6 -","6","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","1.54184","CuKα","","0.0347","0.034","","","0.0894","0.09","","","","","","1.046","","","","has coordinates","281243","2023-03-02","08:43:12",""
"7712496","15.9991","0.0002","10.0533","0.0001","19.1215","0.0002","90","","112.015","0.002","90","","2851.32","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H72 N4 O2 -","- C68 H72 N4 O2 -","- C136 H144 N8 O4 -","2","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","1.54184","CuKα","","0.0529","0.0498","","","0.134","0.1368","","","","","","1.062","","","","has coordinates","281243","2023-03-02","08:43:12",""
"7712497","15.237","0.0002","17.2186","0.0002","15.4659","0.0002","90","","105.529","0.002","90","","3909.51","0.09","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H43 Al Cl2 N2 O -","- C46 H43 Al Cl2 N2 O -","- C184 H172 Al4 Cl8 N8 O4 -","4","2","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","0.71073","MoKα","","0.0382","0.0325","","","0.0812","0.0832","","","","","","1.09","","","","has coordinates,has disorder","281243","2023-03-02","08:43:12",""
"7712498","12.9914","0.0006","17.0329","0.0008","18.9494","0.0008","63.776","0.001","84.27","0.002","86.755","0.002","3742.4","0.3","120.97","","120.97","","","","","","","","","6","P -1","-P 1","2","","","","- C81.76 H71.53 Cl3.53 Fe N10 O11 -","- C80.764 H67.528 Cl3.528 Fe N10 O10 -","- C161.528 H135.056 Cl7.056 Fe2 N20 O20 -","2","1","","Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao","Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen","Dalton Transactions","2023","","","","","10.1039/D2DT04130H","","","0.71073","MoKα","","0.0705","0.0524","","","0.1288","0.1401","","","","","","1.027","","","","has coordinates","281274","2023-03-03","08:27:06",""
"7712499","13.064","0.004","17.158","0.006","19.208","0.006","63.673","0.01","84.103","0.012","86.368","0.012","3838","2","275.03","","275.03","","","","","","","","","8","P -1","-P 1","2","","3-275","","- C81.66 H71.32 B2 Cl1.32 F8 Fe N10 O3 -","- C80.661 H67.322 B2 Cl1.322 F8 Fe N10 O2 -","- C161.322 H134.644 B4 Cl2.644 F16 Fe2 N20 O4 -","2","1","","Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao","Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen","Dalton Transactions","2023","","","","","10.1039/D2DT04130H","","","0.71073","MoKα","","0.1057","0.0652","","","0.1729","0.1986","","","","","","1.026","","","","has coordinates,has disorder","281274","2023-03-03","08:27:11",""
"7712500","12.8968","0.0007","16.9841","0.0009","19.0169","0.0011","63.584","0.002","83.769","0.002","86.568","0.002","3708.2","0.4","120.01","","120.01","","","","","","","","","8","P -1","-P 1","2","","3-120","","- C81.65 H71.31 B2 Cl1.31 F8 Fe N10 O3 -","- C80.654 H67.308 B2 Cl1.308 F8 Fe N10 O2 -","- C161.308 H134.616 B4 Cl2.616 F16 Fe2 N20 O4 -","2","1","","Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao","Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen","Dalton Transactions","2023","","","","","10.1039/D2DT04130H","","","0.71073","MoKα","","0.1075","0.0664","","","0.17","0.1931","","","","","","1.049","","","","has coordinates,has disorder","281274","2023-03-03","08:27:11",""
"7712501","13.207","0.003","17.273","0.003","19.209","0.003","63.904","0.005","84.196","0.006","86.212","0.007","3914","1.3","273.99","","273.99","","","","","","","","","6","P -1","-P 1","2","","","","- C81.74 H71.47 Cl3.47 Fe N10 O11 -","- C80.737 H67.474 Cl3.474 Fe N10 O10 -","- C161.474 H134.948 Cl6.948 Fe2 N20 O20 -","2","1","","Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao","Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen","Dalton Transactions","2023","","","","","10.1039/D2DT04130H","","","0.71073","MoKα","","0.0946","0.062","","","0.1611","0.1829","","","","","","1.031","","","","has coordinates","281274","2023-03-03","08:27:11",""
"7712502","14.5133","0.0019","23.24","0.004","24.914","0.004","105.49","0.006","101.434","0.006","101.383","0.005","7653","2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C80.88 H63.75 Cl7.75 Fe N10 O8 -","- C80.875 H63.75 Cl7.75 Fe N10 O8 -","- C323.5 H255 Cl31 Fe4 N40 O32 -","4","2","","Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao","Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen","Dalton Transactions","2023","","","","","10.1039/D2DT04130H","","","0.71073","MoKα","","0.0716","0.0567","","","0.1439","0.1552","","","","","","1.038","","","","has coordinates,has disorder","281274","2023-03-03","08:27:11",""
"7712503","18.1464","0.0004","28.9479","0.0007","16.427","0.0004","90","","90","","90","","8629.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C120 H256 Cu2 F12 N4 O119 P2 -","- C120 H186 Cu2 F12 N4 O119 P2 -","- C240 H372 Cu4 F24 N8 O238 P4 -","2","0.5","","Hamaguchi, Tomohiko; Ishikawa, Ryuta; Mishima, Akio; Hayami, Shinya; Ohba, Masaaki; Satoh, Minoru; Kawata, Satoshi","Structure and modified property of an inclusion complex of self-dimerised Cu(II) complex in γ-cyclodextrines","Dalton Transactions","2023","","","","","10.1039/D3DT00176H","","","0.71073","MoKα","","0.0895","0.0798","","","0.2211","0.234","","","","","","1.044","","","","has coordinates,has disorder","281275","2023-03-03","08:28:19",""
"7712504","21.4008","0.0016","12.91","0.001","23.69","0.0018","90","","106.695","0.001","90","","6269.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni2(m-dppm)2(m-CN-Xylyl)(m-CN-Xylyl)2","(μ~2~-Xylylisocianide)bis(Xylylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel","","- C77 H71 N3 Ni2 P4 -","- C77 H71 N3 Ni2 P4 -","- C308 H284 N12 Ni8 P16 -","4","0.5","","Hill, Anthony; Frogley, Benjamin","Synthesis and reactivity of 9,10-bis(4-trimethylsilylethynylbuta-1,3-diynyl)anthracene derived chromophores","Dalton Transactions","2023","","","","","10.1039/D3DT00147D","","","0.71073","MoKα","","0.0429","0.036","","","0.0918","0.0962","","","","","","1.019","","","","has coordinates","281296","2023-03-04","08:45:39",""
"7712505","17.4284","0.0009","9.5427","0.0004","26.2924","0.0016","90","","94.157","0.005","90","","4361.3","0.4","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H26 Co4 O12 Si2 -","- C40 H26 Co4 O12 Si2 -","- C160 H104 Co16 O48 Si8 -","4","0.5","","Hill, Anthony; Frogley, Benjamin","Synthesis and reactivity of 9,10-bis(4-trimethylsilylethynylbuta-1,3-diynyl)anthracene derived chromophores","Dalton Transactions","2023","","","","","10.1039/D3DT00147D","","","1.54184","CuKα","","0.062","0.0463","","","0.1188","0.1289","","","","","","1.023","","","","has coordinates","281296","2023-03-04","08:45:40",""
"7712506","15.9429","0.0008","6.0099","0.0003","18.4308","0.0009","90","","93.165","0.003","90","","1763.26","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl2 Cu N6 O8 -","- C10 H14 Cl2 Cu N6 O8 -","- C40 H56 Cl8 Cu4 N24 O32 -","4","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0373","0.0337","","","0.075","0.0774","","","","","","1.029","","","","has coordinates","281297","2023-03-04","08:48:57",""
"7712507","7.0614","0.0003","15.8795","0.0006","8.9357","0.0003","90","","108.176","0.0019","90","","951.98","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl2 Cu N6 O8 -","- C12 H18 Cl2 Cu N6 O8 -","- C24 H36 Cl4 Cu2 N12 O16 -","2","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0343","0.0306","","","0.0587","0.0598","","","","","","1.479","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712508","15.5827","0.0007","5.9982","0.0003","18.2326","0.0008","90","","92.341","0.003","90","","1702.75","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 B2 Cu F8 N6 -","- C10 H14 B2 Cu F8 N6 -","- C40 H56 B8 Cu4 F32 N24 -","4","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0457","0.0344","","","0.0862","0.0941","","","","","","0.869","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712509","6.6757","0.0004","14.7202","0.0008","14.3589","0.0008","90","","93.853","0.003","90","","1407.83","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 B2 Cl2 Cu2 F8 N10 -","- C18 H26 B2 Cl2 Cu2 F8 N10 -","- C36 H52 B4 Cl4 Cu4 F16 N20 -","2","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0392","0.0354","","","0.1029","0.1059","","","","","","0.851","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712510","8.279","0.003","9.55","0.003","11.678","0.004","94.69","0.02","104.15","0.02","106.77","0.03","845.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cl4 Cu2 N6 -","- C10 H14 Cl4 Cu2 N6 -","- C20 H28 Cl8 Cu4 N12 -","2","1","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.1123","0.0546","","","0.1453","0.179","","","","","","0.797","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712511","14.0051","0.0008","9.8734","0.0005","15.5093","0.0009","90","","114.108","0.003","90","","1957.54","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 B2 Cu F8 N8 -","- C12 H16 B2 Cu F8 N8 -","- C48 H64 B8 Cu4 F32 N32 -","4","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0528","0.0435","","","0.1635","0.1805","","","","","","1.001","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712512","8.4981","0.0003","6.8635","0.0003","16.2694","0.0006","90","","103.12","0.002","90","","924.17","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cl2 Cu N3 -","- C6 H9 Cl2 Cu N3 -","- C24 H36 Cl8 Cu4 N12 -","4","1","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0453","0.0306","","","0.0859","0.0982","","","","","","0.67","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712513","6.8239","0.0003","22.2246","0.0012","9.5718","0.0004","90","","110.437","0.003","90","","1360.27","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 Cu2 N10 O8 -","- C16 H22 Cl4 Cu2 N10 O8 -","- C32 H44 Cl8 Cu4 N20 O16 -","2","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0375","0.0323","","","0.1272","0.132","","","","","","1.054","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712514","6.8088","0.0006","21.937","0.002","9.5062","0.0009","90","","110.098","0.006","90","","1333.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 B2 Cl2 Cu2 F8 N10 -","- C16 H22 B2 Cl2 Cu2 F8 N10 -","- C32 H44 B4 Cl4 Cu4 F16 N20 -","2","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0767","0.0555","","","0.1557","0.167","","","","","","1.089","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712515","6.696","0.0005","14.768","0.0011","14.4998","0.001","90","","93.504","0.004","90","","1431.15","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl4 Cu2 N10 O8 -","- C18 H26 Cl4 Cu2 N10 O8 -","- C36 H52 Cl8 Cu4 N20 O16 -","2","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0675","0.0607","","","0.1598","0.1641","","","","","","1.047","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712516","6.2314","0.0003","19.6874","0.0008","8.2359","0.0004","90","","108.692","0.003","90","","957.09","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B2 Cu F8 N6 -","- C12 H18 B2 Cu F8 N6 -","- C24 H36 B4 Cu2 F16 N12 -","2","0.5","","Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern","The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00103B","","","0.71073","MoKα","","0.0571","0.0383","","","0.1038","0.1145","","","","","","0.961","","","","has coordinates","281297","2023-03-04","08:48:59",""
"7712517","13.827","0.006","29.9","0.014","4.244","0.002","90","","90","","90","","1754.6","1.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","","0.71073","MoKα","","0.106","0.053","","0.072","","0.059","","","1.062","","","1.136","","","","has coordinates","281298","2023-03-04","08:51:41",""
"7712518","4.503","0.002","21.234","0.008","6.936","0.002","90","","94.36","0.03","90","","661.3","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H9 Cl2 N5 -","- C H9 Cl2 N5 -","- C4 H36 Cl8 N20 -","4","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","","0.71073","MoKα","","0.0718","0.0524","","0.1072","0.0898","0.0898","","","","","","0.9953","","","","has coordinates","281298","2023-03-04","08:51:42",""
"7712519","3.971","0.006","11.238","0.004","16.947","0.007","90","","91.24","0.07","90","","756.1","1.2","120","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","","0.71073","MoKα","","","0.0579","","","","0.1673","","","","","","0.946","","","","has coordinates","281298","2023-03-04","08:51:44",""
"7712520","9.9036","0.0005","9.9576","0.0005","12.3123","0.0005","89.573","0.003","72.113","0.004","69.091","0.004","1072.26","0.1","296","0.1","296","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C23 H21 Cl F3 N3 O Pt -","- C23 H21 Cl F3.002 N3 O Pt -","- C46 H42 Cl2 F6.004 N6 O2 Pt2 -","2","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","","0.71073","MoKα","","0.0269","0.0231","","","0.0452","0.0471","","","","","","1.042","","","","has coordinates","281298","2023-03-04","08:51:44",""
"7712521","11.6565","0.0007","11.9574","0.0007","15.1337","0.0007","80.977","0.004","83.061","0.004","68.144","0.005","1929","0.2","99.99","0.18","99.99","0.18","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 B F4 N5 O2 Pt -","- C35 H40 B F4 N5 O2 Pt -","- C70 H80 B2 F8 N10 O4 Pt2 -","2","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","x-ray","1.54184","CuKα","","0.038","0.0355","","","0.0873","0.0893","","","","","","1.023","","","","has coordinates","281298","2023-03-04","08:51:44",""
"7712522","19.2185","0.0002","10.5181","0.0002","26.3711","0.0004","90","","93.206","0.001","90","","5322.37","0.14","100.01","0.13","100.01","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.6 H51.2 Cl5.2 N6 O2 Pt2 -","- C46 H48 Cl2 N6 O2 Pt2 -","- C184 H192 Cl8 N24 O8 Pt8 -","4","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","x-ray","1.54184","CuKα","","0.0462","0.0414","","","0.1095","0.1124","","","","","","1.043","","","","has coordinates","281298","2023-03-04","08:51:44",""
"7712523","20.0512","0.00015","11.10207","0.00008","24.15392","0.00017","90","","97.6964","0.0006","90","","5328.46","0.07","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Cl N4 O Pt -","- C24 H27 Cl N4 O Pt -","- C192 H216 Cl8 N32 O8 Pt8 -","8","2","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","x-ray","1.54184","CuKα","","0.0323","0.031","","","0.0774","0.0782","","","","","","1.054","","","","has coordinates","281298","2023-03-04","08:51:45",""
"7712524","15.0602","0.0007","8.3101","0.0003","19.5118","0.0008","90","","90","","90","","2441.94","0.18","299.99","0.1","300.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H7 I3 N2 Pb S -","- C3 H7 I3 N2 Pb S -","- C24 H56 I24 N16 Pb8 S8 -","8","1","","Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3815","3820","10.1039/d2dt03526j","","","0.71073","MoKα","","0.0828","0.0664","","","0.1718","0.183","","","","","","0.977","","","","has coordinates","283330","2023-05-05","02:35:46",""
"7712525","8.992","0.0014","17.951","0.004","8.1262","0.0011","90","","90","","90","","1311.7","0.4","416.15","","416.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H14 I6 N4 Pb2 S2 -","- C5 H14 I6 N3 Pb2 S2 -","- C10 H28 I12 N6 Pb4 S4 -","2","0.125","","Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3815","3820","10.1039/d2dt03526j","","","0.71073","MoKα","","0.1056","0.0872","","","0.2707","0.2945","","","","","","1.093","","","","has coordinates,has disorder","283330","2023-05-05","02:35:46",""
"7712526","8.7522","0.0015","17.62","0.002","8.2301","0.0011","90","","90","","90","","1269.2","0.3","377","2","377.15","","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C3 H7 I3 N2 Pb S -","- C3 H7 I3 N2 Pb S -","- C12 H28 I12 N8 Pb4 S4 -","4","0.5","","Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3815","3820","10.1039/d2dt03526j","","","0.71073","MoKα","","0.0803","0.0558","","","0.1548","0.1844","","","","","","1.012","","","","has coordinates","283330","2023-05-05","02:35:46",""
"7712527","9.4579","0.0004","12.7488","0.0005","13.7855","0.0005","90","","90","","90","","1662.21","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B10 Cl O2 -","- C10 H19 B10 Cl O2 -","- C40 H76 B40 Cl4 O8 -","4","1","","Duan, Hui-Xin; Li, Hao-Nan; Yang, Yong; Wu, Xiao-Jun; Wang, You-Qing","Catalytic asymmetric synthesis of carboranylated diols bearing two adjacent stereocenters located at the α,β-position of <i>o</i>-carborane cage carbon.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00129f","","x-ray","1.54184","CuKα","","0.0527","0.0456","","","0.1191","0.1265","","","","","","1.027","","","","has coordinates","281715","2023-03-07","23:59:21",""
"7712528","7.5739","0.0002","11.5905","0.0003","11.9375","0.0003","77.276","0.002","88.191","0.002","83.065","0.002","1014.71","0.05","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","thianth-py2","","- C23 H16 Cl2 N2 S2 -","- C23 H16 Cl2 N2 S2 -","- C46 H32 Cl4 N4 S4 -","2","1","","Labrecque, Jordan; Cho, Yae-In; McIntosh, Daniel K.; Agboola, Faridat; Rose, Michael J.","Distal scaffold flexibility accelerates ligand substitution kinetics in manganese(I) tricarbonyls: flexible thianthrene <i>versus</i> rigid anthracene scaffolds.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04048d","","","1.54184","CuKα","","0.0496","0.0486","","","0.1384","0.1396","","","","","","1.035","","","","has coordinates,has disorder","281716","2023-03-07","23:59:55",""
"7712529","8.7988","0.0002","9.5552","0.0003","17.5608","0.0004","74.444","0.002","80.984","0.002","76.153","0.002","1374.22","0.06","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","(thianth-py2)Mn(CO)3Br","","- C29 H22 Br Mn N2 O4 S2 -","- C29 H22 Br Mn N2 O4 S2 -","- C58 H44 Br2 Mn2 N4 O8 S4 -","2","1","","Labrecque, Jordan; Cho, Yae-In; McIntosh, Daniel K.; Agboola, Faridat; Rose, Michael J.","Distal scaffold flexibility accelerates ligand substitution kinetics in manganese(I) tricarbonyls: flexible thianthrene <i>versus</i> rigid anthracene scaffolds.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04048d","","x-ray","0.71073","MoKα","","0.1048","0.0716","","","0.1257","0.1357","","","","","","1.13","","","","has coordinates,has disorder","281716","2023-03-07","23:59:55",""
"7712530","9.5185","0.0005","7.0893","0.0004","11.7987","0.0006","90","","98.989","0.002","90","","786.39","0.07","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N6 -","- C18 H16 N6 -","- C36 H32 N12 -","2","0.5","","Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Meslien, Clarisse; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne","Using a diphenyl-bi-(1,2,4-triazole) tricarbonylrhenium(I) complex with intramolecular π-π stacking interaction for efficient solid-state luminescence enhancement.","Dalton transactions (Cambridge, England : 2003)","2023","52","17","5453","5465","10.1039/d2dt03573a","","","0.71073","MoKα","","0.0516","0.0476","","","0.1259","0.1303","","","","","","1.117","","","","has coordinates","283282","2023-05-05","02:00:27",""
"7712531","8.3018","0.0005","22.7231","0.001","11.6873","0.0007","90","","99.998","0.002","90","","2171.2","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl N6 O3 Re -","- C21 H16 Cl N6 O3 Re -","- C84 H64 Cl4 N24 O12 Re4 -","4","1","","Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Meslien, Clarisse; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne","Using a diphenyl-bi-(1,2,4-triazole) tricarbonylrhenium(I) complex with intramolecular π-π stacking interaction for efficient solid-state luminescence enhancement.","Dalton transactions (Cambridge, England : 2003)","2023","52","17","5453","5465","10.1039/d2dt03573a","","","0.71073","MoKα","","0.0424","0.0306","","","0.0612","0.0648","","","","","","1.084","","","","has coordinates","283282","2023-05-05","02:00:38",""
"7712532","8.0201","0.0016","16.781","0.003","19.809","0.004","90","","95.86","0.03","90","","2652.1","0.9","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Cl6 N8 Zn3 -","- C12 H36 Cl6 N8 Zn3 -","- C48 H144 Cl24 N32 Zn12 -","4","1","","Hajibabaei, Farshid; Sanei Movafagh, Samaneh; Salehzadeh, Sadegh; Gable, Robert William","A tris(2-aminoethyl)amine-based zinc complex as a highly water-soluble drug carrier for the anti-COVID-19 drug favipiravir: a joint experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00256j","","","0.71092","Synchrotron","","0.0274","0.0268","","","0.074","0.0744","","","","","","1.056","","","","has coordinates,has disorder","281718","2023-03-08","00:01:23",""
"7712533","7.5403","0.0015","10.171","0.002","11.342","0.002","79.19","0.03","88.86","0.03","74.13","0.03","821.4","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H23 Cl F N7 O3 Zn -","- C11 H23 Cl F N7 O3 Zn -","- C22 H46 Cl2 F2 N14 O6 Zn2 -","2","1","","Hajibabaei, Farshid; Sanei Movafagh, Samaneh; Salehzadeh, Sadegh; Gable, Robert William","A tris(2-aminoethyl)amine-based zinc complex as a highly water-soluble drug carrier for the anti-COVID-19 drug favipiravir: a joint experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00256j","","","0.71076","Synchrotron","","0.0379","0.0363","","","0.1044","0.1058","","","","","","1.097","","","","has coordinates","281718","2023-03-08","00:01:24",""
"7712534","13.1029","0.0004","18.5099","0.0006","7.723","0.0002","90","","90.067","0.003","90","","1873.08","0.1","100","1","100","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C12 H25 Cl F N7 O3 Zn -","- C12 H25 Cl F N7 O3 Zn -","- C48 H100 Cl4 F4 N28 O12 Zn4 -","4","1","","Hajibabaei, Farshid; Sanei Movafagh, Samaneh; Salehzadeh, Sadegh; Gable, Robert William","A tris(2-aminoethyl)amine-based zinc complex as a highly water-soluble drug carrier for the anti-COVID-19 drug favipiravir: a joint experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00256j","","x-ray","0.71073","MoKα","","0.0193","0.0183","","","0.0455","0.0461","","","","","","1.04","","","","has coordinates","281718","2023-03-08","00:01:24",""
"7712535","8.9094","0.0008","8.9354","0.0009","13.7859","0.0013","92.649","0.008","99.764","0.007","98.885","0.007","1065.65","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Cl N4 O4 Ru -","- C22 H21 Cl N4 O4 Ru -","- C44 H42 Cl2 N8 O8 Ru2 -","2","1","","Faustino, Leandro A.; Machado, Antonio; da Silva Maia, Pedro Ivo; Concepcion, Javier; Patrocinio, Antonio Otavio","Electrocatalytic properties of a novel ruthenium(II) terpyridine-based complex towards CO2 reduction","Dalton Transactions","2023","","","","","10.1039/D3DT00121K","","","0.71073","MoKα","","0.0473","0.0326","","","0.0695","0.0728","","","","","","0.949","","","","has coordinates","281719","2023-03-08","00:02:05",""
"7712536","18.412","0.002","23.1159","0.0013","4.717","0.0004","90","","90","","90","","2007.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H13 O Se0.5 -","- C11 H13 O Se0.5 -","- C88 H104 O8 Se4 -","8","1","","Joshi, Hemant; Kumar, Sunil; Singh, Sohan; Mahala, Suman; Janjani, Prachi; Rajagopala Reddy, S.; Rom, Tanmay; Paul, Avijit; Roy, Partha","Palladium complex of macrocyclic selenium ligand: Catalyst for dehydroxymethylation of dihydroxy compounds","Dalton Transactions","2023","","","","","10.1039/D3DT00375B","","x-ray","1.54184","CuKα","","0.1345","0.0999","","","0.2731","0.3115","","","","","","1.056","","","","has coordinates","281753","2023-03-08","23:53:04",""
"7712537","24.3388","0.0017","10.2891","0.0007","18.3315","0.0012","90","","109.15","0.002","90","","4336.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl2 O4 Pd Se2 -","- C44 H52 Cl2 O4 Pd Se2 -","- C176 H208 Cl8 O16 Pd4 Se8 -","4","1","","Joshi, Hemant; Kumar, Sunil; Singh, Sohan; Mahala, Suman; Janjani, Prachi; Rajagopala Reddy, S.; Rom, Tanmay; Paul, Avijit; Roy, Partha","Palladium complex of macrocyclic selenium ligand: Catalyst for dehydroxymethylation of dihydroxy compounds","Dalton Transactions","2023","","","","","10.1039/D3DT00375B","","","0.71073","MoKα","","0.0368","0.0284","","","0.0665","0.0692","","","","","","1.034","","","","has coordinates","281753","2023-03-08","23:53:05",""
"7712538","9.0789","0.0006","14.488","0.001","16.3561","0.0012","90","","103.025","0.002","90","","2096","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cl4 N3 Pd -","- C20 H15 Cl4 N3 Pd -","- C80 H60 Cl16 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.0247","0.0222","","","0.0533","0.0546","","","","","","1.113","","","","has coordinates","281754","2023-03-08","23:54:53",""
"7712539","13.4034","0.0003","12.0835","0.0003","14.6627","0.0003","90","","115.276","0.001","90","","2147.41","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br2 Cl2 N3 Pd -","- C20 H15 Br2 Cl2 N3 Pd -","- C80 H60 Br8 Cl8 N12 Pd4 -","4","1","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.0277","0.0249","","","0.0592","0.0603","","","","","","1.064","","","","has coordinates","281754","2023-03-08","23:54:54",""
"7712540","22.0556","0.0004","15.0381","0.0003","6.9856","0.0001","90","","100.109","0.0006","90","","2280.97","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Br2.41 Cl1.59 N3 Pd -","- C20 H15 Br2.4098 Cl1.5902 N3 Pd -","- C80 H60 Br9.6392 Cl6.3608 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.0316","0.023","","","0.0495","0.0529","","","","","","1.043","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712541","36.2866","0.0007","8.7886","0.0002","14.5007","0.0003","90","","90","","90","","4624.4","0.17","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H15 Cl2 F6 N3 Pd -","- C22 H15 Cl2 F6 N3 Pd -","- C176 H120 Cl16 F48 N24 Pd8 -","8","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.015","0.0143","","","0.035","0.0355","","","","","","1.07","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712542","6.96427","0.00016","14.9658","0.0003","21.8956","0.0005","90","","98.197","0.002","90","","2258.77","0.09","99.97","0.1","99.97","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H15 Br2 Cl2 N3 Pd -","- C20 H15 Br2 Cl2 N3 Pd -","- C80 H60 Br8 Cl8 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","x-ray","0.71073","MoKα","","0.0323","0.0238","","","0.0572","0.0598","","","","","","1.044","","","","has coordinates","281754","2023-03-08","23:54:54",""
"7712543","13.523","0.0003","11.9245","0.0003","14.5709","0.0004","90","","115.674","0.001","90","","2117.66","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl4 N3 Pd -","- C20 H15 Cl4 N3 Pd -","- C80 H60 Cl16 N12 Pd4 -","4","1","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.0883","0.0461","","","0.0884","0.1027","","","","","","1.017","","","","has coordinates","281754","2023-03-08","23:54:54",""
"7712544","6.953","0.0003","14.9603","0.0005","22.6625","0.0008","90","","95.962","0.003","90","","2344.58","0.15","99.97","0.1","99.97","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H15 Cl2 F6 N3 Pd -","- C22 H15 Cl2 F6 N3 Pd -","- C88 H60 Cl8 F24 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","x-ray","0.71073","MoKα","","0.0536","0.0381","","","0.118","0.1292","","","","","","1.034","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712545","11.1768","0.0002","13.3155","0.0002","14.9335","0.0003","116.139","0.001","93.487","0.001","103.291","0.001","1908.02","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl2 N3 Pd -","- C20 H17 Cl2 N3 Pd -","- C80 H68 Cl8 N12 Pd4 -","4","2","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.0307","0.0236","","","0.0498","0.053","","","","","","1.04","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712546","18.1381","0.0003","16.7952","0.0003","7.5553","0.0001","90","","90","","90","","2301.59","0.06","100","0.2","100","0.2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl2 F6 N3 Pd -","- C22 H15 Cl2 F6 N3 Pd -","- C88 H60 Cl8 F24 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","x-ray","0.71073","MoKα","","0.0356","0.0259","","","0.0627","0.0662","","","","","","1.04","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712547","10.2945","0.0006","14.507","0.0008","21.656","0.0012","70.369","0.004","83.84","0.005","89.494","0.005","3027.3","0.3","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cl3 F N2 P Re -","- C29 H28 Cl3 F N2 P Re -","- C116 H112 Cl12 F4 N8 P4 Re4 -","4","2","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0413","0.0235","","","0.0411","0.0439","","","","","","0.888","","","","has coordinates","281755","2023-03-08","23:57:47",""
"7712548","12.5541","0.0007","13.5237","0.0007","20.8711","0.0012","77.386","0.004","86.283","0.004","64.117","0.004","3109.2","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H66 Cl3 F N3 Re -","- C56 H54 Cl3 F N3 Re -","- C112 H108 Cl6 F2 N6 Re2 -","2","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0459","0.0368","","","0.0873","0.0901","","","","","","0.961","","","","has coordinates","281755","2023-03-08","23:57:48",""
"7712549","46.9293","0.001","46.9293","0.001","8.3649","0.0002","90","","90","","90","","18422.5","0.7","105","","105","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C47 H27 Cl3 F14 N2 P Re -","- C47 H27 Cl3 F14 N2 P Re -","- C752 H432 Cl48 F224 N32 P16 Re16 -","16","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","1.54178","CuKα","","0.0332","0.0287","","","0.0703","0.0734","","","","","","1.03","","","","has coordinates,has disorder","281755","2023-03-08","23:57:48",""
"7712550","18.349","0.004","10.552","0.002","19.299","0.004","90","","99.46","0.03","90","","3685.8","1.3","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl3 F N2 P Re -","- C37 H36 Cl3 F N2 P Re -","- C148 H144 Cl12 F4 N8 P4 Re4 -","4","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0358","0.0252","","","0.0541","0.0565","","","","","","0.979","","","","has coordinates","281755","2023-03-08","23:57:48",""
"7712551","24.4087","0.0009","25.0277","0.0007","28.2885","0.0013","90","","108.962","0.003","90","","16343.5","1.1","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H102 Cl3 F N3 Re -","- C80 H102 Cl3 F N3 Re -","- C640 H816 Cl24 F8 N24 Re8 -","8","2","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.113","0.0524","","","0.1164","0.1346","","","","","","0.881","","","","has coordinates,has disorder","281755","2023-03-08","23:57:48",""
"7712552","9.0634","0.0018","25.461","0.005","13.352","0.003","90","","99.2","0.03","90","","3041.5","1.1","200","","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Cl3 F N3 O2 P Re -","- C31 H23 Cl3 F N3 O2 P Re -","- C124 H92 Cl12 F4 N12 O8 P4 Re4 -","4","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0568","0.0281","","","0.0423","0.0459","","","","","","0.822","","","","has coordinates","281755","2023-03-08","23:57:48",""
"7712553","10.858","0.002","14.422","0.003","20.631","0.004","77.64","0.03","75.03","0.03","81.35","0.03","3033.2","1.2","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H76 Cl3 F N2 O P Re -","- C65 H76 Cl3 F N2 O P Re -","- C130 H152 Cl6 F2 N4 O2 P2 Re2 -","2","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.081","0.0417","","","0.0551","0.0618","","","","","","0.755","","","","has coordinates","281755","2023-03-08","23:57:48",""
"7712554","14.706","0.003","16.346","0.003","17.419","0.005","84.392","0.008","82.455","0.009","63.855","0.005","3722.5","1.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C154.5 H178 Cl8 F2 N6 Re2 -","- C154.5 H178 Cl8 F2 N6 Re2 -","- C154.5 H178 Cl8 F2 N6 Re2 -","1","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","x-ray","0.71073","MoKα","K-L~2,3~","0.046","0.0396","","","0.0993","0.1039","","","","","","1.045","","","","has coordinates,has disorder","281755","2023-03-08","23:57:49",""
"7712555","12.4219","0.0009","11.5944","0.0008","20.6804","0.0016","90","","106.88","0.003","90","","2850.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl3 F N2 P Re -","- C31 H24 Cl3 F N2 P Re -","- C124 H96 Cl12 F4 N8 P4 Re4 -","4","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0288","0.0268","","","0.0564","0.0571","","","","","","1.141","","","","has coordinates","281755","2023-03-08","23:57:49",""
"7712556","9.6268","0.0007","20.7312","0.001","16.4187","0.001","90","","100.002","0.005","90","","3227","0.3","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl3 F N2 P Re -","- C34 H30 Cl3 F N2 P Re -","- C136 H120 Cl12 F4 N8 P4 Re4 -","4","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0458","0.0271","","","0.047","0.0501","","","","","","0.919","","","","has coordinates","281755","2023-03-08","23:57:49",""
"7712557","11.17","0.002","21.178","0.004","12.895","0.003","90","","103.82","0.03","90","","2962.1","1.1","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl3 F2 N2 P Re -","- C31 H23 Cl3 F2 N2 P Re -","- C124 H92 Cl12 F8 N8 P4 Re4 -","4","1","","Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich","Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility","Dalton Transactions","2023","","","","","10.1039/D3DT00446E","","","0.71073","MoKα","","0.0663","0.0358","","","0.0597","0.0652","","","","","","0.886","","","","has coordinates","281755","2023-03-08","23:57:49",""
"7712558","8.3459","0.0006","12.9372","0.0009","19.0279","0.0014","90","","90","","90","","2054.5","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl Co N4 O4 -","- C20 H24 Cl Co N4 O4 -","- C80 H96 Cl4 Co4 N16 O16 -","4","1","","Castro-Ruiz, Andrés; Grefe, Lea; Mejía, Esteban; Suman, Sigridur G.","Cobalt complexes with α-amino acid ligands catalyze the incorporation of CO2 into cyclic carbonates","Dalton Transactions","2023","52","13","4186","4199","10.1039/D2DT03595B","","","0.71073","MoKα","","0.0302","0.0279","","","0.077","0.0796","","","","","","1.042","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712559","15.686","0.0011","9.7121","0.0009","18.3253","0.0018","90","","104.091","0.009","90","","2707.7","0.4","292","2","292","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C48 H50 Cu2 F2 N18 O15 -","- C48 H50 Cu2 F2 N18 O15 -","- C96 H100 Cu4 F4 N36 O30 -","2","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin","Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT00363A","","","0.71073","MoKα","","0.1481","0.0466","","","0.0566","0.0659","","","","","","0.706","","","","has coordinates,has disorder","281784","2023-03-09","23:52:46",""
"7712560","11.6071","0.0009","13.0317","0.0014","12.3107","0.0011","90","","91.472","0.008","90","","1861.5","0.3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl Cu F N5 O2 -","- C19 H13 Cl Cu F N5 O2 -","- C76 H52 Cl4 Cu4 F4 N20 O8 -","4","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin","Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT00363A","","x-ray","0.71073","MoKα","","0.0679","0.0462","","","0.1032","0.1142","","","","","","1.077","","","","has coordinates","281784","2023-03-09","23:52:46",""
"7712561","8.1412","0.0004","21.3384","0.0013","11.1897","0.0006","90","","93.746","0.004","90","","1939.72","0.18","292","2","292","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl Cu F N4 O3 S -","- C16 H16 Cl Cu F N4 O3 S -","- C64 H64 Cl4 Cu4 F4 N16 O12 S4 -","4","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin","Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT00363A","","","0.71073","MoKα","","0.113","0.0526","","","0.0789","0.0968","","","","","","1.006","","","","has coordinates","281784","2023-03-09","23:52:46",""
"7712562","7.8385","0.0007","8.4548","0.0009","15.5138","0.001","84.255","0.007","77.099","0.007","70.084","0.009","941.93","0.16","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cu F N6 O6 -","- C16 H17 Cu F N6 O6 -","- C32 H34 Cu2 F2 N12 O12 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin","Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT00363A","","","0.71073","MoKα","","0.0745","0.0436","","","0.0808","0.0851","","","","","","0.856","","","","has coordinates,has disorder","281784","2023-03-09","23:52:46",""
"7712563","13.1277","0.0013","19.623","0.003","24.848","0.003","90","","95.728","0.01","90","","6369","1.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 Cu F2 N8 O8 -","- C32 H22 Cu F2 N8 O5 -","- C256 H176 Cu8 F16 N64 O40 -","8","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin","Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT00363A","","","0.71073","MoKα","","0.1655","0.1103","","","0.264","0.2998","","","","","","1.038","","","","has coordinates","281784","2023-03-09","23:52:46",""
"7712564","11.3963","0.0006","12.6001","0.0007","14.2773","0.0007","73.724","0.002","86.205","0.002","69.356","0.002","1840.4","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Co N4 O7 -","- C39 H36 Cl2 Co N4 O7 -","- C78 H72 Cl4 Co2 N8 O14 -","2","1","","Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.","Light-induced O<sub>2</sub>-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03727k","","x-ray","0.71073","MoKα","","0.049","0.0411","","","0.0975","0.1019","","","","","","1.047","","","","has coordinates","281785","2023-03-09","23:54:21",""
"7712565","13.8215","0.0007","18.074","0.001","14.7453","0.0007","90","","110.426","0.002","90","","3451.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 Co N4 O8 -","- C37 H30 Cl2 Co N4 O8 -","- C148 H120 Cl8 Co4 N16 O32 -","4","1","","Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.","Light-induced O<sub>2</sub>-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03727k","","x-ray","0.71073","MoKα","","0.0558","0.0352","","","0.0736","0.0809","","","","","","1.027","","","","has coordinates","281785","2023-03-09","23:54:21",""
"7712566","21.4753","0.0012","17.7824","0.0009","19.634","0.0012","90","","90","","90","","7497.9","0.7","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H36.5 Cl2 Co N4.5 O6.5 -","- C40 H36.5 Cl2 Co N4.5 O6.5 -","- C320 H292 Cl16 Co8 N36 O52 -","8","2","","Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.","Light-induced O<sub>2</sub>-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03727k","","x-ray","0.71073","MoKα","","0.046","0.0356","","","0.0837","0.0891","","","","","","1.032","","","","has coordinates","281785","2023-03-09","23:54:22",""
"7712567","10.0272","0.0008","10.227","0.0006","15.4354","0.0006","82.304","0.004","83.219","0.004","61.217","0.007","1372.19","0.17","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N6 O8 -","- C24 H22 Cl2 Co N6 O8 -","- C48 H44 Cl4 Co2 N12 O16 -","2","1","","Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.","Light-induced O<sub>2</sub>-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03727k","","x-ray","0.71073","MoKα","","0.0533","0.0363","","","0.0828","0.0885","","","","","","1.042","","","","has coordinates","281785","2023-03-09","23:54:22",""
"7712568","10.938","0.0006","12.1342","0.0011","12.3961","0.0007","90","","97.486","0.005","90","","1631.2","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br Cl N2 O3 Re -","- C14 H9 Br Cl N2 O3 Re -","- C56 H36 Br4 Cl4 N8 O12 Re4 -","4","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.0852","0.0829","","","0.2252","0.2289","","","","","","1.111","","","","has coordinates","281786","2023-03-09","23:56:01",""
"7712569","10.9912","0.0004","12.2942","0.0004","12.4352","0.0005","90","","97.928","0.003","90","","1664.28","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 N2 O3 Re -","- C14 H9 Br2 N2 O3 Re -","- C56 H36 Br8 N8 O12 Re4 -","4","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.0661","0.0648","","","0.1665","0.168","","","","","","1.091","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712570","14.9333","0.0005","11.3306","0.0002","9.2074","0.0003","90","","106.894","0.002","90","","1490.69","0.08","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H10 Br N2 O3 Re -","- C14 H10 Br N2 O3 Re -","- C56 H40 Br4 N8 O12 Re4 -","4","2","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.042","0.0418","","","0.1204","0.1207","","","","","","1.075","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712571","12.8442","0.0003","11.1458","0.0003","21.9911","0.0005","90","","92.621","0.002","90","","3144.93","0.13","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Br Cl N2 O3 Re -","- C14 H9 Br Cl N2 O3 Re -","- C112 H72 Br8 Cl8 N16 O24 Re8 -","8","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.0461","0.0443","","","0.1169","0.1178","","","","","","1.172","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712572","14.7874","0.0005","11.5066","0.0002","8.8657","0.0003","90","","92.42","0.003","90","","1507.18","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br F2 N2 O3 Re -","- C14 H8 Br F2 N2 O3 Re -","- C56 H32 Br4 F8 N8 O12 Re4 -","4","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.0242","0.0241","","","0.0624","0.0625","","","","","","1.236","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712573","14.1812","0.0002","7.8891","0.0001","13.6693","0.0002","90","","90","","90","","1529.28","0.04","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H8 Br F2 N2 O3 Re -","- C14 H8 Br F2 N2 O3 Re -","- C56 H32 Br4 F8 N8 O12 Re4 -","4","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.0147","0.0147","","","0.0387","0.0387","","","","","","1.231","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712574","7.7857","0.0003","8.4162","0.0003","11.367","0.0004","92.44","0.003","95.136","0.003","92.303","0.003","740.45","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Br N2 O4 Re -","- C14 H10 Br N2 O4 Re -","- C28 H20 Br2 N4 O8 Re2 -","2","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.02","0.0199","","","0.048","0.048","","","","","","1.208","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712575","8.296","0.0005","12.6795","0.0008","13.3039","0.0008","75.452","0.001","85.767","0.001","80.509","0.001","1335.25","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 N2 O12 P2 Zn2 -","- C24 H22 N2 O12 P2 Zn2 -","- C48 H44 N4 O24 P4 Zn4 -","2","1","","Zhang, Xu; Li, Xin; Ding, Tianyang; Yu, Jiahui; Jiao, Cheng–Qi; Hu, Ye; Zhou, Yanan; Zhu, Yanyu; Sun, Zhen-Gang; Zheng, Hanwen","Post–synthetic functionalization of Zn–CP by Tb3+ ions: ratiometric luminescent sensor for the ultraviolet filter benzophenone","Dalton Transactions","2023","","","","","10.1039/D3DT00392B","","","0.71073","MoKα","","0.0363","0.0273","","","0.065","0.0686","","","","","","1.045","","","","has coordinates","281787","2023-03-09","23:56:58",""
"7712576","9.9491","0.0003","10.3985","0.0003","15.9112","0.0005","72.242","0.001","86.227","0.001","64.329","0.001","1408.71","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Eu N4 O10 S -","- C24 H18 Eu N3 O9 S -","- C48 H36 Eu2 N6 O18 S2 -","2","1","","Li, Yu; Cai, Ding-Gui; Zhu, Zi-Hao; Xu, Hui; Zheng, Teng-Fei; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Solvothermal synthesis and device fabrication of a Eu<sup>3+</sup>-based metal-organic framework as a turn-on and blue-shift fluorescence sensor toward Cr<sup>3+</sup>, Al<sup>3+</sup> and Ga<sup>3</sup>.","Dalton transactions (Cambridge, England : 2003)","2023","52","13","4167","4175","10.1039/d2dt03230a","","","0.71073","MoKα","","0.0176","0.016","","","0.0406","0.0416","","","","","","1.0557","","","","has coordinates,has disorder","283314","2023-05-05","02:22:17",""
"7712577","16.333","","10.519","","16.915","","90","","111.1","","90","","2711.27","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br4 N2 Zn -","- C20 H44 Br4 N2 Zn -","- C80 H176 Br16 N8 Zn4 -","4","1","","Fan, Liubing; Hao, Shiqiang; He, Shihui; Zhang, Xusheng; Li, Mingyang; Wolverton, Chris M.; Zhao, Jing; Liu, Quanlin","Luminescent Hybrid Halides with Various Centering Metal Cations (Zn, Cd and Pb) and Diverse Structures","Dalton Transactions","2023","","","","","10.1039/D2DT04067K","","","0.71069","MoKα","","0.0281","0.0217","","","0.0502","0.0527","","","","","","1.032","","","","has coordinates","281789","2023-03-09","23:58:36",""
"7712578","11.965","","16.476","","19.392","","74.55","","75.12","","86.03","","3561.14","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H144 Br30 N8 O Pb11 -","- C80 H156 Br30 N8 Pb11 -","- C80 H156 Br30 N8 Pb11 -","1","0.5","","Fan, Liubing; Hao, Shiqiang; He, Shihui; Zhang, Xusheng; Li, Mingyang; Wolverton, Chris M.; Zhao, Jing; Liu, Quanlin","Luminescent Hybrid Halides with Various Centering Metal Cations (Zn, Cd and Pb) and Diverse Structures","Dalton Transactions","2023","","","","","10.1039/D2DT04067K","","","0.71069","MoKα","","0.055","0.0428","","","0.0936","0.0982","","","","","","1.03","","","","has coordinates,has disorder","281789","2023-03-09","23:58:36",""
"7712579","17.5329","0.0005","9.9301","0.0002","33.1666","0.0006","90","","102.82","0.002","90","","5630.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Br4.03 Cd N2 -","- C20 H35.5 Br4.044 Cd N2 -","- C160 H284 Br32.352 Cd8 N16 -","8","2","","Fan, Liubing; Hao, Shiqiang; He, Shihui; Zhang, Xusheng; Li, Mingyang; Wolverton, Chris M.; Zhao, Jing; Liu, Quanlin","Luminescent Hybrid Halides with Various Centering Metal Cations (Zn, Cd and Pb) and Diverse Structures","Dalton Transactions","2023","","","","","10.1039/D2DT04067K","","","1.54184","CuKα","","0.1012","0.0869","","","0.2365","0.2526","","","","","","1.041","","","","has coordinates,has disorder","281789","2023-03-09","23:58:36",""
"7712580","9.6484","0.0005","10.6341","0.0006","18.3612","0.001","97.385","0.002","94.546","0.002","110.352","0.002","1736","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Cl2 O P2 Pd -","- C38 H46 Cl2 O P2 Pd -","- C76 H92 Cl4 O2 P4 Pd2 -","2","1","","Hong, Li-Hui; Feng, Wei-Jung; Chen, Wei-Chih; Chang, Yu-Chang","Highly Efficient and Well-Defined Phosphinous Acid-Ligated Pd(II) Precatalysts for Hirao Cross-Coupling Reaction","Dalton Transactions","2023","","","","","10.1039/D3DT00033H","","x-ray","0.71073","MoKα","","0.0277","0.0234","","","0.0639","0.0678","","","","","","0.994","","","","has coordinates,has disorder","281790","2023-03-09","23:59:37",""
"7712581","11.7915","0.0004","16.4016","0.0005","12.2069","0.0004","90","","105.158","0.0012","90","","2278.67","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl4 O2 P2 Pd2 -","- C40 H62 Cl4 O2 P2 Pd2 -","- C80 H124 Cl8 O4 P4 Pd4 -","2","0.5","","Hong, Li-Hui; Feng, Wei-Jung; Chen, Wei-Chih; Chang, Yu-Chang","Highly Efficient and Well-Defined Phosphinous Acid-Ligated Pd(II) Precatalysts for Hirao Cross-Coupling Reaction","Dalton Transactions","2023","","","","","10.1039/D3DT00033H","","","0.71073","MoKα","","0.0281","0.0245","","","0.0629","0.0668","","","","","","1.032","","","","has coordinates","281790","2023-03-09","23:59:38",""
"7712582","9.3661","0.0005","9.7124","0.0005","11.4886","0.0005","77.95","0.002","88.078","0.0019","79.4227","0.0018","1004.68","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 O P -","- C26 H23 O P -","- C52 H46 O2 P2 -","2","1","","Hong, Li-Hui; Feng, Wei-Jung; Chen, Wei-Chih; Chang, Yu-Chang","Highly Efficient and Well-Defined Phosphinous Acid-Ligated Pd(II) Precatalysts for Hirao Cross-Coupling Reaction","Dalton Transactions","2023","","","","","10.1039/D3DT00033H","","","0.71073","MoKα","","0.0753","0.0628","","","0.1662","0.1795","","","","","","1.046","","","","has coordinates,has disorder","281790","2023-03-09","23:59:38",""
"7712583","16.213","0.009","21.156","0.011","17.21","0.006","90","","91.208","0.006","90","","5902","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H8 Ag Al F64 O4 -","- C52 H8 Ag Al F64 O4 -","- C208 H32 Ag4 Al4 F256 O16 -","4","1","","Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo","The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.","Dalton Transactions","2023","","","","","10.1039/D3DT00199G","","x-ray","0.71073","MoKα","","0.08","0.0517","","","0.1227","0.1383","","","","","","1.105","","","","has coordinates,has disorder","281819","2023-03-10","23:59:14",""
"7712584","18.44","0.004","14.863","0.004","22.062","0.005","90","","104.402","0.009","90","","5857","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H21 Al F60 O6 -","- C48 H21 Al F60 O6 -","- C192 H84 Al4 F240 O24 -","4","1","","Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo","The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.","Dalton Transactions","2023","","","","","10.1039/D3DT00199G","","x-ray","0.71073","MoKα","","0.0866","0.0614","","","0.1269","0.1387","","","","","","1.101","","","","has coordinates,has disorder","281819","2023-03-10","23:59:15",""
"7712585","14.9498","0.0007","18.4428","0.0012","36.696","0.0019","90","","90","","90","","10117.7","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C90 H20 Ag3 Al F100 O6 -","- C90 H20 Ag3 Al F100 O6 -","- C360 H80 Ag12 Al4 F400 O24 -","4","1","","Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo","The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.","Dalton Transactions","2023","","","","","10.1039/D3DT00199G","","x-ray","0.71073","MoKα","","0.0499","0.0402","","","0.0782","0.0822","","","","","","1.078","","","","has coordinates,has disorder","281819","2023-03-10","23:59:15",""
"7712586","12.724","0.009","22.259","0.017","23.784","0.018","90","","101.54","0.02","90","","6600","9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H17 Al Cl2 F60 O4 -","- C60 H17 Al Cl2 F60 O4 -","- C240 H68 Al4 Cl8 F240 O16 -","4","1","","Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo","The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.","Dalton Transactions","2023","","","","","10.1039/D3DT00199G","","x-ray","0.71073","MoKα","","0.0655","0.0458","","","0.1143","0.127","","","","","","1.049","","","","has coordinates,has disorder","281819","2023-03-10","23:59:15",""
"7712587","4.247","0.0002","10.1878","0.0005","19.0944","0.0009","90","","92.379","0.002","90","","825.46","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 N2 -","- C18 H18 Br2 N2 -","- C36 H36 Br4 N4 -","2","0.5","","Ahumada, Guillermo; Hamon, Paul; Roisnel, Thierry; Dorcet, Vincent; Fuentealba, Mauricio; Hernández, Loreto A.; Carrillo, David; Hamon, Jean-René; Manzur, Carolina","Spectroscopy, molecular structure, and electropolymerization of Ni(ii) and Cu(ii) complexes containing a thiophene-appending fluorinated Schiff base ligand","Dalton Transactions","2023","52","13","4224","4236","10.1039/D3DT00224A","","x-ray","0.71073","MoKα","","0.0442","0.032","","","0.0612","0.0653","","","","","","0.964","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712588","18.4962","0.0006","12.7149","0.0006","14.25","0.0006","90","","105.31","0.002","90","","3232.3","0.2","170","2","170","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 Cl2 F6 N2 Ni O2 S2 -","- C31 H22 Cl2 F6 N2 Ni O2 S2 -","- C124 H88 Cl8 F24 N8 Ni4 O8 S8 -","4","0.5","","Ahumada, Guillermo; Hamon, Paul; Roisnel, Thierry; Dorcet, Vincent; Fuentealba, Mauricio; Hernández, Loreto A.; Carrillo, David; Hamon, Jean-René; Manzur, Carolina","Spectroscopy, molecular structure, and electropolymerization of Ni(ii) and Cu(ii) complexes containing a thiophene-appending fluorinated Schiff base ligand","Dalton Transactions","2023","52","13","4224","4236","10.1039/D3DT00224A","","x-ray","0.71073","MoKα","","0.0952","0.0731","","","0.1845","0.2159","","","","","","1.055","","","","has coordinates,has disorder","282621","2023-04-13","12:20:56",""
"7712589","19.941","0.003","9.7696","0.0013","12.123","0.0016","90","","100.103","0.005","90","","2325.1","0.6","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Br2 Cu F6 N2 O2 -","- C22 H14 Br2 Cu F6 N2 O2 -","- C88 H56 Br8 Cu4 F24 N8 O8 -","4","0.5","","Ahumada, Guillermo; Hamon, Paul; Roisnel, Thierry; Dorcet, Vincent; Fuentealba, Mauricio; Hernández, Loreto A.; Carrillo, David; Hamon, Jean-René; Manzur, Carolina","Spectroscopy, molecular structure, and electropolymerization of Ni(ii) and Cu(ii) complexes containing a thiophene-appending fluorinated Schiff base ligand","Dalton Transactions","2023","52","13","4224","4236","10.1039/D3DT00224A","","x-ray","0.71073","MoKα","","0.0462","0.0331","","","0.0817","0.0892","","","","","","1.057","","","","has coordinates","282621","2023-04-13","12:20:56",""
"7712590","12.9907","0.0013","18.1315","0.0019","10.3924","0.0012","90","","109.105","0.004","90","","2313","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 F6 N2 O2 -","- C22 H16 Br2 F6 N2 O2 -","- C88 H64 Br8 F24 N8 O8 -","4","1","","Ahumada, Guillermo; Hamon, Paul; Roisnel, Thierry; Dorcet, Vincent; Fuentealba, Mauricio; Hernández, Loreto A.; Carrillo, David; Hamon, Jean-René; Manzur, Carolina","Spectroscopy, molecular structure, and electropolymerization of Ni(ii) and Cu(ii) complexes containing a thiophene-appending fluorinated Schiff base ligand","Dalton Transactions","2023","52","13","4224","4236","10.1039/D3DT00224A","","x-ray","0.71073","MoKα","","0.0776","0.0424","","","0.0759","0.0854","","","","","","1.027","","","","has coordinates","282621","2023-04-13","12:20:56",""
"7712591","20.0985","0.0014","9.6051","0.0006","11.9138","0.0008","90","","100.023","0.002","90","","2264.8","0.3","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Br2 F6 N2 Ni O2 -","- C22 H14 Br2 F6 N2 Ni O2 -","- C88 H56 Br8 F24 N8 Ni4 O8 -","4","0.5","","Ahumada, Guillermo; Hamon, Paul; Roisnel, Thierry; Dorcet, Vincent; Fuentealba, Mauricio; Hernández, Loreto A.; Carrillo, David; Hamon, Jean-René; Manzur, Carolina","Spectroscopy, molecular structure, and electropolymerization of Ni(ii) and Cu(ii) complexes containing a thiophene-appending fluorinated Schiff base ligand","Dalton Transactions","2023","52","13","4224","4236","10.1039/D3DT00224A","","x-ray","0.71073","MoKα","","0.0855","0.0753","","","0.2439","0.2525","","","","","","1.146","","","","has coordinates","282621","2023-04-13","12:20:56",""
"7712592","23.7335","0.0011","13.5133","0.0007","12.4009","0.0007","90","","97.156","0.005","90","","3946.2","0.4","100","0.1","100.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H54 N2 Ni O2 S2 -","- C42 H54 N2 Ni O2 S2 -","- C168 H216 N8 Ni4 O8 S8 -","4","1","","Biswas, Bhaskar; Paramanik, Krishnendu; Banerjee, Nilaj; Sarkar, Gayetri; Chatterjee, Souvik; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Das, Hari Sankar","Ligand-Metal Cooperativity in Quinonoid Based Nickel(II) and Cobalt(II) Complexes for Catalytic Hydrosilylative Reduction of Nitrile to Amine: Electron Transfer and Mechanistic Insight","Dalton Transactions","2023","","","","","10.1039/D3DT00090G","","","0.71073","MoKα","","0.0585","0.0447","","","0.1066","0.1145","","","","","","1.04","","","","has coordinates,has disorder","281821","2023-03-11","00:07:10",""
"7712593","11.2348","0.0006","14.912","0.0008","18.6487","0.001","90","0.002","92.236","0.002","90","0.002","3121.9","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 B2 F2 N2 O2 -","- C42 H26 B2 F2 N2 O2 -","- C168 H104 B8 F8 N8 O8 -","4","1","","Gomes, Pedro T.; Fialho, Carina B.; Cruz, Tiago Carpinteiro; Rodrigues, Ana I.; Calhorda, Maria José; Vieira Ferreira, Luís Filipe Filipe; Pander, Piotr Henryk; Dias, Fernando B.; Morgado, Jorge; Maçanita, António L.","9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT00496A","","","0.71073","MoKα","","0.2149","0.1694","","","0.2759","0.2953","","","","","","1.149","","","","has coordinates","281822","2023-03-11","00:11:37",""
"7712594","9.903","0.002","13.273","0.002","13.425","0.003","90","","103.851","0.005","90","","1713.3","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 B Cl2 N O -","- C21 H12 B Cl2 N O -","- C84 H48 B4 Cl8 N4 O4 -","4","1","","Gomes, Pedro T.; Fialho, Carina B.; Cruz, Tiago Carpinteiro; Rodrigues, Ana I.; Calhorda, Maria José; Vieira Ferreira, Luís Filipe Filipe; Pander, Piotr Henryk; Dias, Fernando B.; Morgado, Jorge; Maçanita, António L.","9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT00496A","","","0.71073","MoKα","","0.0744","0.0466","","","0.1282","0.152","","","","","","0.921","","","","has coordinates","281822","2023-03-11","00:11:38",""
"7712595","15.216","0.012","7.888","0.006","13.809","0.011","90","","96.18","0.02","90","","1648","2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 B Cl N O -","- C21 H13 B Cl N O -","- C84 H52 B4 Cl4 N4 O4 -","4","1","","Gomes, Pedro T.; Fialho, Carina B.; Cruz, Tiago Carpinteiro; Rodrigues, Ana I.; Calhorda, Maria José; Vieira Ferreira, Luís Filipe Filipe; Pander, Piotr Henryk; Dias, Fernando B.; Morgado, Jorge; Maçanita, António L.","9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT00496A","","","0.71073","MoKα","","0.3331","0.1131","","","0.2007","0.2928","","","","","","0.952","","","","has coordinates","281822","2023-03-11","00:11:38",""
"7712596","10.8807","0.0006","28.8313","0.0015","11.2931","0.0006","90","","114.236","0.002","90","","3230.5","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 B2 F N2 O3 -","- C42 H30 B2 F2 N2 O2 -","- C168 H120 B8 F8 N8 O8 -","4","1","","Gomes, Pedro T.; Fialho, Carina B.; Cruz, Tiago Carpinteiro; Rodrigues, Ana I.; Calhorda, Maria José; Vieira Ferreira, Luís Filipe Filipe; Pander, Piotr Henryk; Dias, Fernando B.; Morgado, Jorge; Maçanita, António L.","9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT00496A","","","0.71073","MoKα","","0.073","0.0606","","","0.1347","0.141","","","","","","1.122","","","","has coordinates","281822","2023-03-11","00:11:39",""
"7712597","8.9037","0.0007","17.9932","0.0013","11.0787","0.0008","90","","102.586","0.004","90","","1732.2","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 B Cl2 N O -","- C21 H14 B Cl2 N O -","- C84 H56 B4 Cl8 N4 O4 -","4","1","","Gomes, Pedro T.; Fialho, Carina B.; Cruz, Tiago Carpinteiro; Rodrigues, Ana I.; Calhorda, Maria José; Vieira Ferreira, Luís Filipe Filipe; Pander, Piotr Henryk; Dias, Fernando B.; Morgado, Jorge; Maçanita, António L.","9-Borafluoren-9-yl and diphenylboron tetracoordinate complexes of F- and Cl-substituted 8-quinolinolato ligands: synthesis, molecular and electronic structures, fluorescence and application in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT00496A","","","0.71073","MoKα","","0.0671","0.0385","","","0.0998","0.1185","","","","","","0.863","","","","has coordinates","281822","2023-03-11","00:11:39",""
"7712598","8.9576","0.001","9.4001","0.0011","11.9155","0.0012","91.927","0.004","102.862","0.003","115.726","0.003","871.44","0.17","150","2","150","","","","","","","","","6","P -1","-P 1","2","","S1","","- C2 H3.75 B1.25 Co0.25 N O2.5 -","- C2 H3.75 B1.25 Co0.25 N O2.5 -","- C16 H30 B10 Co2 N8 O20 -","8","4","","Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang","Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00196b","","","0.71073","MoKα","","0.0315","0.0282","","","0.0778","0.0795","","","","","","1.14","","","","has coordinates","281852","2023-03-13","23:59:09",""
"7712599","12.3437","0.0006","9.1086","0.0004","12.9438","0.0006","90","","90","","90","","1455.32","0.12","150","2","150","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- B6.5 Co0.5 H3 K3.5 O14 -","- B6.5 Co0.5 H3 K3.5 O14 -","- B26 Co2 H12 K14 O56 -","4","1","","Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang","Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00196b","","","0.71073","MoKα","","0.0679","0.0591","","","0.1591","0.1667","","","","","","1.074","","","","has coordinates,has disorder","281852","2023-03-13","23:59:09",""
"7712600","9.1985","0.0007","9.6099","0.0006","11.5412","0.0007","76.555","0.002","87.681","0.003","82.367","0.003","983.4","0.11","150","2","150","","","","","","","","","7","P 1","P 1","1","","22","","- C24 H38 B2 Co2 N16 O14 S2 -","- C24 H38 B2 Co2 N16 O14 S2 -","- C24 H38 B2 Co2 N16 O14 S2 -","1","1","","Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang","Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00196b","","","0.71073","MoKα","","0.0583","0.0435","","","0.1003","0.1116","","","","","","1.069","","","","has coordinates","281852","2023-03-13","23:59:09",""
"7712601","9.6192","0.0002","33.468","0.0007","10.6609","0.0003","90","","115.105","0.001","90","","3107.89","0.13","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4.48 H3.92 B0.16 K0.16 N0.64 Ni0.32 O1.92 -","- C4.48 H3.92 B0.16 K0.16 N0.64 Ni0.32 O1.92 -","- C112 H98 B4 K4 N16 Ni8 O48 -","25","12.5","","Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang","Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00196b","","","0.71073","MoKα","","0.0519","0.0472","","","0.1085","0.1117","","","","","","1.113","","","","has coordinates","281852","2023-03-13","23:59:10",""
"7712602","11.276","0.0012","14.8557","0.0015","25.6","0.003","89.775","0.004","84.127","0.004","67.815","0.004","3947.2","0.8","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C4.29 H4.29 B0.1 Mn0.1 N0.57 O0.29 -","- C4.28571 H4.28571 B0.0952381 Mn0.0952381 N0.571429 O0.285714 -","- C180 H180 B4 Mn4 N24 O12 -","42","21","","Das, Sandip; C S, Akshaya Keerthi; kulbir, Kulbir; Singh, Shivangi; Roy, Soumik; Singh, Raman; Ghosh, Somnath; Kumar, Pankaj","Exploring the Nitric Oxide Dioxygenation (NOD) Reactions of Manganese-peroxo Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00159H","","","0.71073","MoKα","","0.0807","0.0732","","","0.2022","0.2062","","","","","","1.105","","","","has coordinates","281853","2023-03-14","00:00:00",""
"7712603","16.5034","0.001","11.0969","0.0007","22.2792","0.0013","90","","106.045","0.002","90","","3921.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 B Cl0.18 Mn N5.82 O3 -","- C43 H49 B Cl0.18 Mn N5.82 O3 -","- C172 H196 B4 Cl0.72 Mn4 N23.28 O12 -","4","1","","Das, Sandip; C S, Akshaya Keerthi; kulbir, Kulbir; Singh, Shivangi; Roy, Soumik; Singh, Raman; Ghosh, Somnath; Kumar, Pankaj","Exploring the Nitric Oxide Dioxygenation (NOD) Reactions of Manganese-peroxo Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00159H","","","0.71073","MoKα","","0.0386","0.0353","","","0.0885","0.0915","","","","","","1.026","","","","has coordinates,has disorder","281853","2023-03-14","00:00:00",""
"7712604","9.2325","0.0001","33.2718","0.0005","10.5777","0.0002","90","","90","","90","","3249.28","0.09","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H44 Co N6 O8 -","- C26 H44 Co N6 O8 -","- C104 H176 Co4 N24 O32 -","4","1","","Akhter, Suffora; Khursheed, Salman; Arjmand, Farukh; Tabassum, Sartaj","Potential-bioactive revelation of water-soluble Boc-L-Valine and Imidazole appended metal complexes {M = Co(II), Cu(II) & Zn(II)}: Synthesis, characterization, ct-DNA binding, pBR322 cleavage, SOD mimetic and cytotoxicity studies","Dalton Transactions","2023","","","","","10.1039/D2DT03647A","","","0.71073","MoKα","","0.0553","0.0374","","","0.0877","0.0956","","","","","","1.068","","","","has coordinates","281854","2023-03-14","00:00:59",""
"7712605","9.4735","0.0001","32.9082","0.0006","10.5219","0.0002","90","","90","","90","","3280.26","0.09","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H44 Cu N6 O8 -","- C26 H44 Cu N6 O8 -","- C104 H176 Cu4 N24 O32 -","4","1","","Akhter, Suffora; Khursheed, Salman; Arjmand, Farukh; Tabassum, Sartaj","Potential-bioactive revelation of water-soluble Boc-L-Valine and Imidazole appended metal complexes {M = Co(II), Cu(II) & Zn(II)}: Synthesis, characterization, ct-DNA binding, pBR322 cleavage, SOD mimetic and cytotoxicity studies","Dalton Transactions","2023","","","","","10.1039/D2DT03647A","","","0.71073","MoKα","","0.0558","0.0404","","","0.0923","0.0995","","","","","","1.072","","","","has coordinates","281854","2023-03-14","00:01:00",""
"7712606","9.1857","0.0002","33.2856","0.001","10.6487","0.0003","90","","90","","90","","3255.86","0.15","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H44 N6 O8 Zn -","- C26 H44 N6 O8 Zn -","- C104 H176 N24 O32 Zn4 -","4","1","","Akhter, Suffora; Khursheed, Salman; Arjmand, Farukh; Tabassum, Sartaj","Potential-bioactive revelation of water-soluble Boc-L-Valine and Imidazole appended metal complexes {M = Co(II), Cu(II) & Zn(II)}: Synthesis, characterization, ct-DNA binding, pBR322 cleavage, SOD mimetic and cytotoxicity studies","Dalton Transactions","2023","","","","","10.1039/D2DT03647A","","","0.71073","MoKα","","0.0874","0.0431","","","0.0831","0.094","","","","","","1.051","","","","has coordinates","281854","2023-03-14","00:01:00",""
"7712607","9.8053","0.0002","15.594","0.0003","13.0691","0.0003","90","","95.514","0.001","90","","1989.07","0.07","112","","112","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","UTD100","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C84 H76 Cu4 N12 O20 -","4","1","","Abbas, Muhammad; Maceda, Amanda M.; Xiao, Zhifeng; Zhou, Hong-Cai; Balkus, Jr, Kenneth J","Transformation of a copper-based metal-organic polyhedron into a mixed linker MOF for CO<sub>2</sub> capture.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04162f","","x-ray","0.71073","MoKα","","0.0414","0.0291","","","0.0735","0.0795","","","","","","1.023","","","","has coordinates,has disorder","281876","2023-03-14","23:59:45",""
"7712608","10.409","0.002","13.542","0.003","12.252","0.002","90","","95.906","0.003","90","","1717.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Bi I9 N3 -","- C18 H21 Bi I9 N3 -","- C36 H42 Bi2 I18 N6 -","2","0.5","","Li, Ao; Wu, Mengling; Zhang, Junle; Song, Fahui; Pan, Fangfang","Halogen Bonds Regulating Structures and Optical Properties of Hybrid Iodobismuthate Perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT00210A","","","0.71073","MoKα","","0.0307","0.0274","","","0.0638","0.0652","","","","","","1.132","","","","has coordinates,has disorder","281877","2023-03-15","00:00:17",""
"7712609","7.7329","0.0016","10.364","0.002","11.706","0.002","70.549","0.003","81.104","0.003","88.664","0.003","873.6","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12.5 H16 Bi2 I10 N2 O0.5 -","- C12.5 H16 Bi2 I10 N2 O0.5 -","- C12.5 H16 Bi2 I10 N2 O0.5 -","1","0.5","","Li, Ao; Wu, Mengling; Zhang, Junle; Song, Fahui; Pan, Fangfang","Halogen Bonds Regulating Structures and Optical Properties of Hybrid Iodobismuthate Perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT00210A","","","0.71073","MoKα","","0.0583","0.038","","","0.0975","0.1064","","","","","","0.997","","","","has coordinates,has disorder","281877","2023-03-15","00:00:18",""
"7712610","11.3448","0.0006","11.6706","0.0006","12.9045","0.0007","114.425","0.002","93.168","0.002","91.062","0.002","1551.67","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 Ag3 I6 N5 O2 -","- C19 H20 Ag3 I6 N5 O2 -","- C38 H40 Ag6 I12 N10 O4 -","2","1","","Leng, Feng; Zhang, Xiao; Yu, Jie-Hui","Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5127","5140","10.1039/d2dt03589h","","","0.71073","MoKα","","0.0478","0.0463","","","0.1203","0.1215","","","","","","1.097","","","","has coordinates","283311","2023-05-05","02:21:27",""
"7712611","19.4682","0.0007","22.7439","0.0007","8.0177","0.0003","90","","90","","90","","3550.1","0.2","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H28 Cu3 I6 N5 O2 -","- C23 H23 Cu3 I6 N5 O2 -","- C92 H92 Cu12 I24 N20 O8 -","4","0.5","","Leng, Feng; Zhang, Xiao; Yu, Jie-Hui","Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5127","5140","10.1039/d2dt03589h","","","0.71073","MoKα","","0.0519","0.0494","","","0.1505","0.1537","","","","","","1.094","","","","has coordinates","283311","2023-05-05","02:21:29",""
"7712612","19.595","0.002","22.8721","0.0017","8.1757","0.0007","90","","90","","90","","3664.2","0.6","257","2","257","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H28 Ag3 I6 N5 O2 -","- C23 H21 Ag3 I6 N5 O2 -","- C92 H84 Ag12 I24 N20 O8 -","4","0.5","","Leng, Feng; Zhang, Xiao; Yu, Jie-Hui","Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5127","5140","10.1039/d2dt03589h","","","0.71073","MoKα","","0.0947","0.0865","","","0.2282","0.2349","","","","","","1.106","","","","has coordinates","283311","2023-05-05","02:21:39",""
"7712613","9.0144","0.0005","11.7278","0.0006","16.6925","0.0009","78.374","0.002","75.527","0.002","75.996","0.002","1639.14","0.15","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 I12 N10 O4 Pb3 -","- C38 H40 I12 N10 O4 Pb3 -","- C38 H40 I12 N10 O4 Pb3 -","1","0.5","","Leng, Feng; Zhang, Xiao; Yu, Jie-Hui","Photocatalytic properties of iodometallates with <i>in situ</i>-generated organic bases as countercations.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5127","5140","10.1039/d2dt03589h","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","283311","2023-05-05","02:21:39",""
"7712614","15.7091","0.0003","15.5322","0.0003","8.0832","0.0002","90","","90","","90","","1972.28","0.07","295","2","295.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C64 H72 B40 N8 -","4","0.5","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","1.54184","CuKα","","0.0559","0.0489","","","0.1335","0.1413","","","","","","1.047","","","","has coordinates","281879","2023-03-15","00:02:42",""
"7712615","9.183","0.006","9.523","0.008","10.047","0.009","99.63","0.04","116.1","0.03","98.13","0.04","754.6","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C40 H24 N4 -","2","1","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","0.71073","MoKα","","0.0785","0.0439","","","0.109","0.1225","","","","","","1.052","","","","has coordinates","281879","2023-03-15","00:02:43",""
"7712616","8.1494","0.0006","10.096","0.0008","12.6685","0.0009","104.041","0.002","91.846","0.002","108.764","0.003","950.51","0.12","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C32 H36 B20 N4 -","2","1","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","0.71073","MoKα","","0.0555","0.0426","","","0.1091","0.1156","","","","","","1.032","","","","has coordinates","281879","2023-03-15","00:02:43",""
"7712617","14.0009","0.0003","12.7944","0.0002","10.7411","0.0002","90","","97.2876","0.0017","90","","1908.54","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B10 N2 -","- C16 H18 B10 N2 -","- C64 H72 B40 N8 -","4","1","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","1.54184","CuKα","","0.0462","0.0408","","","0.1094","0.1125","","","","","","1.057","","","","has coordinates","281879","2023-03-15","00:02:43",""
"7712618","8.774","0.006","9.536","0.006","18.164","0.012","90","","97.18","0.04","90","","1507.8","1.7","296.15","","296.15","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","0.5","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","0.71073","MoKα","","0.0713","0.0424","","","0.0967","0.1078","","","","","","1.036","","","","has coordinates","281879","2023-03-15","00:02:43",""
"7712619","6.6133","0.0005","11.0336","0.0009","12.9024","0.0011","90","","97.338","0.005","90","","933.76","0.13","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Br N3 -","- C6 H16 Br N3 -","- C24 H64 Br4 N12 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","1.54178","CuKα","","0.0385","0.029","","","0.0657","0.07","","","","","","1.033","","","","has coordinates","281880","2023-03-15","00:04:43",""
"7712620","12.6519","0.0018","7.618","0.0011","15.904","0.002","90","","90.87","0.003","90","","1532.7","0.4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 Cl3 N3 Y -","- C9 H21 Cl3 N3 Y -","- C36 H84 Cl12 N12 Y4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0738","0.0521","","","0.1279","0.1458","","","","","","1.098","","","","has coordinates","281880","2023-03-15","00:04:43",""
"7712621","17.308","0.004","8.404","0.002","13.853","0.003","90","","90","","90","","2015","0.8","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H29 I2 N3 O Sm -","- C13 H29 I2 N3 O Sm -","- C52 H116 I8 N12 O4 Sm4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.1029","0.0506","","","0.0489","0.0563","","","","","","0.985","","","","has coordinates,has disorder","281880","2023-03-15","00:04:43",""
"7712622","11.9427","0.0007","11.9427","0.0007","10.5184","0.0006","90","","90","","120","","1299.23","0.13","133","2","133","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C12 H30 Cl3 La N6 -","- C12 H30 Cl3 La N6 -","- C24 H60 Cl6 La2 N12 -","2","0.166667","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0124","0.0118","","","0.0315","0.0317","","","","","","1.111","","","","has coordinates","281880","2023-03-15","00:04:43",""
"7712623","10.488","0.0009","23.4369","0.0019","19.8069","0.0016","90","","92.0522","0.0014","90","","4865.5","0.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 F12 La N9 O12 S4 -","- C29 H54 F12 La N9 O12 S4 -","- C116 H216 F48 La4 N36 O48 S16 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0649","0.039","","","0.0705","0.0771","","","","","","1.009","","","","has coordinates","281880","2023-03-15","00:04:44",""
"7712624","16.0712","0.0013","10.0909","0.0008","13.2624","0.001","90","","90","","90","","2150.8","0.3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H29 I3 La N3 O -","- C13 H29 I3 La N3 O -","- C52 H116 I12 La4 N12 O4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0493","0.0397","","","0.0837","0.0872","","","","","","1.021","","","","has coordinates","281880","2023-03-15","00:04:44",""
"7712625","7.5589","0.0005","13.5752","0.0009","20.015","0.0013","90","","90","","90","","2053.8","0.2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 Cl3 N3 O2 Y -","- C14 H31 Cl3 N3 O2 Y -","- C56 H124 Cl12 N12 O8 Y4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0224","0.0188","","","0.0372","0.0377","","","","","","0.958","","","","has coordinates","281880","2023-03-15","00:04:44",""
"7712626","15.371","0.005","15.387","0.005","18.158","0.006","90","","93.231","0.005","90","","4288","2","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H80 F24 La4 N12 O30 S8 -","- C40 H80 F24 La4 N12 O30 S8 -","- C80 H160 F48 La8 N24 O60 S16 -","2","0.5","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0594","0.0394","","","0.0999","0.1122","","","","","","1.062","","","","has coordinates","281880","2023-03-15","00:04:44",""
"7712627","10.305","0.009","11.359","0.008","14.28","0.013","92.49","0.02","100.62","0.03","99.13","0.02","1618","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H34 B2 Co F8 N4 P -","- C31 H34 B2 Co F8 N4 P -","- C62 H68 B4 Co2 F16 N8 P2 -","2","1","","García-Abellán, Susana; Barrena-Espés, Daniel; Munarriz, Julen; Passarelli, Vincenzo; Iglesias, Manuel","Cobalt-catalysed nucleophilic fluorination in organic carbonates","Dalton Transactions","2023","","","","","10.1039/D3DT00731F","","","0.71073","MoKα","","0.0695","0.0602","","","0.1549","0.1618","","","","","","1.054","","","","has coordinates","281881","2023-03-15","00:05:52",""
"7712628","8.2892","0.0003","9.5653","0.0003","9.7954","0.0003","61.1868","0.0009","83.7127","0.0011","85.3326","0.0011","676.05","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H14 Cu2 I3 N -","- C5 H14 Cu2 I3 N -","- C10 H28 Cu4 I6 N2 -","2","1","","Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming","A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism","Dalton Transactions","2023","","","","","10.1039/D3DT00650F","","","0.71073","MoKα","","0.0603","0.0467","","","0.1147","0.1271","","","","","","1.069","","","","has coordinates","281896","2023-03-15","23:57:13",""
"7712629","8.3123","0.0006","17.2607","0.0014","9.8344","0.0008","90","","94.641","0.002","90","","1406.38","0.19","360","2","360","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Cu2 I3 N -","- C5 H14 Cu2 I3 N -","- C20 H56 Cu8 I12 N4 -","4","1","","Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming","A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism","Dalton Transactions","2023","","","","","10.1039/D3DT00650F","","","0.71073","MoKα","","0.0911","0.0586","","","0.1535","0.1779","","","","","","1.063","","","","has coordinates","281896","2023-03-15","23:57:13",""
"7712630","8.3199","0.0008","17.3332","0.0017","9.877","0.001","90","","94.569","0.003","90","","1419.8","0.2","400","2","400","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Cu2 I3 N -","- C5 H14 Cu2 I3 N -","- C20 H56 Cu8 I12 N4 -","4","1","","Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming","A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism","Dalton Transactions","2023","","","","","10.1039/D3DT00650F","","","0.71073","MoKα","","0.0889","0.0539","","","0.1426","0.1692","","","","","","1.05","","","","has coordinates","281896","2023-03-15","23:57:13",""
"7712631","8.3083","0.0006","9.6704","0.0007","9.9142","0.0006","60.925","0.002","83.001","0.002","85.12","0.002","690.68","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H14 Cu2 I3 N -","- C5 H14 Cu2 I3 N -","- C10 H28 Cu4 I6 N2 -","2","1","","Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming","A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism","Dalton Transactions","2023","","","","","10.1039/D3DT00650F","","","0.71073","MoKα","","0.0842","0.0791","","","0.2173","0.2237","","","","","","1.088","","","","has coordinates","281896","2023-03-15","23:57:13",""
"7712632","18.7355","0.001","11.1267","0.0005","5.0897","0.0003","90","","90","","90","","1061.02","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trilithium silicon dioxonitride","","","- Eu0.012 Li2.989 N O2 Si -","- Eu0.0129 Li2.9871 N O2 Si -","- Eu0.2064 Li47.7936 N16 O32 Si16 -","16","2","","Rießbeck, Kilian Max; Wimmer, Daniel Sebastian; Seibald, Markus; Baumann, Dominik; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert","Polymorphism and polymorph-dependent luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2+","Dalton Transactions","2023","","","","","10.1039/D2DT03921D","","x-ray","0.71073","MoKα","","0.0667","0.038","","","0.0778","0.0876","","","","1.31","1.31","1.18","","","","has coordinates","281897","2023-03-15","23:57:43",""
"7712633","9.4934","0.0004","12.766","0.0004","15.1031","0.0006","75.989","0.003","80.082","0.003","71.663","0.003","1676.56","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H26 Co N5 O8 -","- C39 H26 Co N5 O8 -","- C78 H52 Co2 N10 O16 -","2","1","","Mandal, Sukhendu; Nath, Akashdeep; Gaikwad, Diti","Mechanistic Insight into Pb2+ and Hg2+ Ions Sensing using Cobalt-based Coordination Polymer in Aqueous Phase","Dalton Transactions","2023","","","","","10.1039/D3DT00479A","","","1.54184","CuKα","","0.068","0.0622","","","0.1685","0.1728","","","","","","1.062","","","","has coordinates","281898","2023-03-15","23:58:07",""
"7712634","21.6281","0.0011","9.4437","0.0004","19.2876","0.0009","90","","114.108","0.001","90","","3595.9","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","RuDTolP(CO)H2O","aqua-[5,15-bis(4-methylphenyl)porphyrinato]-carbonyl-ruthenium chloroform solvate","","- C37 H26 Cl6 N4 O2 Ru -","- C37 H26 Cl6 N4 O2 Ru -","- C148 H104 Cl24 N16 O8 Ru4 -","4","0.5","","Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.","Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster","Dalton Transactions","2023","","","","","10.1039/D3DT00251A","","x-ray","0.71073","MoKα","","0.0616","0.0382","","","0.0831","0.0902","","","","","","1.033","","","","has coordinates,has disorder","281899","2023-03-15","23:59:39",""
"7712635","15.1883","0.0004","15.1883","0.0004","85.428","0.004","90","","90","","120","","17066.7","1","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C41.5 H29 Cl4.49 D1.16 N5 O Ru -","- C41.4967 H29 Cl4.49007 D1.16333 N5 O Ru -","- C746.941 H522 Cl80.8212 D20.94 N90 O18 Ru18 -","18","0.5","","Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.","Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster","Dalton Transactions","2023","","","","","10.1039/D3DT00251A","","","0.71073","MoKα","","0.0768","0.0637","","","0.1614","0.1712","","","","","","1.102","","","","has coordinates,has disorder","281899","2023-03-15","23:59:41",""
"7712636","27.408","0.006","27.031","0.005","22.388","0.005","90","","108.56","0.03","90","","15724","6","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","CP6","","","- C246 H168 I8 Mo6 N30 O18 Ru6 -","- C246 H168 I8 Mo6 N30 O18 Ru6 -","- C492 H336 I16 Mo12 N60 O36 Ru12 -","2","0.25","","Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.","Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster","Dalton Transactions","2023","","","","","10.1039/D3DT00251A","","","0.745","synchrotron","","0.1074","0.0618","","","0.1813","0.2134","","","","","","1.035","","","","has coordinates","281899","2023-03-15","23:59:42",""
"7712637","21.1183","0.0007","22.5011","0.0007","24.4219","0.0008","110.271","0.001","109.489","0.001","99.204","0.001","9751.6","0.6","140","2","140","2","","","","","","","","8","P -1","-P 1","2","CP6+2","","","- C360 H292 D24 I8 Mo6 N40 O26 Ru8 -","- C360 H286 D24 I8 Mo6 N40 O26 Ru8 -","- C360 H286 D24 I8 Mo6 N40 O26 Ru8 -","1","0.5","","Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.","Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster","Dalton Transactions","2023","","","","","10.1039/D3DT00251A","","","0.71073","MoKα","","0.1381","0.0778","","","0.2133","0.2748","","","","","","1.041","","","","has coordinates","281899","2023-03-15","23:59:42",""
"7712638","16.225","0.0006","24.0393","0.001","25.4474","0.001","90","","90","","90","","9925.4","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51.5 H70 N4 P S -","- C45 H59 N4 P S -","- C360 H472 N32 P8 S8 -","8","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0802","0.0566","","","0.1536","0.1659","","","","","","1.014","","","","has coordinates,has disorder","281900","2023-03-16","00:02:46",""
"7712639","8.5632","0.0002","12.1933","0.0003","18.6985","0.0004","94.188","0.002","101.343","0.002","104.459","0.002","1838.21","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 N4 P Se -","- C39 H47 N4 P Se -","- C78 H94 N8 P2 Se2 -","2","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.082","0.0502","","","0.1069","0.115","","","","","","1.037","","","","has coordinates,has disorder","281900","2023-03-16","00:02:47",""
"7712640","16.5351","0.0004","11.726","0.0003","17.1772","0.0005","90","","102.702","0.002","90","","3248.99","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al N4 P Se -","- C31 H48 Al N4 P Se -","- C124 H192 Al4 N16 P4 Se4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0451","0.0351","","","0.0884","0.0916","","","","","","1.1","","","","has coordinates","281900","2023-03-16","00:02:47",""
"7712641","8.446","0.006","12.251","0.009","18.836","0.015","94.52","0.03","100.34","0.02","105","0.03","1836","2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 N4 P S -","- C39 H47 N4 P S -","- C78 H94 N8 P2 S2 -","2","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.1298","0.0667","","","0.154","0.1821","","","","","","1.023","","","","has coordinates,has disorder","281900","2023-03-16","00:02:47",""
"7712642","13.8759","0.0006","11.9","0.0005","27.3412","0.001","90","","94.265","0.001","90","","4502.2","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Al N4 P S -","- C41 H52 Al N4 P S -","- C164 H208 Al4 N16 P4 S4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.1091","0.0599","","","0.1526","0.1739","","","","","","1.014","","","","has coordinates","281900","2023-03-16","00:02:47",""
"7712643","10.1884","0.001","17.2889","0.0019","22.976","0.003","90","","91.623","0.003","90","","4045.5","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Al N5 P Se -","- C40 H52 Al N5 P Se -","- C160 H208 Al4 N20 P4 Se4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0507","0.0352","","","0.0848","0.0937","","","","","","1.033","","","","has coordinates","281900","2023-03-16","00:02:48",""
"7712644","13.8855","0.0006","15.1007","0.0006","14.1929","0.0007","90","","92.918","0.002","90","","2972.1","0.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N4 P S -","- C29 H41 N4 P S -","- C116 H164 N16 P4 S4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0906","0.0598","","","0.1493","0.1666","","","","","","1.039","","","","has coordinates,has disorder","281900","2023-03-16","00:02:48",""
"7712645","13.9301","0.0005","15.0618","0.0006","14.1789","0.0006","90","","93.56","0.004","90","","2969.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 N4 P Se -","- C29 H43 N4 P Se -","- C116 H172 N16 P4 Se4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.1092","0.0609","","","0.1103","0.1207","","","","","","1.093","","","","has coordinates,has disorder","281900","2023-03-16","00:02:49",""
"7712646","14.0131","0.0006","16.1376","0.0007","22.0541","0.001","90","","101.734","0.004","90","","4883","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 N4 P Se -","- C45 H59 N4 P Se -","- C180 H236 N16 P4 Se4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0792","0.0459","","","0.1225","0.1346","","","","","","1.075","","","","has coordinates,has disorder","281900","2023-03-16","00:02:49",""
"7712647","10.5605","0.0005","20.337","0.001","21.8728","0.0009","90","","90","","90","","4697.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H64 Al N4 P Se -","- C47 H64 Al N4 P Se -","- C188 H256 Al4 N16 P4 Se4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0818","0.0466","","","0.0776","0.0838","","","","","","1.015","","","","has coordinates","281900","2023-03-16","00:02:49",""
"7712648","10.6056","0.0004","20.2557","0.0007","21.7565","0.0007","90","","90","","90","","4673.8","0.3","293","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H64 Al N4 P S -","- C47 H64 Al N4 P S -","- C188 H256 Al4 N16 P4 S4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0496","0.0375","","","0.0862","0.0905","","","","","","1.022","","","","has coordinates","281900","2023-03-16","00:02:49",""
"7712649","7.1302","0.0003","21.6783","0.0009","20.4145","0.0009","90","","106.432","0.002","90","","3026.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al B7 Cs3 Li O14 -","- Al B7 Cs3 Li O14 -","- Al8 B56 Cs24 Li8 O112 -","8","2","","Li, Xingqi; Chu, Dongdong; Qiu, Haotian; Wu, Yabo; Hou, Xueling","LiCs<sub>3</sub>AlB<sub>7</sub>O<sub>14</sub>: achieving enhanced optical anisotropy <i>via</i> [AlO<sub>4</sub>] tetrahedron introduction to rearrange the anionic framework.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00401e","","","0.71073","MoKα","","0.066","0.0423","","","0.0736","0.0876","","","","","","1.065","","","","has coordinates,has disorder","281901","2023-03-16","00:04:06",""
"7712650","16.6123","0.0005","16.6936","0.0006","16.7212","0.0006","118.127","0.004","90.188","0.003","108.145","0.003","3823.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N6 O13 Zn3 -","- C64 H48 N6 O13 Zn3 -","- C128 H96 N12 O26 Zn6 -","2","1","","Zhu, Zi-Yi; Wang, Zirui; Li, Qiao-Hong; Ma, Zhi-Zhou; Wang, Fei; Zhang, Jian","Porphyrin Metal-Organic Frameworks with Bilayer and Pillar-layered Frameworks for Third-order Nonlinear Optical Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00440F","","x-ray","1.54184","CuKα","","0.063","0.0547","","","0.1514","0.1595","","","","","","0.799","","","","has coordinates","281938","2023-03-17","23:56:09",""
"7712651","23.5128","0.0004","23.5272","0.0003","18.2894","0.0003","90","","96.728","0.002","90","","10047.8","0.3","99.99","0.13","99.99","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H34 N8 O8 Zn3 -","- C64 H34 N8 O8 Zn3 -","- C256 H136 N32 O32 Zn12 -","4","0.5","","Zhu, Zi-Yi; Wang, Zirui; Li, Qiao-Hong; Ma, Zhi-Zhou; Wang, Fei; Zhang, Jian","Porphyrin Metal-Organic Frameworks with Bilayer and Pillar-layered Frameworks for Third-order Nonlinear Optical Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00440F","","x-ray","1.3405","GaKα","","0.0872","0.0815","","","0.2274","0.2327","","","","","","1.055","","","","has coordinates","281938","2023-03-17","23:56:09",""
"7712652","13.7889","0.0006","13.7889","0.0006","9.3461","0.0007","90","","90","","120","","1538.94","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","CsHg4Ga5Se12","","","- Ga5 Hg4 Rb S12 -","- Ga5.0001 Hg3.9999 Rb S12 -","- Ga15.0003 Hg11.9997 Rb3 S36 -","3","0.333333","","Lou, Xiao-Yu; Zhou, Yu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Open Honeycomb Frameworks of Sulphides AHg4Ga5S12 (A = Rb, Cs) Exhibiting Infrared Nonlinear Optical Properties","Dalton Transactions","2023","","","","","10.1039/D2DT03683E","","","0.71073","MoKα","","0.0319","0.0313","","","0.0594","0.0596","","","","","","1.032","","","","has coordinates","281941","2023-03-18","23:48:18",""
"7712653","13.8428","0.0005","13.8428","0.0005","9.3913","0.0006","90","","90","","120","","1558.49","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","CsHg4Ga5S12","","","- Cs Ga5 Hg4 S12 -","- Cs Ga4.9998 Hg3.9996 S12 -","- Cs3 Ga14.9994 Hg11.9988 S36 -","3","0.333333","","Lou, Xiao-Yu; Zhou, Yu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Open Honeycomb Frameworks of Sulphides AHg4Ga5S12 (A = Rb, Cs) Exhibiting Infrared Nonlinear Optical Properties","Dalton Transactions","2023","","","","","10.1039/D2DT03683E","","","0.71073","MoKα","","0.0301","0.0288","","","0.0643","0.0647","","","","","","1.004","","","","has coordinates","281941","2023-03-18","23:48:19",""
"7712654","10.4637","0.0005","16.3279","0.0007","6.8604","0.0003","90","","101.482","0.002","90","","1148.64","0.09","146","2","146","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N11 O6 -","- C4 H7 N11 O6 -","- C16 H28 N44 O24 -","4","1","","Jiang, Xiue; Yang, Yalin; Du, Huiying; Yang, Bo; Tang, Pengfei; Wu, Bo; Ma, Congming","Triazene Bridged Energetic Materials Based on Nitrotriazole: Synthesis, Characterization and Laser Ignited Combustion Performance","Dalton Transactions","2023","","","","","10.1039/D2DT04007G","","","0.71073","MoKα","","0.0376","0.0312","","","0.0855","0.089","","","","","","1.037","","","","has coordinates,has disorder","281942","2023-03-18","23:49:01",""
"7712655","12.0707","0.0005","7.3415","0.0003","18.2512","0.0007","90","","106.26","0.002","90","","1552.67","0.11","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H14 K6 N22 O15 -","- C8 H14 K6 N22 O15 -","- C16 H28 K12 N44 O30 -","2","0.5","","Jiang, Xiue; Yang, Yalin; Du, Huiying; Yang, Bo; Tang, Pengfei; Wu, Bo; Ma, Congming","Triazene Bridged Energetic Materials Based on Nitrotriazole: Synthesis, Characterization and Laser Ignited Combustion Performance","Dalton Transactions","2023","","","","","10.1039/D2DT04007G","","x-ray","1.34139","GaKα","","0.0681","0.0508","","","0.1312","0.1401","","","","","","1.045","","","","has coordinates,has disorder","281942","2023-03-18","23:49:01",""
"7712656","8.6324","0.0009","10.5581","0.0012","16.7354","0.0017","79.298","0.007","87.886","0.007","70.496","0.007","1412.2","0.3","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl N5 O Pd -","- C30 H22 Cl N5 O Pd -","- C60 H44 Cl2 N10 O2 Pd2 -","2","1","","Gümrükçü, Selin; Özçeşmeci, Mukaddes; Koçyiğit, Nilüfer; Kaya, Kerem; Gül, Ahmet; Şahin, Yücel; Özçeşmeci, İbrahim","Synthesis, fabrication and characterization of 2-naphthyloxy group-substituted bis(2-pyridylimino)isoindoline and its derivatives as a positive electrode for vanadium redox flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5265","5276","10.1039/d2dt03547b","","","0.71073","MoKα","","0.1901","0.0824","","","0.2033","0.2409","","","","","","1.097","","","","has coordinates","283310","2023-05-05","02:21:17",""
"7712657","6.3202","0.0003","10.3082","0.0005","19.4392","0.0009","82.097","0.002","83.015","0.002","79.848","0.002","1228.62","0.1","306","2","306","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C60 H46 N10 O2 -","2","1","","Gümrükçü, Selin; Özçeşmeci, Mukaddes; Koçyiğit, Nilüfer; Kaya, Kerem; Gül, Ahmet; Şahin, Yücel; Özçeşmeci, İbrahim","Synthesis, fabrication and characterization of 2-naphthyloxy group-substituted bis(2-pyridylimino)isoindoline and its derivatives as a positive electrode for vanadium redox flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","16","5265","5276","10.1039/d2dt03547b","","","0.71073","MoKα","","0.0715","0.0448","","","0.1111","0.1275","","","","","","1.049","","","","has coordinates","283310","2023-05-05","02:21:17",""
"7712658","11.1355","0.0002","17.8642","0.0003","19.5372","0.0004","105.416","0.002","99.45","0.002","106.518","0.002","3469.05","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H50.23 F3 N4 O7.11 Ru S -","- C27 H50.23 F3 N4 O7.115 Ru S -","- C108 H200.92 F12 N16 O28.46 Ru4 S4 -","4","2","","Liu, Tao; Pan, Chen; Shi, Huatian; Huang, Tao; Huang, Yong-Liang; Deng, Yang-Yang; Ni, Wen-Xiu; Man, Wai-Lun","Cytotoxic cis-ruthenium(III) bis(amidine) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00328K","","x-ray","1.54184","CuKα","","0.071","0.0591","","","0.1671","0.1744","","","","","","1.049","","","","has coordinates","281969","2023-03-22","00:04:11",""
"7712659","6.49535","0.00008","9.21284","0.00013","9.26081","0.00012","110.944","0.0007","101.365","0.0008","108.235","0.0008","460.795","0.012","298","","298","","","","","","","","","4","P -1","-P 1","2","Calcium Indium Oxide Phosphate","","","- Ca3.6 In3.6 O24 P6 -","- Ca3.6 In3.6 O24 P6 -","- Ca3.6 In3.6 O24 P6 -","1","0.5","","Wang, Rongrong; Zhang, Jing; Liu, Yijia; Li, Guihua; Cai, Gemei","Anti-thermal Quenching Phosphors Based on the New Phosphate Host Ca3.6In3.6(PO4)6","Dalton Transactions","2023","","","","","10.1039/D2DT03642H","powder diffraction","","1.5418","CuKα","","","","","","","","","4.31","","","","","","","","has coordinates","281989","2023-03-22","23:59:03",""
"7712660","7.401","0.0002","3.6508","0.00006","9.9938","0.0003","90","","108.874","0.0018","90","","255.51","0.011","293","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Fe1.392 Nb Te3 -","- Fe1.392 Nb Te3 -","- Fe2.784 Nb2 Te6 -","2","0.5","","Verchenko, Valeriy; Stepanova, Anna V.; Bogach, Alexey; Kirsanova, Maria; Shevelkov, Andrei V.","Cleavable crystals, crystal structure, and magnetic properties of the NbFe1+xTe3 layered van der Waals telluride","Dalton Transactions","2023","","","","","10.1039/D3DT00588G","powder diffraction","x-ray","1.5406","","","0.0466","0.0463","","0.0652","0.0652","","","","2.6","","","","","","","has coordinates","281990","2023-03-22","23:59:27",""
"7712661","6.4872","0.0013","14.511","0.003","21.904","0.004","90","","93.41","0.03","90","","2058.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H18 Be Br2 P2 -","- C6 H18 Be Br2 P2 -","- C36 H108 Be6 Br12 P12 -","6","1.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","1.54186","CuKα","","0.0483","0.0336","","","0.0894","0.0949","","","","","","0.986","","","","has coordinates","282029","2023-03-23","23:56:03",""
"7712662","6.4585","0.0004","13.3248","0.0011","9.9155","0.0009","90","","91.18","0.006","90","","853.13","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Be2 Br4 P2 -","- C6 H18 Be2 Br4 P2 -","- C12 H36 Be4 Br8 P4 -","2","0.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","0.71073","MoKα","","0.0488","0.0436","","","0.1148","0.1174","","","","","","0.987","","","","has coordinates","282029","2023-03-23","23:56:03",""
"7712663","12.59","0.003","16.31","0.003","14.45","0.003","90","","92.6","0.03","90","","2964.2","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H18 Be I2 P2 -","- C6 H18 Be I2 P2 -","- C48 H144 Be8 I16 P16 -","8","4","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","0.71073","MoKα","","0.0351","0.0323","","","0.0786","0.0802","","","","","","1.031","","","","has coordinates","282029","2023-03-23","23:56:03",""
"7712664","6.2043","0.0013","9.517","0.003","13.879","0.003","90","","100.175","0.017","90","","806.6","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Be2 Cl4 P2 -","- C6 H18 Be2 Cl4 P2 -","- C12 H36 Be4 Cl8 P4 -","2","0.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","x-ray","0.71073","MoKα","","0.1056","0.0918","","","0.2472","0.2604","","","","","","1.112","","","","has coordinates","282029","2023-03-23","23:56:03",""
"7712665","8.3749","0.0004","10.6551","0.0005","15.0815","0.0007","69.384","0.003","82.093","0.004","71.718","0.004","1195.48","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","non det.","Bis(tricyclohexyl)phosphine berylliumchloride","","- C48 H66 Be2 Cl4 D12 P2 -","- C48 H78 Be2 Cl4 P2 -","- C48 H78 Be2 Cl4 P2 -","1","0.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","0.71073","MoKα","","0.031","0.0273","","","0.0738","0.0758","","","","","","1.028","","","","has coordinates","282029","2023-03-23","23:56:04",""
"7712666","6.9935","0.0002","13.2512","0.0002","10.5272","0.0002","90","","96.498","0.002","90","","969.31","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Be2 I4 P2 -","- C6 H18 Be2 I4 P2 -","- C12 H36 Be4 I8 P4 -","2","0.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","1.54178","CuKα","","0.0576","0.0569","","","0.1543","0.1552","","","","","","1.092","","","","has coordinates","282029","2023-03-23","23:56:04",""
"7712667","9.5773","0.0019","10.134","0.002","10.971","0.002","95.17","0.03","110.54","0.03","90.53","0.03","992.1","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 Be2 Br4 P2 -","- C36 H66 Be2 Br4 P2 -","- C36 H66 Be2 Br4 P2 -","1","0.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","x-ray","0.71073","MoKα","","0.0572","0.0348","","","0.0809","0.0863","","","","","","1.007","","","","has coordinates","282029","2023-03-23","23:56:04",""
"7712668","12.8941","0.0018","14.241","0.002","16.718","0.002","102.523","0.009","105.847","0.009","106.974","0.009","2673.8","0.7","149.99","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 B F15 P2 -","- C61 H50 B F15 P2 -","- C122 H100 B2 F30 P4 -","2","1","","Kim, Hyehwang; Stephan, Douglas W.","Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines","Dalton Transactions","2023","","","","","10.1039/D3DT00607G","","","0.71073","MoKα","","0.1911","0.1309","","","0.3459","0.3844","","","","","","1.079","","","","has coordinates","282059","2023-03-24","23:55:15",""
"7712669","11.5413","0.0019","11.8581","0.0019","17.844","0.002","89.525","0.007","72.331","0.006","69.494","0.008","2166.3","0.6","186.82","","186.82","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H43 B F15 N P2 Si -","- C42 H43 B F15 N P2 Si -","- C84 H86 B2 F30 N2 P4 Si2 -","2","1","","Kim, Hyehwang; Stephan, Douglas W.","Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines","Dalton Transactions","2023","","","","","10.1039/D3DT00607G","","","0.71073","MoKα","","0.1015","0.0633","","","0.1621","0.1884","","","","","","1.027","","","","has coordinates","282059","2023-03-24","23:55:15",""
"7712670","12.0729","0.0007","16.071","0.0012","19.3022","0.0014","90","","90","","90","","3745.1","0.4","149.98","","149.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 B F15 N P2 -","- C37 H33 B F15 N P2 -","- C148 H132 B4 F60 N4 P8 -","4","1","","Kim, Hyehwang; Stephan, Douglas W.","Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines","Dalton Transactions","2023","","","","","10.1039/D3DT00607G","","","0.71073","MoKα","","0.0915","0.0507","","","0.0898","0.1052","","","","","","1.01","","","","has coordinates","282059","2023-03-24","23:55:16",""
"7712671","10.9807","0.0008","17.4205","0.0011","21.3172","0.0013","90","","90.842","0.003","90","","4077.3","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 B F15 N P -","- C45 H28 B F15 N P -","- C180 H112 B4 F60 N4 P4 -","4","1","","Kim, Hyehwang; Stephan, Douglas W.","Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines","Dalton Transactions","2023","","","","","10.1039/D3DT00607G","","","0.71073","MoKα","","0.0755","0.0455","","","0.1082","0.1296","","","","","","1.034","","","","has coordinates","282059","2023-03-24","23:55:16",""
"7712672","18.348","0.004","19.217","0.004","10.939","0.002","90","","90","","90","","3857","1.4","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C50 H70 Bi2 N4 -","- C50 H70 Bi2 N4 -","- C100 H140 Bi4 N8 -","2","0.25","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","","0.71073","MoKα","","0.0877","0.0839","","","0.2071","0.2102","","","","","","1.12","","","","has coordinates","282060","2023-03-24","23:56:57",""
"7712673","9.73","0.0019","12.096","0.002","12.68","0.003","117.21","0.03","90.85","0.03","101.57","0.03","1290.5","0.6","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 Bi2 N8 O2 -","- C64 H52 Bi2 N8 O2 -","- C64 H52 Bi2 N8 O2 -","1","0.5","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","","0.71073","Synchrotron","","0.0375","0.0346","","","0.0894","0.0909","","","","","","1.08","","","","has coordinates,has disorder","282060","2023-03-24","23:56:58",""
"7712674","11.32528","0.00013","12.25378","0.00012","12.54848","0.00012","105.988","0.0009","106.563","0.001","102.577","0.0009","1519.42","0.03","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H70 Bi2 F10 N4 -","- C62 H70 Bi2 F10 N4 -","- C62 H70 Bi2 F10 N4 -","1","0.5","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","x-ray","0.71073","MoKα","","0.0297","0.0242","","","0.0557","0.057","","","","","","1.087","","","","has coordinates","282060","2023-03-24","23:56:58",""
"7712675","10.98","0.002","12.58","0.003","21.13","0.004","73.17","0.03","77.93","0.03","70.19","0.03","2608.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Bi F5 N4 -","- C56 H70 Bi F5 N4 -","- C112 H140 Bi2 F10 N8 -","2","1","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","","0.71073","Synchrotron","","0.0235","0.0214","","","0.0511","0.052","","","","","","1.042","","","","has coordinates,has disorder","282060","2023-03-24","23:56:58",""
"7712676","11.02","0.002","19.18","0.004","14.34","0.003","90","","97.09","0.03","90","","3007.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 F4 N2 O0.5 -","- C33 H40 F4 N2 O0.5 -","- C132 H160 F16 N8 O2 -","4","1","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","","0.71073","Synchrotron","","0.0501","0.0456","","","0.1234","0.1285","","","","","","1.023","","","","has coordinates,has disorder","282060","2023-03-24","23:56:58",""
"7712677","12.0787","0.0002","13.8725","0.0002","33.8375","0.0005","90","","92.956","0.001","90","","5662.33","0.15","123","0.12","123","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H86 F N4 O Pr -","- C61 H86 F N4 O Pr -","- C244 H344 F4 N16 O4 Pr4 -","4","1","","Guo, Zhifang; Deacon, Glen B.; Junk, Peter Courtney","Never a dull moment with praseodymium metal","Dalton Transactions","2023","","","","","10.1039/D3DT00534H","","x-ray","0.71073","MoKα","","0.053","0.0328","","","0.0722","0.0772","","","","","","1.047","","","","has coordinates,has disorder","282060","2023-03-24","23:56:59",""
"7712678","13.1143","0.0002","18.5283","0.0002","38.6732","0.0005","90","","90","","90","","9397","0.2","293.15","","293.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","znpypod","","- C66 H106 Cl9 N22 Na O30 Zn4 -","- C66 H106 Cl9 N22 Na O30 Zn4 -","- C264 H424 Cl36 N88 Na4 O120 Zn16 -","4","0.5","","Gonzalez, Jorge; Galiana, Carolina; Dea-Ayuela, M. Auxiliadora; Radic Stojkovic, Marijana; López-Molina, Sonia; Galiana-Rosello, Cristina; Blasco, Salvador; Piantanida, Ivo; García-España, Enrique","Impact of the Zinc complexation of polytopic polyaza ligands on the interaction with double and single stranded DNA/RNA and antimicrobial activity","Dalton Transactions","2023","","","","","10.1039/D3DT00395G","","","0.71073","MoKα","","0.1386","0.0669","","","0.1978","0.2313","","","","","","1.045","","","","has coordinates","282082","2023-03-27","22:56:49",""
"7712679","27.3381","0.0003","25.0406","0.0003","29.0012","0.0003","90","","90.371","0.001","90","","19852.7","0.4","200","0.1","200","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C188 H484 Eu4 Ge36 I4 O20 Si48 -","- C188 H484 Eu3.998 Ge36 I4 O20 Si48 -","- C376 H968 Eu7.996 Ge72 I8 O40 Si96 -","2","0.5","","Klementyeva, Svetlana; Schrenk, Claudio; Zhang, Minghui; Khusniyarov, Marat M.","Metalloid germanium cluster shears for lanthanide diiodides","Dalton Transactions","2023","","","","","10.1039/D3DT00578J","","x-ray","0.71073","MoKα","","0.0965","0.0696","","","0.1704","0.1836","","","","","","1.022","","","","has coordinates","282083","2023-03-27","22:58:16",""
"7712680","14.1512","0.0008","24.1678","0.0014","25.8345","0.0015","90","","93.373","0.002","90","","8820.2","0.9","150","","150","","","","","","","","thf","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H226 Ge18 I2 O8 Si24 Yb2 -","- C86 H226 Ge18 I2 O8 Si24 Yb2 -","- C172 H452 Ge36 I4 O16 Si48 Yb4 -","2","0.5","","Klementyeva, Svetlana; Schrenk, Claudio; Zhang, Minghui; Khusniyarov, Marat M.","Metalloid germanium cluster shears for lanthanide diiodides","Dalton Transactions","2023","","","","","10.1039/D3DT00578J","","x-ray","0.71073","MoKα","","0.0765","0.0421","","","0.0964","0.1123","","","","","","1.016","","","","has coordinates,has disorder","282083","2023-03-27","22:58:17",""
"7712681","27.108","0.003","24.796","0.002","28.655","0.003","90","","90.138","0.003","90","","19261","3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C196 H500 Ge36 I4 O22 Si48 Sm4 -","- C196 H500 Ge36 I4 O22 Si48 Sm4 -","- C392 H1000 Ge72 I8 O44 Si96 Sm8 -","2","0.5","","Klementyeva, Svetlana; Schrenk, Claudio; Zhang, Minghui; Khusniyarov, Marat M.","Metalloid germanium cluster shears for lanthanide diiodides","Dalton Transactions","2023","","","","","10.1039/D3DT00578J","","x-ray","0.71073","MoKα","","0.1028","0.0678","","","0.1536","0.1773","","","","","","1.029","","","","has coordinates,has disorder","282083","2023-03-27","22:58:17",""
"7712682","45.845","0.014","13.759","0.004","26.417","0.008","90","","107.426","0.003","90","","15899","8","153","","153","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cd2 Cl4 N8 O8 -","- C48 H52 Cd2 Cl4 N8 O8 -","- C576 H624 Cd24 Cl48 N96 O96 -","12","1.5","","Mikata, Yuji; Tanaka, Marin; Yasuda, Saori; Tsuruta, Aya; Hagiwara, Taeka; Konno, Hideo; Matsuo, Takashi","Effect of methoxy substituents on fluorescent Zn2+/Cd2+ selectivity of bisquinoline derivatives with a N,N’-dimethylalkanediamine skeleton","Dalton Transactions","2023","","","","","10.1039/D3DT00597F","","","0.71075","MoKα","","0.0643","0.0543","","","0.1465","0.1588","","","","","","1.064","","","","has coordinates","282097","2023-03-28","22:59:12",""
"7712683","30.1327","0.0013","30.1327","0.0013","14.7905","0.0007","90","","90","","120","","11630.3","0.9","153","","153","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C24 H26 Cl2 N4 O4 Zn -","- C24 H26 Cl2 N4 O4 Zn -","- C432 H468 Cl36 N72 O72 Zn18 -","18","1","","Mikata, Yuji; Tanaka, Marin; Yasuda, Saori; Tsuruta, Aya; Hagiwara, Taeka; Konno, Hideo; Matsuo, Takashi","Effect of methoxy substituents on fluorescent Zn2+/Cd2+ selectivity of bisquinoline derivatives with a N,N’-dimethylalkanediamine skeleton","Dalton Transactions","2023","","","","","10.1039/D3DT00597F","","","0.71075","MoKα","","0.0263","0.0248","","","0.0544","0.0559","","","","","","1.098","","","","has coordinates","282097","2023-03-28","22:59:13",""
"7712684","32.895","0.004","5.0867","0.0006","16.067","0.002","90","","90.826","0.004","90","","2688.2","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H36 Cl2 N8 O17 Pr2 -","- C60 H36 Cl2 N8 O17 Pr2 -","- C120 H72 Cl4 N16 O34 Pr4 -","2","0.25","","Cao, Qing-Wei; Yue, Tian-Cai; Dong, Qing-Wei; Ma, Qi-Chao; Xie, Ze-Bei; Wang, Duo-Zhi; Wang, Lu-Lu","Effective detection of Ag+, Hg2+ and dye adsorption properties studies of Ln-MOFs based on benzimidazole carboxylic acid ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00579H","","","0.71073","MoKα","","0.0792","0.0576","","","0.131","0.1424","","","","","","1.065","","","","has coordinates","282098","2023-03-28","23:00:27",""
"7712685","33.038","","5.15","","16.005","","90","","91.17","","90","","2722.61","","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cl N4 Nd O8 -","- C30 H18 Cl N4 Nd O8 -","- C120 H72 Cl4 N16 Nd4 O32 -","4","0.5","","Cao, Qing-Wei; Yue, Tian-Cai; Dong, Qing-Wei; Ma, Qi-Chao; Xie, Ze-Bei; Wang, Duo-Zhi; Wang, Lu-Lu","Effective detection of Ag+, Hg2+ and dye adsorption properties studies of Ln-MOFs based on benzimidazole carboxylic acid ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00579H","","","0.71073","MoKα","","0.1256","0.0848","","","0.1904","0.2095","","","","","","1.123","","","","has coordinates","282098","2023-03-28","23:00:28",""
"7712686","33.009","0.004","5.1593","0.0007","15.953","0.0019","90","","91.315","0.003","90","","2716.1","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cl Eu N4 O9 -","- C30 H18 Cl Eu N4 O9 -","- C120 H72 Cl4 Eu4 N16 O36 -","4","0.5","","Cao, Qing-Wei; Yue, Tian-Cai; Dong, Qing-Wei; Ma, Qi-Chao; Xie, Ze-Bei; Wang, Duo-Zhi; Wang, Lu-Lu","Effective detection of Ag+, Hg2+ and dye adsorption properties studies of Ln-MOFs based on benzimidazole carboxylic acid ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00579H","","","0.71073","MoKα","","0.0826","0.0632","","","0.1608","0.1743","","","","","","1.159","","","","has coordinates,has disorder","282098","2023-03-28","23:00:28",""
"7712687","33.0751","0.0016","5.1932","0.0003","15.8942","0.0008","90","","91.435","0.001","90","","2729.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Ce Cl N4 O8 -","- C30 H18 Ce Cl N4 O8 -","- C120 H72 Ce4 Cl4 N16 O32 -","4","0.5","","Cao, Qing-Wei; Yue, Tian-Cai; Dong, Qing-Wei; Ma, Qi-Chao; Xie, Ze-Bei; Wang, Duo-Zhi; Wang, Lu-Lu","Effective detection of Ag+, Hg2+ and dye adsorption properties studies of Ln-MOFs based on benzimidazole carboxylic acid ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00579H","","","0.71073","MoKα","","0.0431","0.0369","","","0.0989","0.1038","","","","","","1.052","","","","has coordinates","282098","2023-03-28","23:00:28",""
"7712688","32.811","0.0018","5.0304","0.0003","16.1817","0.0009","90","","90.401","0.002","90","","2670.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cl Ho N4 O8 -","- C30 H18 Cl Ho N4 O8 -","- C120 H72 Cl4 Ho4 N16 O32 -","4","0.5","","Cao, Qing-Wei; Yue, Tian-Cai; Dong, Qing-Wei; Ma, Qi-Chao; Xie, Ze-Bei; Wang, Duo-Zhi; Wang, Lu-Lu","Effective detection of Ag+, Hg2+ and dye adsorption properties studies of Ln-MOFs based on benzimidazole carboxylic acid ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00579H","","","0.71073","MoKα","","0.076","0.0518","","","0.1112","0.1244","","","","","","1.081","","","","has coordinates","282098","2023-03-28","23:00:28",""
"7712689","11.9778","0.0003","12.5044","0.0003","21.108","0.0006","80.916","0.002","75.471","0.002","85.239","0.002","3018.86","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H39 B F30 Fe S -","- C67 H39 B F30 Fe S -","- C134 H78 B2 F60 Fe2 S2 -","2","1","","Nau, Moritz; Casper, Larissa Alina; Haug, Gernot; Linseis, Michael; Demeshko, Serhiy; Winter, Rainer R.F.","Linker Permethylation as a Means to Foster Valence Tautomerism and Thwart Dimerization in Ferrocenyl-Triarylmethylium Cations","Dalton Transactions","2023","","","","","10.1039/D3DT00857F","","x-ray","0.71073","MoKα","","0.0814","0.0461","","","0.1094","0.1394","","","","","","1.089","","","","has coordinates","282099","2023-03-28","23:01:11",""
"7712690","14.424","0.005","12.494","0.004","8.027","0.003","90","","95.411","0.008","90","","1440.1","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Ce Cl N O7 -","- C12 H13 Ce Cl N O7 -","- C48 H52 Ce4 Cl4 N4 O28 -","4","1","","Zhang, Yatong; Wang, Ai; Feng, Sisi; Yuan, Caixia; Lu, Liping","Syntheses and fluorescence properties of lanthanide isostructural complexes derived from aspartic acid.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00377a","","","0.71073","MoKα","","0.0465","0.0351","","","0.0832","0.0894","","","","","","1.023","","","","has coordinates","282100","2023-03-28","23:02:28",""
"7712691","14.441","0.006","12.511","0.005","7.996","0.003","90","","95.595","0.01","90","","1437.8","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N Nd O7 -","- C12 H13 Cl N Nd O7 -","- C48 H52 Cl4 N4 Nd4 O28 -","4","1","","Zhang, Yatong; Wang, Ai; Feng, Sisi; Yuan, Caixia; Lu, Liping","Syntheses and fluorescence properties of lanthanide isostructural complexes derived from aspartic acid.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00377a","","","0.71073","MoKα","","0.0877","0.0576","","","0.1236","0.1452","","","","","","1.042","","","","has coordinates","282100","2023-03-28","23:02:28",""
"7712692","14.3677","0.0019","12.4449","0.0018","7.9612","0.0014","90","","95.443","0.005","90","","1417.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N O7 Pr -","- C12 H13 Cl N O7 Pr -","- C48 H52 Cl4 N4 O28 Pr4 -","4","1","","Zhang, Yatong; Wang, Ai; Feng, Sisi; Yuan, Caixia; Lu, Liping","Syntheses and fluorescence properties of lanthanide isostructural complexes derived from aspartic acid.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00377a","","","0.71073","MoKα","","0.0519","0.0366","","","0.0755","0.0812","","","","","","1.035","","","","has coordinates","282100","2023-03-28","23:02:28",""
"7712693","14.365","0.004","12.4","0.004","7.874","0.002","90","","95.572","0.008","90","","1395.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl Eu N O7 -","- C12 H13 Cl Eu N O7 -","- C48 H52 Cl4 Eu4 N4 O28 -","4","1","","Zhang, Yatong; Wang, Ai; Feng, Sisi; Yuan, Caixia; Lu, Liping","Syntheses and fluorescence properties of lanthanide isostructural complexes derived from aspartic acid.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00377a","","","0.71073","MoKα","","0.0653","0.0428","","","0.0966","0.1066","","","","","","1.032","","","","has coordinates","282100","2023-03-28","23:02:28",""
"7712694","14.3665","0.0016","12.3921","0.0013","7.8827","0.0008","90","","95.556","0.003","90","","1396.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N O7 Sm -","- C12 H13 Cl N O7 Sm -","- C48 H52 Cl4 N4 O28 Sm4 -","4","1","","Zhang, Yatong; Wang, Ai; Feng, Sisi; Yuan, Caixia; Lu, Liping","Syntheses and fluorescence properties of lanthanide isostructural complexes derived from aspartic acid.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00377a","","","0.71073","MoKα","","0.0339","0.0283","","","0.0659","0.0684","","","","","","1.035","","","","has coordinates","282100","2023-03-28","23:02:28",""
"7712695","14.365","0.006","12.378","0.005","7.859","0.003","90","","95.858","0.011","90","","1390.1","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N O7 Tb -","- C12 H13 Cl N O7 Tb -","- C48 H52 Cl4 N4 O28 Tb4 -","4","1","","Zhang, Yatong; Wang, Ai; Feng, Sisi; Yuan, Caixia; Lu, Liping","Syntheses and fluorescence properties of lanthanide isostructural complexes derived from aspartic acid.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00377a","","","0.71073","MoKα","","0.0811","0.0576","","","0.1177","0.1354","","","","","","1.066","","","","has coordinates","282100","2023-03-28","23:02:28",""
"7712696","37.011","0.003","6.8204","0.0006","18.5941","0.0016","90","","96.449","0.003","90","","4664","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cu N5 O -","- C24 H27 Cu N5 O -","- C192 H216 Cu8 N40 O8 -","8","1","","Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit","Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions","Dalton Transactions","2023","","","","","10.1039/D2DT04170G","","","0.71073","MoKα","","0.116","0.069","","","0.1691","0.2","","","","","","1.021","","","","has coordinates","282127","2023-03-29","23:14:03",""
"7712697","6.6554","0.0006","10.5705","0.0008","17.5161","0.0015","86.302","0.003","89.149","0.003","73.635","0.003","1179.88","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 Cu N3 O S -","- C25 H27 Cu N3 O S -","- C50 H54 Cu2 N6 O2 S2 -","2","1","","Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit","Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions","Dalton Transactions","2023","","","","","10.1039/D2DT04170G","","","0.71073","MoKα","","0.0543","0.0443","","","0.1082","0.1142","","","","","","1.059","","","","has coordinates","282127","2023-03-29","23:14:04",""
"7712698","6.999","0.004","16.759","0.01","19.18","0.012","90","","90","","90","","2250","2","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C24 H27 Cu N3 O4 -","- C24 H27 Cu N3 O4 -","- C96 H108 Cu4 N12 O16 -","4","0.5","","Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit","Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions","Dalton Transactions","2023","","","","","10.1039/D2DT04170G","","","0.71073","MoKα","","0.0954","0.0708","","","0.1923","0.2182","","","","","","1.02","","","","has coordinates","282127","2023-03-29","23:14:04",""
"7712699","8.2935","0.0004","11.9546","0.0006","12.3936","0.0006","73.231","0.002","73.486","0.002","73.658","0.002","1101.06","0.09","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 F6 N4 P Pt -","- C23 H19 F6 N4 P Pt -","- C46 H38 F12 N8 P2 Pt2 -","2","1","","Zhou, Ning; Zou, Chao; Suo, Sa; Liu, Yuliang; Lin, Jinqiang; Zhang, Xiaobao; Shi, Minglin; Chang, Xiaoyong; Lu, Wei","Aggregation of phosphorescent Pd(II) and Pt(II) complexes with lipophilic counter-anions in non-polar solvents.","Dalton transactions (Cambridge, England : 2003)","2023","52","17","5503","5513","10.1039/d2dt03415h","","x-ray","0.71073","MoKα","","0.0413","0.0345","","","0.0763","0.0793","","","","","","1.103","","","","has coordinates","283283","2023-05-05","02:02:12",""
"7712700","8.3719","0.0002","58.8373","0.0016","13.863","0.0004","90","","90.474","0.001","90","","6828.4","0.3","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H100 Cl2 N4 O7 Pd S -","- C67 H100 Cl2 N4 O7 Pd S -","- C268 H400 Cl8 N16 O28 Pd4 S4 -","4","2","","Zhou, Ning; Zou, Chao; Suo, Sa; Liu, Yuliang; Lin, Jinqiang; Zhang, Xiaobao; Shi, Minglin; Chang, Xiaoyong; Lu, Wei","Aggregation of phosphorescent Pd(II) and Pt(II) complexes with lipophilic counter-anions in non-polar solvents.","Dalton transactions (Cambridge, England : 2003)","2023","52","17","5503","5513","10.1039/d2dt03415h","","x-ray","1.54178","CuKα","","0.0476","0.046","","","0.113","0.114","","","","","","1.065","","","","has coordinates","283283","2023-05-05","02:02:22",""
"7712701","14.61","0.004","18.595","0.004","11.731","0.003","90","","106.745","0.004","90","","3051.9","1.3","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1","","- C29 H32 N8 O2 S2 Zn -","- C29 H32 N8 O2 S2 Zn -","- C116 H128 N32 O8 S8 Zn4 -","4","0.5","","Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng","Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities","Dalton Transactions","2023","","","","","10.1039/D3DT00148B","","","0.71073","MoKα","","0.0303","0.0266","","","0.0695","0.0725","","","","","","1.066","","","","has coordinates,has disorder","282130","2023-03-29","23:17:20",""
"7712702","7.4725","0.0002","13.9731","0.0005","10.8484","0.0004","90","","93.392","0.003","90","","1130.74","0.07","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Cl2 N4 S Zn -","- C7 H8 Cl2 N4 S Zn -","- C28 H32 Cl8 N16 S4 Zn4 -","4","1","","Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng","Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities","Dalton Transactions","2023","","","","","10.1039/D3DT00148B","","x-ray","0.71073","MoKα","","0.0299","0.0249","","","0.065","0.068","","","","","","1.017","","","","has coordinates","282130","2023-03-29","23:17:20",""
"7712703","9.4043","0.0008","12.9146","0.0014","16.6007","0.0015","90","","90","","90","","2016.2","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N8 S2 Zn -","- C16 H18 N8 S2 Zn -","- C64 H72 N32 S8 Zn4 -","4","1","","Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng","Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities","Dalton Transactions","2023","","","","","10.1039/D3DT00148B","","x-ray","0.71073","MoKα","","0.0405","0.0345","","","0.0798","0.0856","","","","","","0.9901","","","","has coordinates","282130","2023-03-29","23:17:20",""
"7712704","7.5232","0.0004","9.5669","0.0004","9.781","0.0004","101.592","0.004","94.606","0.004","97.946","0.004","678.74","0.06","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl N4 O S Zn -","- C10 H15 Cl N4 O S Zn -","- C20 H30 Cl2 N8 O2 S2 Zn2 -","2","1","","Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng","Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities","Dalton Transactions","2023","","","","","10.1039/D3DT00148B","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.0699","0.072","","","","","","1.037","","","","has coordinates","282130","2023-03-29","23:17:20",""
"7712705","7.2908","0.0006","9.6604","0.001","10.9647","0.001","82.285","0.008","82.036","0.007","89.835","0.008","757.8","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 S Zn -","- C13 H12 Cl2 N4 S Zn -","- C26 H24 Cl4 N8 S2 Zn2 -","2","1","","Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng","Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities","Dalton Transactions","2023","","","","","10.1039/D3DT00148B","","x-ray","0.71073","MoKα","","0.0873","0.0505","","","0.0896","0.1147","","","","","","1.0123","","","","has coordinates","282130","2023-03-29","23:17:20",""
"7712706","21.5588","0.0006","13.0726","0.0004","27.5796","0.0008","90","","96.1396","0.0013","90","","7728.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LUISFER71_150K","","","- C38 H48 F6 N6 -","- C38 H48 F6 N6 -","- C304 H384 F48 N48 -","8","2","","Navarro, Marta; Garcés Osado, Andrés; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Gonzalez-Lizana, David; Lara, Agustin","Very Efficient Organo-Zinc Scorpionates for the CO2 Fixation into a Variety of Cyclic Carbonates: Synthesis, Coordination Ability and Catalytic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00510K","","","0.71073","MoKα","","0.0627","0.0492","","","0.133","0.1551","","","","","","1","","","","has coordinates,has disorder","282131","2023-03-29","23:18:16",""
"7712707","10.4556","0.0005","14.8272","0.0008","15.0122","0.0008","73.194","0.003","76.162","0.003","81.89","0.003","2156.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","LUISFER71_150K","","","- C42 H57 F6 N6 Zn -","- C42 H57 F6 N6 Zn -","- C84 H114 F12 N12 Zn2 -","2","1","","Navarro, Marta; Garcés Osado, Andrés; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Gonzalez-Lizana, David; Lara, Agustin","Very Efficient Organo-Zinc Scorpionates for the CO2 Fixation into a Variety of Cyclic Carbonates: Synthesis, Coordination Ability and Catalytic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00510K","","","0.71073","MoKα","","0.0513","0.0397","","","0.1022","0.1084","","","","","","1.069","","","","has coordinates,has disorder","282131","2023-03-29","23:18:17",""
"7712708","10.8117","0.0008","10.8117","0.0008","37.472","0.004","90","","90","","120","","3793.4","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 F6 N24 P -","- C12 H24.9999 F5.9994 N24 P -","- C72 H149.999 F35.9964 N144 P6 -","6","0.166667","","Liu, Lehui; Zhang, Lizhen; yuan, feifei; Huang, Yisheng; Lin, Zhoubin","Two UV Optical Crystals with Strong Optical Anisotropy, Large Band Gaps and α-BBO Type Structure","Dalton Transactions","2023","","","","","10.1039/D3DT00581J","","x-ray","1.3405","GaKα","","0.0589","0.0491","","","0.1366","0.1464","","","","","","1.046","","","","has coordinates","282139","2023-03-30","23:11:01",""
"7712709","12.9123","0.0003","10.9021","0.0002","15.2051","0.0004","90","","103.77","0.002","90","","2078.92","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 F6 N18 O P -","- C9 H21 F6 N18 O P -","- C36 H84 F24 N72 O4 P4 -","4","1","","Liu, Lehui; Zhang, Lizhen; yuan, feifei; Huang, Yisheng; Lin, Zhoubin","Two UV Optical Crystals with Strong Optical Anisotropy, Large Band Gaps and α-BBO Type Structure","Dalton Transactions","2023","","","","","10.1039/D3DT00581J","","x-ray","1.54184","CuKα","","0.1453","0.0978","","","0.2683","0.2898","","","","","","1.053","","","","has coordinates,has disorder","282139","2023-03-30","23:11:02",""
"7712710","13.27","0.0007","16.3706","0.0008","21.4855","0.0011","90","","106.344","0.002","90","","4478.8","0.4","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H86 Mn4 Mo2 N26 O5 -","- C78 H86 Mn4 Mo2 N26 O5 -","- C156 H172 Mn8 Mo4 N52 O10 -","2","1","","Xu, Fang-Xue; Li, Ying-Lian; Wei, Xiao-Qin; Shao, Dong; Shi, Le; Wei, Haiyan; Wang, Xin-Yi","Three New MnII-[MoIII(CN)7]4– Molecular Magnets Constructed from Chiral Bidentate Chelating Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00610G","","x-ray","1.34139","GaKα","","0.0734","0.0558","","","0.1619","0.1766","","","","","","1.075","","","","has coordinates,has disorder","282140","2023-03-30","23:12:14",""
"7712711","7.903","0.0006","14.1521","0.001","18.6565","0.0014","71.456","0.002","78.641","0.002","88.548","0.002","1938","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43.6 Mn2 Mo N15 O1.8 -","- C23 H36.6 Mn2 Mo N13 O1.3 -","- C46 H73.2 Mn4 Mo2 N26 O2.6 -","2","1","","Xu, Fang-Xue; Li, Ying-Lian; Wei, Xiao-Qin; Shao, Dong; Shi, Le; Wei, Haiyan; Wang, Xin-Yi","Three New MnII-[MoIII(CN)7]4– Molecular Magnets Constructed from Chiral Bidentate Chelating Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00610G","","x-ray","0.71073","MoKα","","0.0607","0.0505","","","0.1288","0.1353","","","","","","1.057","","","","has coordinates,has disorder","282140","2023-03-30","23:12:15",""
"7712712","13.2786","0.0012","16.2861","0.0013","21.4317","0.0019","90","","105.389","0.004","90","","4468.6","0.7","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H87 Mn4 Mo2 N26 O5.5 -","- C78 H87 Mn4 Mo2 N26 O5.5 -","- C156 H174 Mn8 Mo4 N52 O11 -","2","1","","Xu, Fang-Xue; Li, Ying-Lian; Wei, Xiao-Qin; Shao, Dong; Shi, Le; Wei, Haiyan; Wang, Xin-Yi","Three New MnII-[MoIII(CN)7]4– Molecular Magnets Constructed from Chiral Bidentate Chelating Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00610G","","x-ray","1.34139","GaKα","","0.0979","0.0657","","","0.1782","0.2036","","","","","","1.057","","","","has coordinates,has disorder","282140","2023-03-30","23:12:15",""
"7712713","13.1143","0.0003","13.1651","0.0003","16.3159","0.0004","97.934","0.002","95.154","0.002","92.056","0.002","2775.38","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C63.6 H41.4 N3 O16.2 Zn3 -","- C63.6 H41.4 N3 O16.2 Zn3 -","- C127.2 H82.8 N6 O32.4 Zn6 -","2","1","","Hong, Chao; Li, Ling; Zou, Ji-Yong; Zhang, Li; You, Shengyong","A turn-on fluorescent Zn(II) metal−organic framework sensor for quantitative anthrax biomarker detection","Dalton Transactions","2023","","","","","10.1039/D3DT00619K","","x-ray","0.71073","MoKα","","0.0706","0.0493","","","0.1378","0.1497","","","","","","1.068","","","","has coordinates,has disorder","282164","2023-03-31","22:59:19",""
"7712714","14.3033","0.0016","14.7648","0.0013","15.3305","0.0013","112.269","0.004","91.27","0.003","104.241","0.003","2879.9","0.5","112","","112","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H40 F34 N4 Rh2 -","- C56 H40 F34 N4 Rh2 -","- C112 H80 F68 N8 Rh4 -","2","1","","Parche, Joshua; Rupf, Susanne M.; Sievers, Robin; Malischewski, Moritz","Substitution Lability of the Perfluorinated Cp* Ligand in Rh(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00425B","","","0.71073","MoKα","","0.0617","0.0474","","","0.106","0.1129","","","","","","1.027","","","","has coordinates,has disorder","282165","2023-03-31","22:59:56",""
"7712715","10.7638","0.0004","21.5907","0.0008","10.9819","0.0004","90","","90.152","0.001","90","","2552.16","0.16","104","","104","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F15 N2 Rh -","- C22 H18 F15 N2 Rh -","- C88 H72 F60 N8 Rh4 -","4","1","","Parche, Joshua; Rupf, Susanne M.; Sievers, Robin; Malischewski, Moritz","Substitution Lability of the Perfluorinated Cp* Ligand in Rh(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00425B","","","0.71073","MoKα","","0.0875","0.0666","","","0.1265","0.1354","","","","","","1.173","","","","has coordinates,has disorder","282165","2023-03-31","22:59:57",""
"7712716","15.5392","0.0003","18.958","0.0006","20.2764","0.0006","69.264","0.003","81.839","0.002","69.584","0.002","5234.3","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C103 H99.85 Ag0.58 Al Cl0.58 F36 O8.42 P2 Rh -","- C103 H99.8446 Ag0.5777 Al Cl0.5777 F36 O8.4223 P2 Rh -","- C206 H199.689 Ag1.1554 Al2 Cl1.1554 F72 O16.8446 P4 Rh2 -","2","1","","Emerson-King, Jack; Chaplin, Adrian B.","Template synthesis of an intermediate in silver salt metathesis using a calix[4]arene-based diphosphine ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00567D","","x-ray","0.71073","MoKα","","0.1158","0.0771","","","0.1933","0.2199","","","","","","1.021","","","","has coordinates,has disorder","282225","2023-04-03","23:04:59",""
"7712717","17.9994","0.0008","18.5281","0.0008","21.3105","0.0014","75.02","0.005","87.021","0.004","89.684","0.004","6855.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H163 Cl2 O8 P4 Rh2 -","- C159 H163 Cl2 O8 P4 Rh2 -","- C318 H326 Cl4 O16 P8 Rh4 -","2","1","","Emerson-King, Jack; Chaplin, Adrian B.","Template synthesis of an intermediate in silver salt metathesis using a calix[4]arene-based diphosphine ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00567D","","x-ray","1.54184","CuKα","","0.1793","0.1471","","","0.3643","0.3859","","","","","","1.063","","","","has coordinates,has disorder","282225","2023-04-03","23:04:59",""
"7712718","9.3404","0.001","10.8427","0.0011","10.9733","0.0012","99.826","0.007","105.966","0.007","90.367","0.007","1051.1","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cu Mn0.5 N2 O4 -","- C23 H27 Cu Mn0.5 N2 O4 -","- C46 H54 Cu2 Mn N4 O8 -","2","1","","Nag, Somrita; Pramanik, Koushik; Chattopadhyay, Mohit Kumar; Malpaharia, Pijush; Chandra, Swapan K.; Banerjee, Priyabrata","A strategically synthesized arseno-discriminatory tetra-phenoxido hetero-trinuclear complex envisioned for the recognition of iAs and oAs from <i>Oryza</i> sp. and aquatic crustaceans.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00201b","","","0.71073","MoKα","","0.1377","0.0672","","","0.1418","0.1775","","","","","","1.04","","","","has coordinates,has disorder","282226","2023-04-03","23:05:34",""
"7712719","9.9054","0.0002","12.9304","0.0003","14.384","0.0003","67.548","0.001","75.695","0.001","72.133","0.001","1602.78","0.06","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Fe2 O8 S2 -","- C10 H10 Fe2 O8 S2 -","- C40 H40 Fe8 O32 S8 -","4","2","","Benndorf, Stefan; Buday, Philipp; Callies, Benedikt; Görls, Helmar; Kupfer, Stephan; Weigand, Wolfgang","NMP makes the Difference – Facilitated Synthesis of [FeFe] Hydrogenase Mimics","Dalton Transactions","2023","","","","","10.1039/D3DT00796K","","","0.71073","MoKα","","0.0438","0.0358","","","0.0772","0.0815","","","","","","1.054","","","","has coordinates","282356","2023-04-04","22:47:16",""
"7712720","8.3913","0.0002","14.0722","0.0003","15.2335","0.0003","115.43","0.002","96.755","0.002","92.525","0.002","1604.28","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Mo2 N4 O12 S2 -","- C26 H30 Mo2 N4 O12 S2 -","- C52 H60 Mo4 N8 O24 S4 -","2","1","","Rana, Lata; Dheeraj, ?; Hundal, Geeta","New bis[<i>cis</i>-{MoO<sub>2</sub>}] complexes with dihydrazone ligands: synthesis, characterization, theoretical investigation and their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00118k","","x-ray","0.71073","MoKα","","0.0775","0.0517","","","0.1379","0.1594","","","","","","1.042","","","","has coordinates,has disorder","282357","2023-04-04","22:48:31",""
"7712721","12.2043","0.0003","7.9921","0.0002","17.2958","0.0003","90","","90.844","0.002","90","","1686.81","0.07","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H30 Mo2 N4 O12 S2 -","- C28 H30 Mo2 N4 O12 S2 -","- C56 H60 Mo4 N8 O24 S4 -","2","1","","Rana, Lata; Dheeraj, ?; Hundal, Geeta","New bis[<i>cis</i>-{MoO<sub>2</sub>}] complexes with dihydrazone ligands: synthesis, characterization, theoretical investigation and their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00118k","","x-ray","0.71073","MoKα","","0.0524","0.0432","","","0.098","0.1044","","","","","","1.042","","","","has coordinates,has disorder","282357","2023-04-04","22:48:32",""
"7712722","18.843","0.0004","12.0101","0.0002","47.2649","0.0008","90","","93.355","0.002","90","","10678","0.3","290","2","290","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H66 Mo2 N4 O12 S3 -","- C44 H66 Mo2 N4 O12 S3 -","- C352 H528 Mo16 N32 O96 S24 -","8","1","","Rana, Lata; Dheeraj, ?; Hundal, Geeta","New bis[<i>cis</i>-{MoO<sub>2</sub>}] complexes with dihydrazone ligands: synthesis, characterization, theoretical investigation and their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00118k","","","0.71073","MoKα","","0.0709","0.0488","","","0.1194","0.1325","","","","","","1.036","","","","has coordinates,has disorder","282357","2023-04-04","22:48:32",""
"7712723","8.9184","0.0004","25.5418","0.0012","13.6066","0.0006","90","","103.837","0.001","90","","3009.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 F3 Fe2 N O6 S -","- C30 H32 F3 Fe2 N O6 S -","- C120 H128 F12 Fe8 N4 O24 S4 -","4","1","","Benetti, Sara; Dalla Pozza, Maria; Biancalana, Lorenzo; Zacchini, Stefano; Gasser, Gilles; Marchetti, Fabio","The Beneficial Effect of Cyclohexyl Substituent on the In Vitro Anticancer Activity of Diiron Vinyliminium Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00186E","","","0.71073","MoKα","","0.0466","0.0426","","","0.09","0.0918","","","","","","1.151","","","","has coordinates","282358","2023-04-04","22:50:40",""
"7712724","12.127","0.003","14.583","0.003","19.147","0.004","90","","102.868","0.006","90","","3301.1","1.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl2 F3 Fe2 N O6 S -","- C31 H34 Cl2 F3 Fe2 N O6 S -","- C124 H136 Cl8 F12 Fe8 N4 O24 S4 -","4","1","","Benetti, Sara; Dalla Pozza, Maria; Biancalana, Lorenzo; Zacchini, Stefano; Gasser, Gilles; Marchetti, Fabio","The Beneficial Effect of Cyclohexyl Substituent on the In Vitro Anticancer Activity of Diiron Vinyliminium Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00186E","","","0.71073","MoKα","","0.2026","0.1418","","","0.2733","0.3018","","","","","","1.253","","","","has coordinates","282358","2023-04-04","22:50:41",""
"7712725","9.215","0.0014","25.306","0.004","13.712","0.002","90","","107.023","0.005","90","","3057.5","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 F3 Fe2 N O6 S -","- C31 H34 F3 Fe2 N O6 S -","- C124 H136 F12 Fe8 N4 O24 S4 -","4","1","","Benetti, Sara; Dalla Pozza, Maria; Biancalana, Lorenzo; Zacchini, Stefano; Gasser, Gilles; Marchetti, Fabio","The Beneficial Effect of Cyclohexyl Substituent on the In Vitro Anticancer Activity of Diiron Vinyliminium Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00186E","","","0.71073","MoKα","","0.0974","0.0772","","","0.1463","0.1534","","","","","","1.245","","","","has coordinates","282358","2023-04-04","22:50:41",""
"7712726","11.7733","0.0008","9.5312","0.0006","20.5338","0.0012","90","","102.577","0.003","90","","2248.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","22127z","","","- C20 H12 B F6 Mn N6 O3 -","- C20 H12 B F6 Mn N6 O3 -","- C80 H48 B4 F24 Mn4 N24 O12 -","4","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0576","0.0438","","","0.0912","0.101","","","","","","1.134","","","","has coordinates","282359","2023-04-04","22:53:54",""
"7712727","27.4242","0.0011","9.1455","0.0004","15.1202","0.0005","90","","122.375","0.002","90","","3202.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","22110z","","","- C30 H22 B2 F6 Fe N12 -","- C30 H22 B2 F6 Fe N12 -","- C120 H88 B8 F24 Fe4 N48 -","4","0.5","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0589","0.039","","","0.09","0.0999","","","","","","1.029","","","","has coordinates,has disorder","282359","2023-04-04","22:53:55",""
"7712728","8.0619","0.0006","10.3783","0.0007","13.2434","0.0011","112.867","0.002","92.257","0.002","103.333","0.002","983.12","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H11 B F3 Mn N6 O3 -","- C18 H11 B F3 Mn N6 O3 -","- C36 H22 B2 F6 Mn2 N12 O6 -","2","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0477","0.0353","","","0.0867","0.0937","","","","","","1.053","","","","has coordinates","282359","2023-04-04","22:53:55",""
"7712729","18.9101","0.0019","10.4677","0.0012","19.1159","0.0017","90","","90.289","0.004","90","","3783.9","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","22091z","","","- C15.5 H12 B Cl F3 N6 Tl -","- C15.5 H12 B Cl F3 N6 Tl -","- C124 H96 B8 Cl8 F24 N48 Tl8 -","8","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0413","0.0272","","","0.0499","0.0541","","","","","","1.037","","","","has coordinates","282359","2023-04-04","22:53:55",""
"7712730","9.0815","0.0006","15.9381","0.001","21.3866","0.0014","90","","96.793","0.003","90","","3073.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","22112z","","","- C28 H32 B F6 Mo N7 O3 -","- C27.9999 H32 B F6 Mo N6.9999 O3 -","- C112 H128 B4 F24 Mo4 N27.9996 O12 -","4","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0676","0.0429","","","0.0831","0.0947","","","","","","1.036","","","","has coordinates,has disorder","282359","2023-04-04","22:53:55",""
"7712731","9.0744","0.0004","18.9906","0.0008","16.6747","0.0006","90","","96.281","0.002","90","","2856.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","22111z","","","- C26 H31 B F3 Mo N7 O3 -","- C26 H31 B F3 Mo N7 O3 -","- C104 H124 B4 F12 Mo4 N28 O12 -","4","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.052","0.0354","","","0.0777","0.0874","","","","","","1.013","","","","has coordinates","282359","2023-04-04","22:53:55",""
"7712732","26.45","0.002","8.7643","0.0006","16.5941","0.0011","90","","108.226","0.003","90","","3653.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","22122z","","","- C34 H24 B2 Cu F12 N12 -","- C34 H24 B2 Cu F12 N12 -","- C136 H96 B8 Cu4 F48 N48 -","4","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0607","0.0455","","","0.1078","0.1157","","","","","","1.017","","","","has coordinates","282359","2023-04-04","22:53:55",""
"7712733","20.9464","0.0007","13.3844","0.0005","15.8056","0.0005","90","","94.4542","0.0014","90","","4417.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","22106z","","","- C21 H18 B F3 Mo N6 O2 -","- C21 H18 B F3 Mo N6 O2 -","- C168 H144 B8 F24 Mo8 N48 O16 -","8","2","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0421","0.0297","","","0.067","0.0738","","","","","","1.029","","","","has coordinates","282359","2023-04-04","22:53:55",""
"7712734","8.6506","0.0004","13.0055","0.0008","13.0165","0.0008","107.215","0.002","108.439","0.001","101.553","0.002","1255.28","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 B F6 Mo N6 O2 -","- C23 H19 B F6 Mo N6 O2 -","- C46 H38 B2 F12 Mo2 N12 O4 -","2","1","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0257","0.0235","","","0.057","0.0586","","","","","","1.053","","","","has coordinates,has disorder","282359","2023-04-04","22:53:55",""
"7712735","10.5103","0.0007","14.6077","0.0013","21.4716","0.0019","91.514","0.003","92.467","0.003","102.182","0.003","3217.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","22105z","","","- C30 H22 B2 Cu F6 N12 -","- C30 H22 B2 Cu F6 N12 -","- C120 H88 B8 Cu4 F24 N48 -","4","2","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0561","0.0383","","","0.0963","0.1071","","","","","","1.046","","","","has coordinates","282359","2023-04-04","22:53:55",""
"7712736","17.4697","0.0008","16.3093","0.0007","22.5734","0.0011","90","","96.179","0.002","90","","6394.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","22113z","","","- C17 H12 B F6 N6 Tl -","- C17 H12 B F6 N6 Tl -","- C204 H144 B12 F72 N72 Tl12 -","12","3","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0444","0.0263","","","0.052","0.0572","","","","","","1.011","","","","has coordinates","282359","2023-04-04","22:53:56",""
"7712737","15.6527","0.0016","16.2542","0.0016","16.687","0.002","104.507","0.004","105.302","0.004","103.887","0.004","3745.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","22120zz","","","- C34 H24 B2 F12 Fe N12 -","- C34 H24 B2 F12 Fe N12 -","- C136 H96 B8 F48 Fe4 N48 -","4","2","","Fischer, Paul J.; Roe, Charley B.; Stephenson, Jasmine N.; Dunscomb, Rachel J.; Carthy, Camille L.; Nataro, Chip; Young, Jr, Victor G","Exploring opportunities for tuning phenyltris(pyrazol-1-yl)borate donation by varying the extent of phenyl substituent fluorination.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00735a","","","0.71073","MoKα","","0.0599","0.0459","","","0.1179","0.1292","","","","","","1.027","","","","has coordinates","282359","2023-04-04","22:53:56",""
"7712738","11.9513","0.0006","8.1881","0.0003","13.458","0.0008","90","","114.729","0.007","90","","1196.21","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cd N2 O7 -","- C10 H10 Cd N2 O7 -","- C40 H40 Cd4 N8 O28 -","4","1","","Wang, Yu; Shen, Yaoguo; Huang, Weiqi; Zhao, Sangen","C10H6NO2Cd(NO3)∙2H2O: A Birefringent Crystal with Enlarged Band-Gap derived from the Covalent Edge-Sharing Connection","Dalton Transactions","2023","","","","","10.1039/D3DT00688C","","","0.71073","MoKα","","0.0465","0.0344","","","0.0637","0.0675","","","","","","1.081","","","","has coordinates","282439","2023-04-05","22:53:14",""
"7712739","17.941","0.003","28.409","0.005","11.205","0.002","90","","110.153","0.006","90","","5361.4","1.6","135","1","135","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 Cl10 F4 Ir N6 O2 -","- C44 H40 Cl7 F4 Ir N6 O2 -","- C176 H160 Cl28 F16 Ir4 N24 O8 -","4","0.5","","Lalinde Peña, Elena; Millán-Fernández, Gonzalo; Nieddu, Mattia; López, Icíar; Larráyoz, Ignacio; Pichel, José García; Izquierdo, Cintia; Berenguer, Jesús R.","A new family of luminescent Iridium Complexes: Synthesis, Optical and Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00028A","","x-ray","0.71073","MoKα","","0.0273","0.0235","","","0.0572","0.0584","","","","","","1.041","","","","has coordinates,has disorder","282440","2023-04-05","22:54:05",""
"7712740","11.1184","0.0005","30.6557","0.0017","13.7608","0.0008","90","","98.189","0.002","90","","4642.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H44 F6 Ir N6 O9 P -","- C47 H44 F6 Ir N6 O9 P -","- C188 H176 F24 Ir4 N24 O36 P4 -","4","1","","Lalinde Peña, Elena; Millán-Fernández, Gonzalo; Nieddu, Mattia; López, Icíar; Larráyoz, Ignacio; Pichel, José García; Izquierdo, Cintia; Berenguer, Jesús R.","A new family of luminescent Iridium Complexes: Synthesis, Optical and Cytotoxic Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00028A","","x-ray","0.71076","MoKα","","0.0332","0.0326","","","0.0715","0.0719","","","","","","1.208","","","","has coordinates,has disorder","282440","2023-04-05","22:54:06",""
"7712741","18.3371","0.0007","18.7052","0.0007","21.1107","0.0008","90","","90","","90","","7241","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H31 Cd I N12 O7 S -","- C31 H31 Cd I N12 O7 S -","- C248 H248 Cd8 I8 N96 O56 S8 -","8","1","","Yang, Chen; Wang, Qi; Zhang, Kou-Lin","Preparation, characterization and electrochemical sensing performance of a novel pristine Cd-MOF and the composite with carbon nanotubes","Dalton Transactions","2023","","","","","10.1039/D3DT00353A","","","0.71073","MoKα","","0.1301","0.0644","","","0.0958","0.1129","","","","","","1.082","","","","has coordinates","282441","2023-04-05","22:54:43",""
"7712742","7.688","0.001","13.744","0.002","15.732","0.002","80.34","0.01","79.66","0.01","79.5","0.01","1592.2","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Cl5 N5 O4 -","- C24 H38 Cl5 N5 O4 -","- C48 H76 Cl10 N10 O8 -","2","1","","Bencini, Andrea; Romano, Giammarco Maria; Savastano, Matteo; Bazzicalupi, Carla; Lippolis, Vito; Chelli, Riccardo","Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor","Dalton Transactions","2023","","","","","10.1039/D3DT00682D","","","1.5418","CuKα","","0.0791","0.0523","","","0.1428","0.1594","","","","","","1.068","","","","has coordinates","282442","2023-04-05","22:55:58",""
"7712743","7.806","0.001","13.978","0.001","16.174","0.002","80.313","0.008","78.81","0.01","78.28","0.009","1679.8","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Br5 N5 O4 -","- C24 H38 Br5 N5 O4 -","- C48 H76 Br10 N10 O8 -","2","1","","Bencini, Andrea; Romano, Giammarco Maria; Savastano, Matteo; Bazzicalupi, Carla; Lippolis, Vito; Chelli, Riccardo","Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor","Dalton Transactions","2023","","","","","10.1039/D3DT00682D","","","1.5418","CuKα","","0.0711","0.0552","","","0.1471","0.1609","","","","","","1.069","","","","has coordinates","282442","2023-04-05","22:55:59",""
"7712744","7.664","0.001","11.93","0.001","19.291","0.002","78.898","0.009","82.8","0.01","87.09","0.01","1716.5","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H44 N10 O18 -","- C24 H38 N10 O18 -","- C48 H76 N20 O36 -","2","1","","Bencini, Andrea; Romano, Giammarco Maria; Savastano, Matteo; Bazzicalupi, Carla; Lippolis, Vito; Chelli, Riccardo","Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor","Dalton Transactions","2023","","","","","10.1039/D3DT00682D","","","1.5418","CuKα","","0.153","0.0944","","","0.2592","0.2906","","","","","","0.989","","","","has coordinates","282442","2023-04-05","22:55:59",""
"7712745","11.961","0.002","13.583","0.002","15.357","0.002","85.66","0.01","75.95","0.01","69.72","0.01","2270.2","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H62 N5 O32 P7 -","- C24 H38 N5 O32 P7 -","- C48 H76 N10 O64 P14 -","2","1","","Bencini, Andrea; Romano, Giammarco Maria; Savastano, Matteo; Bazzicalupi, Carla; Lippolis, Vito; Chelli, Riccardo","Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor","Dalton Transactions","2023","","","","","10.1039/D3DT00682D","","","1.5418","CuKα","","0.1488","0.0739","","","0.1748","0.1945","","","","","","0.984","","","","has coordinates","282442","2023-04-05","22:55:59",""
"7712746","11.7271","0.0006","33.9737","0.0017","12.2113","0.0006","90","","106.235","0.003","90","","4671.1","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[AII2]YR2","","","- C43 H70 N7 Si2 Y -","- C43 H70 N7 Si2 Y -","- C172 H280 N28 Si8 Y4 -","4","1","","Vasanthakumar, Aathith; Gray, Novan A. G.; Franko, Christopher J.; Murphy, Maia C.; Emslie, David J. H.","Group 3 dialkyl complexes of a rigid monoanionic NNN-donor pincer ligand: synthesis, structures, unexpected reactivity with CPh<sub>3</sub><sup>+</sup>, and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00530e","","","0.71073","MoKα","","0.0656","0.0437","","","0.0947","0.1014","","","","","","1.129","","","","has coordinates","282443","2023-04-05","22:57:15",""
"7712747","14.651","0.006","16.119","0.008","25.584","0.01","94.046","0.011","93.705","0.009","110.899","0.01","5604","4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51.75 H80 N7 Sc Si2 -","- C43 H70 N7 Sc Si2 -","- C172 H280 N28 Sc4 Si8 -","4","2","","Vasanthakumar, Aathith; Gray, Novan A. G.; Franko, Christopher J.; Murphy, Maia C.; Emslie, David J. H.","Group 3 dialkyl complexes of a rigid monoanionic NNN-donor pincer ligand: synthesis, structures, unexpected reactivity with CPh<sub>3</sub><sup>+</sup>, and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00530e","","","0.71073","MoKα","","0.0961","0.0588","","","0.1385","0.156","","","","","","1.027","","","","has coordinates,has disorder","282443","2023-04-05","22:57:15",""
"7712748","19.8941","0.0007","12.7812","0.0004","18.0563","0.0006","90","","116.481","0.004","90","","4109.5","0.3","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Ce2 F6 O10 S2 -","- C34 H48 Ce2 F6 O10 S2 -","- C136 H192 Ce8 F24 O40 S8 -","4","1","","Pandey, Pragati; Yang, Qiaomu; Gau, Michael; Schelter, Eric J.","Evaluating the Photophysical and Photochemical Characteristics of Green-Emitting Cerium(III) Mono-Cyclooctatetraenide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00351E","","x-ray","0.71073","MoKα","","0.041","0.032","","","0.0698","0.0726","","","","","","1.037","","","","has coordinates,has disorder","282444","2023-04-05","22:57:49",""
"7712749","9.4422","0.0002","9.4422","0.0002","9.4422","0.0002","90","","90","","90","","841.82","0.03","293","2","293","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al4 Pt13 Y6 -","- Al4 Pt13 Y6 -","- Al8 Pt26 Y12 -","2","0.0208333","","Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter Franz; Mudry, Stepan","Electronic and structural properties of Y6Pt13X4, site occupancy variants of the Ba6Na16N subnitride (X = Al, Ga)","Dalton Transactions","2023","","","","","10.1039/D3DT00292F","","","0.71073","MoKα","","0.0115","0.0107","","","0.0227","0.0228","","","","","","1.162","","","","has coordinates","282489","2023-04-06","23:06:37",""
"7712750","9.4465","0.001","9.4465","0.001","9.4465","0.001","90","","90","","90","","842.97","0.15","293","2","293","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Y6Pt13Ga4","","- Ga4 Pt13 Y6 -","- Ga4 Pt13 Y6 -","- Ga8 Pt26 Y12 -","2","0.0208333","","Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter Franz; Mudry, Stepan","Electronic and structural properties of Y6Pt13X4, site occupancy variants of the Ba6Na16N subnitride (X = Al, Ga)","Dalton Transactions","2023","","","","","10.1039/D3DT00292F","","","0.71073","MoKα","","0.0281","0.0191","","","0.0339","0.0353","","","","","","1.052","","","","has coordinates","282489","2023-04-06","23:06:37",""
"7712751","14.2262","0.0001","21.2688","0.0001","15.153","0.0001","90","","103.775","0.001","90","","4453.04","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H96 Cu2 N8 O10 P4 -","- C98 H96 Cu2 N8 O10 P4 -","- C196 H192 Cu4 N16 O20 P8 -","2","0.5","","Hong, Zhao-Guo; Zhong, Jingjing; Ding, Dang-Dang; Gong, Si-Hui; Zhang, Liangliang; Zhao, Shulin; Shen, Xing-Can; Liang, Hong; Huang, Fu-Ping","Cu(I)-based Fenton-like agent inducing mitochondrial damage for photo-assisted enhanced chemodynamic therapy","Dalton Transactions","2023","","","","","10.1039/D3DT00317E","","x-ray","1.54184","CuKα","","0.0541","0.0519","","","0.1443","0.1462","","","","","","1.042","","","","has coordinates","282490","2023-04-06","23:07:15",""
"7712752","12.7606","0.0003","19.6694","0.0005","19.8216","0.0005","89.631","0.002","72.434","0.002","83.77","0.002","4713.3","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H130 Br4 N8 O8 P8 -","- C82 H130 Br4 N8 O8 P8 -","- C164 H260 Br8 N16 O16 P16 -","2","1","","Pandey, Madhusudan Kumar; Sheokand, Sonu; Balakrishna, Maravanji Shivaramaiah","Synthesis and characterization of cyclodiphosphazanes embedded macrocycle tetrabromo-resorcin[4]arene-tetrakis(cyclodiphospha-zane) and its tetra-rhodium(I) complex","Dalton Transactions","2023","","","","","10.1039/D3DT00880K","","x-ray","0.71073","MoKα","","0.1011","0.0579","","","0.1193","0.1441","","","","","","1.031","","","","has coordinates,has disorder","282599","2023-04-11","23:01:20",""
"7712753","32.9022","0.0009","37.7479","0.001","12.5306","0.0004","90","","90","","90","","15562.9","0.8","100","","100","","","","","","","","","8","A m m 2","A 2 -2","38","","","","- C216 H304 Br8 Cl8 N16 O16 P16 Rh8 -","- C216 H304 Br8 Cl8 N16 O16 P16 Rh8 -","- C432 H608 Br16 Cl16 N32 O32 P32 Rh16 -","2","0.25","","Pandey, Madhusudan Kumar; Sheokand, Sonu; Balakrishna, Maravanji Shivaramaiah","Synthesis and characterization of cyclodiphosphazanes embedded macrocycle tetrabromo-resorcin[4]arene-tetrakis(cyclodiphospha-zane) and its tetra-rhodium(I) complex","Dalton Transactions","2023","","","","","10.1039/D3DT00880K","","","0.71073","MoKα","","0.0967","0.0719","","","0.1682","0.1877","","","","","","1.024","","","","has coordinates,has disorder","282599","2023-04-11","23:01:21",""
"7712754","7.8705","0.0001","17.3418","0.0003","32.3764","0.0005","90","","92.492","0.004","90","","4414.83","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O10 Zn -","- C19 H18 N2 O10 Zn -","- C152 H144 N16 O80 Zn8 -","8","1","","Ghosh, Tapan Kumar; Ranga Rao, G.","Design and synthesis of mixed-ligand architectured Zn-based coordination polymers for energy storage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00518f","","","0.71073","MoKα","","0.076","0.0693","","","0.1751","0.1799","","","","","","1.204","","","","has coordinates,has disorder","282600","2023-04-11","23:01:55",""
"7712755","10.4987","0.0003","10.4987","0.0003","11.6734","0.0004","90","","90","","120","","1114.29","0.06","120","2","120.15","","","","","","","","","5","P -3","-P 3","147","","","","- C12 H F27.02 O3 Si -","- C12 H F27.0276 O3 Si -","- C24 H2 F54.0552 O6 Si2 -","2","0.333333","","Feige, Felix; Malaspina, Lorraine A.; Kleemiss, Florian; Kögel, Julius F.; Ketkov, Sergey Yu.; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens","An Investigation into the Brønsted Acidity of the Perfluorinated Alkoxy Silanes {(F3C)3CO}3SiH and {(F6C5)3CO}2Si(Cl)H","Dalton Transactions","2023","","","","","10.1039/D3DT00299C","","","0.71073","MoKα","","0.0374","0.0298","","","0.0867","0.0925","","","","","","1.032","","","","has coordinates,has disorder","282601","2023-04-11","23:03:14",""
"7712756","13.2008","0.0004","14.2304","0.0004","20.1079","0.0006","90","","103.871","0.001","90","","3667.17","0.19","100","2","99.92","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H Cl F30 O2 Si -","- C38 H Cl F30 O2 Si -","- C152 H4 Cl4 F120 O8 Si4 -","4","1","","Feige, Felix; Malaspina, Lorraine A.; Kleemiss, Florian; Kögel, Julius F.; Ketkov, Sergey Yu.; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens","An Investigation into the Brønsted Acidity of the Perfluorinated Alkoxy Silanes {(F3C)3CO}3SiH and {(F6C5)3CO}2Si(Cl)H","Dalton Transactions","2023","","","","","10.1039/D3DT00299C","","","0.71073","MoKα","","0.0298","0.0198","","","0.0347","0.0369","","","","","","1.0732","","","","has coordinates,has disorder","282601","2023-04-11","23:03:15",""
"7712757","11.1032","0.0002","16.9744","0.0003","14.8699","0.0002","90","","100.215","0.001","90","","2758.11","0.08","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H48 Al N -","- C30 H48 Al N -","- C120 H192 Al4 N4 -","4","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.029","0.0285","","","0.0757","0.0762","","","","","","1.046","","","","has coordinates","282602","2023-04-11","23:05:07",""
"7712758","11.0487","0.0001","15.7247","0.0002","20.1868","0.0002","90","","90","","90","","3507.2","0.06","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Ga N2 -","- C17 H29 Ga N2 -","- C136 H232 Ga8 N16 -","8","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.0266","0.024","","","0.0646","0.0661","","","","","","1.044","","","","has coordinates","282602","2023-04-11","23:05:08",""
"7712759","11.1648","0.001","15.7523","0.0016","20.039","0.0016","90","","90","","90","","3524.3","0.6","100","10","100","10","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Al N2 -","- C17 H29 Al N2 -","- C136 H232 Al8 N16 -","8","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","0.71073","MoKα","","0.0569","0.0419","","","0.1071","0.1162","","","","","","1.031","","","","has coordinates","282602","2023-04-11","23:05:08",""
"7712760","24.6548","0.0004","16.0707","0.0003","10.4999","0.0001","90","","90","","90","","4160.27","0.11","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H67 Al N4 -","- C44 H67 Al N4 -","- C176 H268 Al4 N16 -","4","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.0458","0.0388","","","0.0886","0.0928","","","","","","1.04","","","","has coordinates,has disorder","282602","2023-04-11","23:05:08",""
"7712761","12.1559","0.0001","17.0754","0.0002","17.5505","0.0002","90","","104.052","0.001","90","","3533.89","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Al N2 -","- C37 H53 Al N2 -","- C148 H212 Al4 N8 -","4","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.0512","0.0466","","","0.127","0.1308","","","","","","1.087","","","","has coordinates","282602","2023-04-11","23:05:08",""
"7712762","11.0695","0.0001","14.4129","0.0002","22.1211","0.0002","90","","97.879","0.001","90","","3495.96","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H60 Al N3 -","- C37 H60 Al N3 -","- C148 H240 Al4 N12 -","4","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.0512","0.0451","","","0.1174","0.122","","","","","","1.026","","","","has coordinates","282602","2023-04-11","23:05:08",""
"7712763","17.19","0.003","25.858","0.006","28.437","0.006","66.779","0.006","89.744","0.005","77.581","0.006","11299","4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C183 H225 Cl3 Cu12 Na2 O41 P6 S12 -","- C156 H162 Cl3 Cu12 Na2 O32 P6 S12 -","- C312 H324 Cl6 Cu24 Na4 O64 P12 S24 -","2","1","","Liu, Chao; Mu, Wen-Lei; Wu, Linlin; Yu, Weidong; Yi, Xiao-Yi; Yan, Jun","Atomically Accurate Structural Tailoring of Thiacalix[4]arene-Protected Copper(II)-Based Metallamacrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT00455D","","","1.34139","GaKα","","0.1721","0.1116","","","0.3018","0.3459","","","","","","0.973","","","","has coordinates,has disorder","282617","2023-04-12","22:51:34",""
"7712764","17.1459","0.0011","20.4847","0.0015","22.6894","0.0014","74.314","0.002","68.612","0.002","75.244","0.002","7034.8","0.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C108 H119 Cl2 Cu8 N2 O23 P3 S8 -","- C108 H119 Cl2 Cu8 N2 O23 P3 S8 -","- C216 H238 Cl4 Cu16 N4 O46 P6 S16 -","2","1","","Liu, Chao; Mu, Wen-Lei; Wu, Linlin; Yu, Weidong; Yi, Xiao-Yi; Yan, Jun","Atomically Accurate Structural Tailoring of Thiacalix[4]arene-Protected Copper(II)-Based Metallamacrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT00455D","","x-ray","1.34139","GaKα","","0.135","0.0781","","","0.2132","0.2457","","","","","","1.009","","","","has coordinates,has disorder","282617","2023-04-12","22:51:35",""
"7712765","17.16","0.002","33.513","0.005","22.472","0.003","90","","96.721","0.006","90","","12834","3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C220 H242 Cl3.17 Cu16 N4 O44 P8 S16 -","- C220 H242 Cl3.174 Cu16 N4 O44 P8 S16 -","- C440 H484 Cl6.348 Cu32 N8 O88 P16 S32 -","2","0.5","","Liu, Chao; Mu, Wen-Lei; Wu, Linlin; Yu, Weidong; Yi, Xiao-Yi; Yan, Jun","Atomically Accurate Structural Tailoring of Thiacalix[4]arene-Protected Copper(II)-Based Metallamacrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT00455D","","x-ray","1.34139","GaKα","","0.081","0.0647","","","0.192","0.203","","","","","","1.064","","","","has coordinates,has disorder","282617","2023-04-12","22:51:35",""
"7712766","13.4416","0.0001","64.1367","0.0005","25.178","0.0002","90","","103.178","0.001","90","","21134.4","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C212.5 H269.5 Cu12 O53.5 P8 S12 -","- C172 H175 Cu12 O40 P8 S12 -","- C688 H700 Cu48 O160 P32 S48 -","4","1","","Liu, Chao; Mu, Wen-Lei; Wu, Linlin; Yu, Weidong; Yi, Xiao-Yi; Yan, Jun","Atomically Accurate Structural Tailoring of Thiacalix[4]arene-Protected Copper(II)-Based Metallamacrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT00455D","","x-ray","1.54184","CuKα","","0.1033","0.0827","","","0.2235","0.2383","","","","","","1.05","","","","has coordinates,has disorder","282617","2023-04-12","22:51:35",""
"7712767","29.1298","0.0006","16.4226","0.0004","20.0583","0.0004","90","","104.196","0.002","90","","9302.6","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Co2 N8 O14.5 -","- C29 H29 Co2 N8 O14.5 -","- C232 H232 Co16 N64 O116 -","8","1","","Liu, Min; Cai, Hequn; Jiang, Shan; Xing, Yongheng; Bai, Fengying","Construction of triazine polycarboxylate Co-MOF with flexible and rigid coordination arms as well as excellent catalytic reduction and adsorption properties","Dalton Transactions","2023","","","","","10.1039/D3DT00519D","","","1.54178","CuKα","","0.1035","0.087","","","0.2583","0.2834","","","","","","1.095","","","","has coordinates","282640","2023-04-14","22:49:16",""
"7712768","41.827","0.003","4.6881","0.0003","9.2475","0.0005","90","","90.714","0.004","90","","1813.2","0.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C36 H66 O4 Zn -","- C36 H66 O4 Zn -","- C72 H132 O8 Zn2 -","2","1","","Wagner, Molly; Pigliapochi, Roberta; DI TULLIO, VALERIA; Catalano, Jaclyn; Zumbulyadis, Nicholas; Centeno, Silvia; Wang, Xiaoling; Chen, Kuizhi; Hung, Ivan; Gan, Zhehong; Dworzak, Michael; Yap, Glenn P. A.; Dybowski, Cecil","Multi-Technique Structural Analysis of Zinc Carboxylates (Soaps)","Dalton Transactions","2023","","","","","10.1039/D3DT00184A","","","1.54178","CuKα","","0.0811","0.0761","","","0.1977","0.2016","","","","","","1.044","","","","has coordinates","282657","2023-04-15","22:46:21",""
"7712769","23.001","0.003","4.6615","0.0007","9.2225","0.0014","90","","95.957","0.003","90","","983.5","0.2","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H34 O4 Zn -","- C18 H34 O4 Zn -","- C36 H68 O8 Zn2 -","2","1","","Wagner, Molly; Pigliapochi, Roberta; DI TULLIO, VALERIA; Catalano, Jaclyn; Zumbulyadis, Nicholas; Centeno, Silvia; Wang, Xiaoling; Chen, Kuizhi; Hung, Ivan; Gan, Zhehong; Dworzak, Michael; Yap, Glenn P. A.; Dybowski, Cecil","Multi-Technique Structural Analysis of Zinc Carboxylates (Soaps)","Dalton Transactions","2023","","","","","10.1039/D3DT00184A","","","1.54178","CuKα","","0.0483","0.048","","","0.1357","0.1359","","","","","","1.132","","","","has coordinates","282657","2023-04-15","22:46:21",""
"7712770","7.7771","0.0006","5.5309","0.0004","24.5099","0.0017","90","","92.418","0.003","90","","1053.34","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H38 O4 Zn -","- C20 H38 O4 Zn -","- C40 H76 O8 Zn2 -","2","0.5","","Wagner, Molly; Pigliapochi, Roberta; DI TULLIO, VALERIA; Catalano, Jaclyn; Zumbulyadis, Nicholas; Centeno, Silvia; Wang, Xiaoling; Chen, Kuizhi; Hung, Ivan; Gan, Zhehong; Dworzak, Michael; Yap, Glenn P. A.; Dybowski, Cecil","Multi-Technique Structural Analysis of Zinc Carboxylates (Soaps)","Dalton Transactions","2023","","","","","10.1039/D3DT00184A","","","1.54178","CuKα","","0.0344","0.0337","","","0.0918","0.0934","","","","","","1.196","","","","has coordinates","282657","2023-04-15","22:46:22",""
"7712771","13.685","0.002","14.216","0.002","16.579","0.003","81.82","0.03","68.84","0.02","64.63","0.02","2717.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H83 Al Cl2 N4 Si2 -","- C54 H83 Al Cl2 N4 Si2 -","- C108 H166 Al2 Cl4 N8 Si4 -","2","1","","Roesky, Herbert W.; Ding, Yi; Nazish, Mohd; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","One Silicon Atom of Bis(silylene) Functions as a Selective Lewis Base under Adduct Formation with a Lewis Acid","Dalton Transactions","2023","","","","","10.1039/D3DT00811H","","","0.71073","MoKα","","0.04","0.0312","","","0.073","0.0776","","","","","","1.035","","","","has coordinates,has disorder","282658","2023-04-15","22:47:18",""
"7712772","12.844","0.002","14.573","0.002","18.054","0.003","74.93","0.02","88.59","0.03","72.68","0.02","3110","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H91 Al I2 N4 Si2 -","- C61 H91 Al I2 N4 Si2 -","- C122 H182 Al2 I4 N8 Si4 -","2","1","","Roesky, Herbert W.; Ding, Yi; Nazish, Mohd; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","One Silicon Atom of Bis(silylene) Functions as a Selective Lewis Base under Adduct Formation with a Lewis Acid","Dalton Transactions","2023","","","","","10.1039/D3DT00811H","","","0.71073","MoKα","","0.036","0.0265","","","0.0551","0.059","","","","","","1.027","","","","has coordinates","282658","2023-04-15","22:47:18",""
"7712773","15.547","0.002","16.319","0.002","26.239","0.003","79.42","0.02","88.48","0.03","69.93","0.02","6141.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H91 Cl2 Ga N4 Si2 -","- C61 H91 Cl2 Ga N4 Si2 -","- C244 H364 Cl8 Ga4 N16 Si8 -","4","2","","Roesky, Herbert W.; Ding, Yi; Nazish, Mohd; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","One Silicon Atom of Bis(silylene) Functions as a Selective Lewis Base under Adduct Formation with a Lewis Acid","Dalton Transactions","2023","","","","","10.1039/D3DT00811H","","","0.71073","MoKα","","0.0512","0.0367","","","0.0869","0.0942","","","","","","1.027","","","","has coordinates,has disorder","282658","2023-04-15","22:47:18",""
"7712774","7.3184","0.0001","12.255","0.0002","17.6833","0.0003","90","","90.789","0.001","90","","1585.81","0.04","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl4 O2 P2 Pd2 -","- C30 H30 Cl4 O2 P2 Pd2 -","- C60 H60 Cl8 O4 P4 Pd4 -","2","0.5","","Baweja, Saral; Gabler, Tom; Lönnecke, Peter; Hey-Hawkins, Evamarie","Metal phosphine aldehyde complexes and their application in Cu-free Sonogashira and Suzuki-Miyaura cross-coupling reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00507K","","","0.71073","MoKα","","0.0429","0.0343","","","0.0795","0.0854","","","","","","1.072","","","","has coordinates","282678","2023-04-17","22:58:52",""
"7712775","7.3786","0.0003","10.1292","0.0002","10.4543","0.0003","104.828","0.002","104.879","0.003","96.825","0.002","715.62","0.04","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cl2 O2 P2 Pd -","- C30 H30 Cl2 O2 P2 Pd -","- C30 H30 Cl2 O2 P2 Pd -","1","0.5","","Baweja, Saral; Gabler, Tom; Lönnecke, Peter; Hey-Hawkins, Evamarie","Metal phosphine aldehyde complexes and their application in Cu-free Sonogashira and Suzuki-Miyaura cross-coupling reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00507K","","","0.71073","MoKα","","0.0291","0.0258","","","0.0586","0.0605","","","","","","1.053","","","","has coordinates","282678","2023-04-17","22:58:57",""
"7712776","7.3669","0.0002","10.1536","0.0002","10.4253","0.0003","104.886","0.002","104.784","0.002","96.938","0.002","714.06","0.03","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cl2 O2 P2 Pt -","- C30 H30 Cl2 O2 P2 Pt -","- C30 H30 Cl2 O2 P2 Pt -","1","0.5","","Baweja, Saral; Gabler, Tom; Lönnecke, Peter; Hey-Hawkins, Evamarie","Metal phosphine aldehyde complexes and their application in Cu-free Sonogashira and Suzuki-Miyaura cross-coupling reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00507K","","","0.71073","MoKα","","0.0296","0.0294","","","0.0633","0.0635","","","","","","1.025","","","","has coordinates","282678","2023-04-17","22:59:09",""
"7712777","18.1964","0.0003","17.2411","0.0003","36.1385","0.0006","90","","90","","90","","11337.6","0.3","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 Cl2 O2 P2 Pt -","- C30 H30 Cl2 O2 P2 Pt -","- C480 H480 Cl32 O32 P32 Pt16 -","16","2","","Baweja, Saral; Gabler, Tom; Lönnecke, Peter; Hey-Hawkins, Evamarie","Metal phosphine aldehyde complexes and their application in Cu-free Sonogashira and Suzuki-Miyaura cross-coupling reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00507K","","","0.71073","MoKα","","0.052","0.0384","","","0.0733","0.0779","","","","","","1.1","","","","has coordinates","282678","2023-04-17","22:59:12",""
"7712778","8.5113","0.0002","13.2483","0.0004","15.9417","0.0004","78.77","0.003","79.406","0.002","73.437","0.003","1674.19","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[Bu4N][Ni(Me-thiazSedt)2]","","- C24 H42 N3 Ni S6 Se2 -","- C24 H42 N3 Ni S6 Se2 -","- C48 H84 N6 Ni2 S12 Se4 -","2","1","","Hachem, Hadi; Jeannin, olivier; Cui, Hengbo; Kato, Reizo; Fourmigué, Marc; Lorcy, Dominique","A highly conducting mixed-valence nickel bis(dithiolene) salt [Et4N][Ni(Me-thiazSe-dt)2]2 with selone substitution","Dalton Transactions","2023","","","","","10.1039/D3DT00767G","","x-ray","0.71073","MoKα","","0.1431","0.0703","","","0.1832","0.2156","","","","","","1.02","","","","has coordinates,has disorder","282679","2023-04-17","22:59:56",""
"7712779","8.2371","0.0011","11.5377","0.0017","12.3255","0.0016","65.007","0.005","87.675","0.005","70.068","0.005","990.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[Et4N] [Ni(Me-thiazSedt)2]2","","- C12 H16 N2.5 Ni S6 Se2 -","- C12 H16 N2.5 Ni S6 Se2 -","- C24 H32 N5 Ni2 S12 Se4 -","2","1","","Hachem, Hadi; Jeannin, olivier; Cui, Hengbo; Kato, Reizo; Fourmigué, Marc; Lorcy, Dominique","A highly conducting mixed-valence nickel bis(dithiolene) salt [Et4N][Ni(Me-thiazSe-dt)2]2 with selone substitution","Dalton Transactions","2023","","","","","10.1039/D3DT00767G","","x-ray","0.71073","MoKα","","0.1803","0.0638","","","0.1186","0.1486","","","","","","0.951","","","","has coordinates,has disorder","282679","2023-04-17","22:59:57",""
"7712780","33.367","0.003","16.739","0.0017","28.876","0.003","90","","90","","90","","16128","3","270","2","270","2","","","","","","","","6","I m a 2","I 2 -2a","46","UoC-9(Sr), RT","","","- C98 H74 F9 N5 O26 Sr5 -","- C98 H74 F9 N5 O26 Sr5 -","- C392 H296 F36 N20 O104 Sr20 -","4","0.5","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","0.56086","AgKα","","0.0642","0.0424","","","0.0949","0.1053","","","","","","1.008","","","","has coordinates,has disorder","282680","2023-04-17","23:01:46",""
"7712781","32.005","0.0009","16.563","0.0004","28.8501","0.0015","90","","90","","90","","15293.4","1","300","2","300","2","","","","","","","Synthesized from calciumnitrate with 3F-BTB in DMF/HOAc mixture","6","I m a 2","I 2 -2a","46","UoC-9(Ca), RT","","","- C98 H74 Ca5 F9 N5 O26 -","- C98 H74 Ca5 F9 N5 O26 -","- C392 H296 Ca20 F36 N20 O104 -","4","0.5","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","1.54178","CuKα","","0.0439","0.0384","","","0.1014","0.1047","","","","","","1.009","","","","has coordinates,has disorder","282680","2023-04-17","23:01:48",""
"7712782","33.398","0.0018","16.121","0.0008","29.589","0.0015","90","","90","","90","","15931","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","UoC-9(Sr), LT","","","- C104.85 H89.98 F9 N7.28 O27.28 Sr5 -","- C104.849 H89.981 F9 N7.283 O27.283 Sr5 -","- C419.396 H359.924 F36 N29.132 O109.132 Sr20 -","4","1","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","0.71073","MoKα","","0.1078","0.0676","","","0.1795","0.2085","","","","","","1.024","","","","has coordinates,has disorder","282680","2023-04-17","23:01:48",""
"7712783","31.6172","0.0008","16.5669","0.0004","28.5512","0.0007","90","","90","","90","","14955.1","0.6","100","2","100","2","","","","","","","Synthesized from calciumnitrate with 3F-BTB in DMF/HOAc mixture","6","P n a 21","P 2c -2n","33","UoC-9(Ca), LT","","","- C122 H130 Ca5 F9 N13 O33 -","- C122 H130 Ca5 F9 N13 O33 -","- C488 H520 Ca20 F36 N52 O132 -","4","1","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","1.54178","CuKα","","0.0452","0.0412","","","0.1087","0.1109","","","","","","1.034","","","","has coordinates,has disorder","282680","2023-04-17","23:01:48",""
"7712784","8.7805","0.0003","13.8362","0.0005","21.0836","0.0008","90","","96.183","0.001","90","","2546.52","0.16","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl5 In N4 O -","- C16 H32 Cl5 In N4 O -","- C64 H128 Cl20 In4 N16 O4 -","4","1","","Hao, Jiayue; An, Ran; Li, Yao; Wang, Ke; Song, Shuyan; Feng, Jing; Wang , Xinyu; Zhang, Hongjie","Facile synthesis of Sb3±doped (Bmim)2InCl5(H2O) through a grinding method for light-emitting diodes","Dalton Transactions","2023","","","","","10.1039/D3DT00673E","","","0.71073","MoKα","","0.0387","0.0304","","","0.064","0.0679","","","","","","1.078","","","","has coordinates,has disorder","282681","2023-04-17","23:02:41",""
"7712785","10.572","0.012","11.769","0.013","17.94","0.02","87.201","0.018","83.321","0.018","63.69","0.03","1987","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H53 B F3 N8 O3 S Yb -","- C33 H53 B F3 N8 O3 S Yb -","- C66 H106 B2 F6 N16 O6 S2 Yb2 -","2","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0296","0.0261","","","0.0587","0.0604","","","","","","1.069","","","","has coordinates","282705","2023-04-18","23:35:28",""
"7712786","9.5488","0.0004","23.9283","0.0011","16.2362","0.0007","90","","93.382","0.001","90","","3703.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B N7 Yb -","- C36 H58 B N7 Yb -","- C144 H232 B4 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0926","0.0512","","","0.1024","0.1196","","","","","","1.001","","","","has coordinates","282705","2023-04-18","23:35:29",""
"7712787","11.645","0.006","18.016","0.01","18.923","0.01","90","","98.925","0.01","90","","3922","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 B Cl N7 Yb -","- C36 H58 B Cl N7 Yb -","- C144 H232 B4 Cl4 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.036","0.0257","","","0.0536","0.058","","","","","","1.022","","","","has coordinates","282705","2023-04-18","23:35:29",""
"7712788","9.934","0.006","16.98","0.01","12.308","0.008","90","","93.396","0.016","90","","2072","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H66 B Eu N7 O -","- C40 H66 B Eu N7 O -","- C80 H132 B2 Eu2 N14 O2 -","2","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0378","0.0305","","","0.0635","0.0675","","","","","","1.041","","","","has coordinates,has disorder","282705","2023-04-18","23:35:29",""
"7712789","41.2689","0.0013","11.6943","0.0004","19.9784","0.0007","90","","90.435","0.001","90","","9641.5","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 B N7 O Si Yb -","- C46 H64 B N7 O Si Yb -","- C368 H512 B8 N56 O8 Si8 Yb8 -","8","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0369","0.0289","","","0.0649","0.0682","","","","","","1.03","","","","has coordinates,has disorder","282705","2023-04-18","23:35:29",""
"7712790","9.6523","0.0008","17.0921","0.0015","25.098","0.002","90","","90.584","0.001","90","","4140.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Al B F6 N7 Yb -","- C35 H53 Al B F6 N7 Yb -","- C140 H212 Al4 B4 F24 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0608","0.0433","","","0.0997","0.1096","","","","","","1.035","","","","has coordinates,has disorder","282705","2023-04-18","23:35:29",""
"7712791","11.123","0.0007","21.4324","0.0013","18.923","0.0011","90","","97.519","0.001","90","","4472.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 B N9 Yb -","- C43 H68 B N9 Yb -","- C172 H272 B4 N36 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0306","0.0238","","","0.0559","0.0586","","","","","","1.044","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712792","11.6245","0.0003","16.0723","0.0004","20.2693","0.0005","90","","104.346","0.001","90","","3668.87","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 B Cl F6 N7 Yb -","- C32 H44 B Cl F6 N7 Yb -","- C128 H176 B4 Cl4 F24 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0236","0.0201","","","0.0473","0.049","","","","","","1.048","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712793","11.3413","0.001","19.1966","0.0018","27.315","0.003","90","","90.707","0.002","90","","5946.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H82 B N9 Si Yb -","- C63 H82 B N9 Si Yb -","- C252 H328 B4 N36 Si4 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0583","0.036","","","0.0753","0.0846","","","","","","1.007","","","","has coordinates","282705","2023-04-18","23:35:30",""
"7712794","11.854","0.007","21.46","0.014","19.117","0.011","90","","96.938","0.01","90","","4828","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 B N8 Yb -","- C41 H63 B N8 Yb -","- C164 H252 B4 N32 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0818","0.0517","","","0.1168","0.1313","","","","","","0.961","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712795","9.6012","0.0008","17.1131","0.0014","25.2","0.002","90","","90.868","0.003","90","","4140","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 B F6 Ga N7 Yb -","- C35 H53 B F6 Ga N7 Yb -","- C140 H212 B4 F24 Ga4 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0981","0.0656","","","0.15","0.1674","","","","","","1.055","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712796","19.726","0.002","10.5723","0.0012","16.2311","0.0019","90","","90","","90","","3385","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H50 B N7 Yb -","- C32 H50 B N7 Yb -","- C128 H200 B4 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.058","0.036","","","0.0756","0.0872","","","","","","1.024","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712797","21.116","0.0014","13.3578","0.0009","32.769","0.002","90","","101.505","0.001","90","","9057.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H73 B N7 O Yb -","- C43 H73 B N7 O Yb -","- C344 H584 B8 N56 O8 Yb8 -","8","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0542","0.0446","","","0.0984","0.1014","","","","","","1.256","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712798","17.52","0.015","30.61","0.03","19.717","0.018","90","","103.34","0.03","90","","10289","16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H156 B2 Ga2 I N13 O2 Yb2 -","- C95 H156 B2 Ga2 I N13 O2 Yb2 -","- C380 H624 B8 Ga8 I4 N52 O8 Yb8 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.1963","0.0806","","","0.1817","0.2386","","","","","","1.008","","","","has coordinates","282705","2023-04-18","23:35:30",""
"7712799","11.675","0.008","18.213","0.013","18.789","0.013","90","","98.165","0.019","90","","3955","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 B Br N7 Yb -","- C36 H58 B Br N7 Yb -","- C144 H232 B4 Br4 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0345","0.0257","","","0.057","0.0612","","","","","","1.069","","","","has coordinates","282705","2023-04-18","23:35:30",""
"7712800","9.9313","0.0005","16.9639","0.0008","24.692","0.0012","90","","93.409","0.001","90","","4152.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 B N7 O Sm -","- C40 H66 B N7 O Sm -","- C160 H264 B4 N28 O4 Sm4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0486","0.0328","","","0.0767","0.0851","","","","","","1.028","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712801","46.844","0.002","19.2663","0.0008","28.8401","0.0013","90","","96.973","0.002","90","","25836","1.9","97","2","97","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H188 B4 Cl6 N24 Yb5 -","- C108 H188 B4 Cl6 N24 Yb5 -","- C864 H1504 B32 Cl48 N192 Yb40 -","8","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.1428","0.0537","","","0.0875","0.1168","","","","","","0.999","","","","has coordinates","282705","2023-04-18","23:35:30",""
"7712802","12.11","0.009","25.76","0.02","17.757","0.012","90","","92.761","0.012","90","","5533","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H85 B2 Eu N12 -","- C50.5 H85 B2 Eu N12 -","- C202 H340 B8 Eu4 N48 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0961","0.0498","","","0.1008","0.1195","","","","","","1.01","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712803","11.6419","0.0009","12.1357","0.001","17.4345","0.0014","100.123","0.003","107.912","0.003","90.396","0.003","2302.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H67 B F6 N7 O2 Yb -","- C43 H67 B F6 N7 O2 Yb -","- C86 H134 B2 F12 N14 O4 Yb2 -","2","2","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0837","0.0526","","","0.1091","0.1253","","","","","","1.067","","","","has coordinates,has disorder","282705","2023-04-18","23:35:31",""
"7712804","12.11","0.009","25.76","0.02","17.757","0.012","90","","92.761","0.012","90","","5533","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H86 B2 Eu N12 -","- C50.5 H86 B2 Eu N12 -","- C202 H344 B8 Eu4 N48 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0972","0.0511","","","0.1076","0.1274","","","","","","1.011","","","","has coordinates,has disorder","282705","2023-04-18","23:35:31",""
"7712805","11.7019","0.0011","16.167","0.0015","20.2544","0.0019","90","","104.127","0.001","90","","3715.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 B Br F6 N7 Yb -","- C32 H44 B Br F6 N7 Yb -","- C128 H176 B4 Br4 F24 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0459","0.0283","","","0.0559","0.0622","","","","","","1.029","","","","has coordinates,has disorder","282705","2023-04-18","23:35:31",""
"7712806","12.013","0.01","12.377","0.01","16.032","0.014","85.204","0.012","87.406","0.01","64.265","0.012","2140","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 B F6 N9 Yb -","- C39 H54 B F6 N9 Yb -","- C78 H108 B2 F12 N18 Yb2 -","2","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.0799","0.0531","","","0.1264","0.1439","","","","","","1.016","","","","has coordinates,has disorder","282705","2023-04-18","23:35:31",""
"7712807","15.27681","0.00017","19.2189","0.0003","15.42856","0.00019","90","","95.7072","0.0011","90","","4507.42","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Cl3 Co N4 P Si3 -","- C39 H63 Cl3 Co N4 P Si3 -","- C156 H252 Cl12 Co4 N16 P4 Si12 -","4","1","","Fan, Qingqing; Du, Xinyu; Yang, Wenjing; Li, Qingshuang; Huang, Wei; Sun, Hongjian; Hinz, Alexander; Li, Xiaoyan","Effects of silylene ligands on performance of carbonyl hydrosilylation catalyzed by cobalt phosphine complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00372H","","x-ray","1.54184","CuKα","","0.0548","0.045","","","0.1079","0.112","","","","","","1.061","","","","has coordinates","282706","2023-04-18","23:38:31",""
"7712808","27.1266","0.0007","12.8624","0.0003","12.9099","0.0003","90","","92.062","0.002","90","","4501.52","0.19","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C15 H35 Cl Co P3 Si -","- C15 H35 Cl Co P3 Si -","- C120 H280 Cl8 Co8 P24 Si8 -","8","1","","Fan, Qingqing; Du, Xinyu; Yang, Wenjing; Li, Qingshuang; Huang, Wei; Sun, Hongjian; Hinz, Alexander; Li, Xiaoyan","Effects of silylene ligands on performance of carbonyl hydrosilylation catalyzed by cobalt phosphine complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00372H","","x-ray","1.54184","CuKα","","0.0623","0.0548","","","0.141","0.147","","","","","","0.859","","","","has coordinates","282706","2023-04-18","23:38:34",""
"7712809","12.6906","0.0001","12.6906","0.0001","44.8678","0.0005","90","","90","","120","","6257.92","0.1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H18 In N3 Se3 -","- C18 H18 In N3 Se3 -","- C216 H216 In12 N36 Se36 -","12","0.333333","","Karmakar, Gourab; Dutta Pathak, Dipa; Tyagi, Adish; Mandal, Balaji P.; Wadawale, Amey; Gotluru, Kedarnath","Molecular Precursor Mediated Selective Synthesis of Phase Pure Cubic InSe and Hexagonal In2Se3 Nanostructures: New Anode Materials for Li-ion Batteries","Dalton Transactions","2023","","","","","10.1039/D3DT00234A","","x-ray","1.54184","CuKα","","0.0251","0.0249","","","0.06","0.0601","","","","","","1.125","","","","has coordinates","282707","2023-04-18","23:39:10",""
"7712810","8.6186","0.0001","21.6975","0.0003","20.3758","0.0003","90","","92.715","0.001","90","","3806.04","0.09","100","0.11","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(Phenyl tris(3-methylimidazol-1-yl-2-ylidene)borate)-cerium(iii)iodide","","- C36 H40 B2 Ce I N12 -","- C36 H40 B2 Ce I N12 -","- C144 H160 B8 Ce4 I4 N48 -","4","1","","Price, Amy N.; Gupta, Ankur K.; de Jong, Wibe A.; Arnold, Polly L.","Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00718a","","x-ray","0.71073","MoKα","","0.0265","0.0217","","","0.0481","0.0498","","","","","","1.051","","","","has coordinates","282708","2023-04-18","23:40:31",""
"7712811","11.028","0.0002","13.4919","0.0002","33.1783","0.0006","90","","98.164","0.002","90","","4886.53","0.15","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Phenyl (tetrakis-tetrahydrofuran lithium)(tris(3-methylimidazol-1-yl-2-ylidene)borate-cerium(iii) triiodide)","","- C41 H60 B Ce I3 Li N6 O4 -","- C41 H60 B Ce I3 Li N6 O4 -","- C164 H240 B4 Ce4 I12 Li4 N24 O16 -","4","1","","Price, Amy N.; Gupta, Ankur K.; de Jong, Wibe A.; Arnold, Polly L.","Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00718a","","x-ray","0.71073","MoKα","","0.0378","0.0295","","","0.0676","0.072","","","","","","1.03","","","","has coordinates,has disorder","282708","2023-04-18","23:40:32",""
"7712812","27.31031","0.00017","8.65621","0.00004","22.48352","0.00012","90","","109.431","0.0007","90","","5012.44","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-phenyl(tris(3-methylimidazol-1-yl-2-ylidene)borate (2,2'-bipyridyl radical anion) cerium(iii) toluene solvate","","- C53 H56 B2 Ce N14 -","- C53 H56 B2 Ce N14 -","- C212 H224 B8 Ce4 N56 -","4","1","","Price, Amy N.; Gupta, Ankur K.; de Jong, Wibe A.; Arnold, Polly L.","Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00718a","","x-ray","1.54184","CuKα","","0.022","0.0214","","","0.0575","0.0579","","","","","","1.039","","","","has coordinates,has disorder","282708","2023-04-18","23:40:33",""
"7712813","9.982","0.0001","21.917","0.0002","40.0903","0.0003","90","","90","","90","","8770.78","0.14","100","0.13","100","0.13","","","","","","","","6","P b c m","-P 2c 2b","57","","bis(Phenyl tris(3-methylimidazol-1-yl-2-ylidene)borate)-ytterbium(iii) iodide","","- C36 H40 B2 I N12 Yb -","- C36 H40 B2 I N12 Yb -","- C288 H320 B16 I8 N96 Yb8 -","8","1","","Price, Amy N.; Gupta, Ankur K.; de Jong, Wibe A.; Arnold, Polly L.","Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00718a","","x-ray","1.54184","CuKα","","0.0425","0.0408","","","0.0951","0.0962","","","","","","1.044","","","","has coordinates","282708","2023-04-18","23:40:33",""
"7712814","10.1129","0.0008","13.0517","0.001","13.8906","0.0009","77.079","0.002","73.709","0.002","85.307","0.002","1714.9","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C43 H32 Cl2 N2 O3 Pt -","- C43 H32 Cl2 N2 O3 Pt -","- C86 H64 Cl4 N4 O6 Pt2 -","2","1","","Kundu, Debsouri; Del Rio, Natalia; Cordier, Marie; Vanthuyne, Nicolas; Puttock, Emma V. Victoria; Meskers, Stefan C. J.; Williams, Gareth; Srebro-Hooper, Monika; Crassous, Jeanne","Enantiopure cycloplatinated pentahelicenic N-heterocyclic carbenic complexes that display long-lived circularly polarized phosphorescence.","Dalton Transactions","2023","","","","","10.1039/D3DT00577A","","x-ray","0.71073","MoKα","","0.038","0.031","","","0.0591","0.0613","","","","","","1.009","","","","has coordinates","282709","2023-04-18","23:41:13",""
"7712815","10.1989","0.0002","12.8405","0.0003","18.4168","0.0003","99.82","0.002","90.437","0.002","105.874","0.002","2282.13","0.08","120","0.11","120","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H50.75 Br4 Mn4 N10.25 O8 -","- C28.5 H50.75 Br4 Mn4 N10.25 O8 -","- C57 H101.5 Br8 Mn8 N20.5 O16 -","2","1","","Brechin, Euan K.; Agapaki, Eleftheria; Canaj, Angelos; Nichol, Gary Stephen","Tetra-, tetradeca- and octadecametallic clusters of Mn","Dalton Transactions","2023","","","","","10.1039/D3DT00732D","","x-ray","0.71073","MoKα","","0.0531","0.0332","","","0.057","0.0626","","","","","","1.047","","","","has coordinates","282710","2023-04-18","23:42:25",""
"7712816","15.108","0.0002","20.4454","0.0004","76.1586","0.0011","90","","90","","90","","23524.6","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C73 H111 Mn14 N9 O51 -","- C68 H102 Mn14 N8 O50 -","- C544 H816 Mn112 N64 O400 -","8","0.25","","Brechin, Euan K.; Agapaki, Eleftheria; Canaj, Angelos; Nichol, Gary Stephen","Tetra-, tetradeca- and octadecametallic clusters of Mn","Dalton Transactions","2023","","","","","10.1039/D3DT00732D","","x-ray","0.71073","MoKα","","0.0379","0.0329","","","0.0777","0.0799","","","","","","1.051","","","","has coordinates,has disorder","282710","2023-04-18","23:42:25",""
"7712817","15.1254","0.0004","15.3885","0.0004","15.9092","0.0003","103.925","0.002","99.153","0.002","117.635","0.002","3022.25","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C81 H121.5 Mn18 N16.5 O58 -","- C76 H114 Mn18 N14 O58 -","- C76 H114 Mn18 N14 O58 -","1","0.5","","Brechin, Euan K.; Agapaki, Eleftheria; Canaj, Angelos; Nichol, Gary Stephen","Tetra-, tetradeca- and octadecametallic clusters of Mn","Dalton Transactions","2023","","","","","10.1039/D3DT00732D","","x-ray","1.54184","CuKα","","0.0755","0.0486","","","0.1212","0.1365","","","","","","1.028","","","","has coordinates","282710","2023-04-18","23:42:25",""
"7712818","10.0554","0.0004","11.1554","0.0004","13.6202","0.0005","68.712","0.001","86.023","0.001","74.342","0.001","1370.03","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H29 Ce N5 O10 -","- C12 H13 Ce0.5 N2.5 O5 -","- C24 H26 Ce N5 O10 -","2","2","","Gumbo, Maureen; Makhubela, Banothile C.E.; Mehlana, Gift","Two Novel Metal-Organic Frameworks functionalised with pentamethylcyclopentadienyl iridium(III) chloride for catalytic conversion of carbon dioxide to formate","Dalton Transactions","2023","","","","","10.1039/D3DT00635B","","","0.71073","MoKα","","0.0349","0.028","","","0.0556","0.0581","","","","","","1.056","","","","has coordinates","282753","2023-04-19","23:48:06",""
"7712819","10.4137","0.0004","15.4601","0.0007","17.0359","0.0007","87.025","0.002","74.003","0.001","77.281","0.001","2571.71","0.19","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58.4 H39.8 Cl2.8 Ir N4 O4 S3 -","- C58.4 H39.8 Cl2.8 Ir N4 O4 S3 -","- C116.8 H79.6 Cl5.6 Ir2 N8 O8 S6 -","2","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0427","0.035","","","0.0752","0.0777","","","","","","1.068","","","","has coordinates,has disorder","282754","2023-04-19","23:53:09",""
"7712820","25.8571","0.0014","15.6822","0.0009","18.7424","0.0019","90","","126.919","0.001","90","","6076.1","0.8","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H40 Ir N4 O4 S -","- C61 H40 Ir N4 O4 S -","- C244 H160 Ir4 N16 O16 S4 -","4","0.5","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0798","0.0602","","","0.1607","0.1717","","","","","","1.028","","","","has coordinates,has disorder","282754","2023-04-19","23:53:12",""
"7712821","15.4518","0.0006","20.9908","0.0009","18.0568","0.0006","90","","97.622","0.001","90","","5804.9","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70.47 H47.2 Ir N4.73 O4 S -","- C70.4666 H47.1999 Ir N4.7333 O4 S -","- C281.866 H188.8 Ir4 N18.9332 O16 S4 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0553","0.0459","","","0.1281","0.1352","","","","","","1.067","","","","has coordinates,has disorder","282754","2023-04-19","23:53:13",""
"7712822","10.6807","0.0006","26.4091","0.0014","18.1462","0.001","90","","99.722","0.002","90","","5044.9","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Ir N4 O4 S -","- C63.0018 H45.0021 Ir N4 O4 S -","- C252.007 H180.008 Ir4 N16 O16 S4 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0711","0.0481","","","0.1132","0.1235","","","","","","1.048","","","","has coordinates,has disorder","282754","2023-04-19","23:53:13",""
"7712823","15.4885","0.0006","18.8194","0.0008","28.3873","0.0012","90","","100.212","0.002","90","","8143.4","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 Cl10 Ir2 N8 S4 -","- C88 H60 Cl10 Ir2 N8 S4 -","- C352 H240 Cl40 Ir8 N32 S16 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0617","0.038","","","0.078","0.0872","","","","","","1.018","","","","has coordinates","282754","2023-04-19","23:53:14",""
"7712824","16.251","0.003","35.942","0.006","37.688","0.006","90","","90","","90","","22013","7","300","","300","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C109.42 H70.84 Cl4.84 Ir2 N8 -","- C109.42 H70.84 Cl4.84 Ir2 N8 -","- C875.36 H566.72 Cl38.72 Ir16 N64 -","8","0.25","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0546","0.0427","","","0.1021","0.1072","","","","","","1.071","","","","has coordinates,has disorder","282754","2023-04-19","23:53:14",""
"7712825","22.761","0.001","18.6141","0.0008","25.971","0.0011","90","","110.7","0.001","90","","10292.9","0.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H68 Cl2 Ir2 N8 -","- C108 H68 Cl2 Ir2 N8 -","- C432 H272 Cl8 Ir8 N32 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0549","0.0363","","","0.0856","0.0924","","","","","","1.043","","","","has coordinates,has disorder","282754","2023-04-19","23:53:14",""
"7712826","15.3068","0.0014","20.1424","0.0017","26.75","0.002","92.839","0.003","102.348","0.003","97.433","0.003","7963.5","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C93.67 H63.34 Cl5.34 Ir2 N8 -","- C93.67 H63.34 Cl5.34 Ir2 N8 -","- C374.68 H253.36 Cl21.36 Ir8 N32 -","4","2","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0456","0.0364","","","0.0745","0.0774","","","","","","1.053","","","","has coordinates","282754","2023-04-19","23:53:14",""
"7712827","9.1681","0.0002","9.3185","0.0002","18.9846","0.0004","90","","95.902","0.001","90","","1613.31","0.06","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C84 H56 N8 S4 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0901","0.0658","","","0.1697","0.1863","","","","","","1.024","","","","has coordinates,has disorder","282754","2023-04-19","23:53:14",""
"7712828","9.1727","0.0006","15.271","0.0009","13.7145","0.0009","90","","105.267","0.003","90","","1853.3","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.086","0.0663","","","0.1148","0.1211","","","","","","1.152","","","","has coordinates","282754","2023-04-19","23:53:14",""
"7712829","17.1401","0.0006","11.0817","0.0004","26.8175","0.001","90","","94.554","0.001","90","","5077.7","0.3","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C103 H75 Cl23 Ir2 N8 -","- C103 H75 Cl23 Ir2 N8 -","- C206 H150 Cl46 Ir4 N16 -","2","0.5","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0408","0.0309","","","0.0565","0.0593","","","","","","1.025","","","","has coordinates,has disorder","282754","2023-04-19","23:53:15",""
"7712830","18.7713","0.0015","21.0313","0.0017","27.802","0.002","90","","90","","90","","10975.8","1.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62.25 H43.5 Cl2.5 Ir N4 O4 S -","- C62.25 H43.5 Cl2.5 Ir N4 O4 S -","- C498 H348 Cl20 Ir8 N32 O32 S8 -","8","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0624","0.0572","","","0.1348","0.1376","","","","","","1.187","","","","has coordinates,has disorder","282754","2023-04-19","23:53:15",""
"7712831","17.2379","0.001","17.7094","0.0011","19.7481","0.0012","112.254","0.002","90.911","0.002","93.085","0.002","5567.1","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C143.5 H111.25 Cl2 Ir2 N11.75 -","- C143.5 H111.25 Cl2 Ir2 N11.75 -","- C287 H222.5 Cl4 Ir4 N23.5 -","2","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0235","0.0201","","","0.0482","0.0501","","","","","","1.036","","","","has coordinates,has disorder","282754","2023-04-19","23:53:15",""
"7712832","19.5439","0.0006","17.494","0.0006","22.5983","0.0007","90","","98.773","0.001","90","","7636","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H55 Cl13 Ir2 N6 -","- C84 H55 Cl13 Ir2 N6 -","- C336 H220 Cl52 Ir8 N24 -","4","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0477","0.0349","","","0.0727","0.0771","","","","","","1.063","","","","has coordinates","282754","2023-04-19","23:53:15",""
"7712833","18.3752","0.0009","17.3873","0.0007","27.6519","0.0011","90","","98.499","0.002","90","","8737.6","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H31 Cl2 Ir N4 -","- C46.5 H31 Cl2 Ir N4 -","- C372 H248 Cl16 Ir8 N32 -","8","2","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0647","0.0504","","","0.116","0.1218","","","","","","1.04","","","","has coordinates","282754","2023-04-19","23:53:15",""
"7712834","36.0111","0.0003","36.0111","0.0003","12.1108","0.0002","90","","90","","90","","15705.3","0.3","100","","100","","","","","","","","","5","P 42/n :2","-P 4bc","86","","1","","- C26 H56 Br2 Fe Si8 -","- C26 H56 Br2 Fe Si8 -","- C416 H896 Br32 Fe16 Si128 -","16","2","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","1.54178","CuKα","","0.0536","0.0473","","","0.1249","0.1295","","","","","","1.035","","","","has coordinates","282755","2023-04-19","23:57:19",""
"7712835","18.8023","0.0014","16.3214","0.0013","11.9698","0.0009","90","","94.187","0.003","90","","3663.5","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4a","","- C26 H58 Fe Si8 -","- C26 H58 Fe Si8 -","- C104 H232 Fe4 Si32 -","4","1","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.045","0.0397","","","0.1088","0.1154","","","","","","0.813","","","","has coordinates","282755","2023-04-19","23:57:19",""
"7712836","11.9543","0.0006","13.4426","0.0007","13.3587","0.0006","90","","93.029","0.002","90","","2143.7","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6","","- C30 H70 Fe Si10 -","- C30 H70 Fe Si10 -","- C60 H140 Fe2 Si20 -","2","0.5","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0339","0.0272","","","0.0623","0.0656","","","","","","1.017","","","","has coordinates,has disorder","282755","2023-04-19","23:57:19",""
"7712837","17.7129","0.0009","18.7916","0.0007","12.3172","0.0006","90","","90","","90","","4099.8","0.3","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2","","- C28 H63 Br Fe Si9 -","- C28 H63 Br Fe Si9 -","- C112 H252 Br4 Fe4 Si36 -","4","0.5","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0355","0.0295","","","0.0788","0.082","","","","","","1.045","","","","has coordinates,has disorder","282755","2023-04-19","23:57:19",""
"7712838","9.6168","0.0003","10.865","0.0004","17.6366","0.0007","78.884","0.002","81.183","0.001","65.998","0.001","1646.09","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","3a","","- C24 H52 Fe Si7 -","- C24 H52 Fe Si7 -","- C48 H104 Fe2 Si14 -","2","1","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0396","0.0332","","","0.0871","0.0901","","","","","","1.023","","","","has coordinates","282755","2023-04-19","23:57:20",""
"7712839","19.7412","0.0007","20.9752","0.0007","19.7446","0.0007","90","","112.42","0.001","90","","7557.8","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4b","","- C26 H58 Fe Si8 -","- C26 H58 Fe Si8 -","- C208 H464 Fe8 Si64 -","8","2","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0772","0.0449","","","0.1106","0.1287","","","","","","1.031","","","","has coordinates","282755","2023-04-19","23:57:20",""
"7712840","11.1775","0.0006","12.2628","0.0006","13.4623","0.0007","79.414","0.002","68.618","0.002","80.572","0.002","1679.51","0.15","159","","159","","","","","","","","","4","P -1","-P 1","2","","3b","","- C24 H52 Fe Si7 -","- C24 H52 Fe Si7 -","- C48 H104 Fe2 Si14 -","2","1","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0392","0.033","","","0.0873","0.0911","","","","","","1.041","","","","has coordinates","282755","2023-04-19","23:57:20",""
"7712841","11.9336","0.0007","18.9321","0.0012","20.4215","0.0013","63.84","0.002","77.549","0.002","88.306","0.002","4032.5","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","5","","- C28 H64 Fe Si9 -","- C28 H64 Fe Si9 -","- C112 H256 Fe4 Si36 -","4","2","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0534","0.0423","","","0.1001","0.1055","","","","","","1.071","","","","has coordinates,has disorder","282755","2023-04-19","23:57:20",""
"7712842","17.4074","0.0006","35.0636","0.0012","12.7379","0.0004","90","","90","","90","","7774.8","0.4","102","","102","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H62 Fe Si8 -","- C28 H62 Fe Si8 -","- C224 H496 Fe8 Si64 -","8","2","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.0459","0.044","","","0.1201","0.1214","","","","","","1.048","","","","has coordinates,has disorder","282755","2023-04-19","23:57:20",""
"7712843","13.379","0.001","14.8016","0.0012","15.5176","0.0017","88.113","0.007","78.328","0.006","71.994","0.006","2860.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H56 Bi2 I9 La N8 O8 -","- C24 H56 Bi2 I9 La N8 O8 -","- C48 H112 Bi4 I18 La2 N16 O16 -","2","1","","Zhang, Jiahua; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Syntheses, Structures, photoelectric properties and photocatalysis of iodobismuthate hybrids with lanthanide complex cations","Dalton Transactions","2023","","","","","10.1039/D3DT00490B","","","0.71073","MoKα","","0.0558","0.0423","","","0.0758","0.08","","","","","","0.899","","","","has coordinates","282783","2023-04-20","22:53:19",""
"7712844","9.9686","0.0014","22.306","0.004","26.361","0.004","90","","97.401","0.005","90","","5812.8","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Bi2 Eu I9 N8 O8 -","- C24 H56 Bi2 Eu I9 N8 O8 -","- C96 H224 Bi8 Eu4 I36 N32 O32 -","4","1","","Zhang, Jiahua; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Syntheses, Structures, photoelectric properties and photocatalysis of iodobismuthate hybrids with lanthanide complex cations","Dalton Transactions","2023","","","","","10.1039/D3DT00490B","","","0.71073","MoKα","","0.0443","0.0407","","","0.1236","0.1306","","","","","","1.099","","","","has coordinates","282783","2023-04-20","22:53:20",""
"7712845","15.178","0.013","22.45","0.02","33.98","0.03","90","","95.06","0.03","90","","11533","18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H112 Bi4 I18 N16 O16 Tb2 -","- C48 H112 Bi4 I18 N16 O16 Tb2 -","- C192 H448 Bi16 I72 N64 O64 Tb8 -","4","1","","Zhang, Jiahua; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Syntheses, Structures, photoelectric properties and photocatalysis of iodobismuthate hybrids with lanthanide complex cations","Dalton Transactions","2023","","","","","10.1039/D3DT00490B","","","0.71073","MoKα","","0.085","0.0672","","","0.1519","0.1588","","","","","","1.16","","","","has coordinates","282783","2023-04-20","22:53:20",""
"7712846","14.8674","0.0014","13.0593","0.0009","15.2619","0.0012","90","","110.215","0.009","90","","2780.7","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H27 N5 O -","- C35 H27 N5 O -","- C140 H108 N20 O4 -","4","1","","Xiao, Wang-Chuan; Nie, Qing-Bin; Luo, Geng-Geng","Secondary hierarchical complexity in double-stranded cluster helicates covered by NNNNN type pincer ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00912B","","x-ray","0.71073","MoKα","","0.1573","0.0635","","","0.1128","0.1494","","","","","","1.025","","","","has coordinates","282784","2023-04-20","22:54:56",""
"7712847","17.4174","0.0002","17.4174","0.0002","18.9309","0.0003","90","","90","","90","","5742.99","0.13","173.01","0.1","173.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C70 H46 Ag4 N10 -","- C70 H46 Ag4 N10 -","- C280 H184 Ag16 N40 -","4","0.25","","Xiao, Wang-Chuan; Nie, Qing-Bin; Luo, Geng-Geng","Secondary hierarchical complexity in double-stranded cluster helicates covered by NNNNN type pincer ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00912B","","x-ray","1.54184","CuKα","","0.0326","0.0282","","","0.0683","0.0718","","","","","","1.081","","","","has coordinates","282784","2023-04-20","22:55:02",""
"7712848","12.3499","0.0004","12.5775","0.0005","23.4654","0.0009","78.877","0.003","81.598","0.003","75.717","0.003","3447.2","0.2","113","","113","","","","","","","","","8","P -1","-P 1","2","","GdCu","","- C51 H37 Cl3 Cu F30 Gd N5 O14 -","- C50 H36 Cu F30 Gd N5 O14 -","- C100 H72 Cu2 F60 Gd2 N10 O28 -","2","1","","Han, Jing; Jin, Chaoyi; Wang, Xiao-Tong; Huang, Xiaohui; Song, Hong-Wei; Xie, Junfang; Li, Licun","Magnetic relaxation in unique nitronyl nitroxide biradical-Ln-Cu chains with Ln-bis(NIT)-Cu-bis(NIT)-Ln units","Dalton Transactions","2023","","","","","10.1039/D3DT00752A","","x-ray","0.71073","MoKα","","0.0609","0.0445","","","0.0995","0.1067","","","","","","1.02","","","","has coordinates,has disorder","282792","2023-04-21","22:49:23",""
"7712849","12.488","0.003","12.66","0.003","23.659","0.005","78.95","0.03","81.23","0.03","75.61","0.03","3534.2","1.5","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H37 Cl3 Cu F30 N5 O14 Tb -","- C50 H36 Cu F30 N5 O14 Tb -","- C100 H72 Cu2 F60 N10 O28 Tb2 -","2","1","","Han, Jing; Jin, Chaoyi; Wang, Xiao-Tong; Huang, Xiaohui; Song, Hong-Wei; Xie, Junfang; Li, Licun","Magnetic relaxation in unique nitronyl nitroxide biradical-Ln-Cu chains with Ln-bis(NIT)-Cu-bis(NIT)-Ln units","Dalton Transactions","2023","","","","","10.1039/D3DT00752A","","","0.71073","MoKα","","0.1616","0.1384","","","0.3661","0.3889","","","","","","1.277","","","","has coordinates,has disorder","282792","2023-04-21","22:49:34",""
"7712850","12.3381","0.0003","12.5691","0.0003","23.3482","0.0006","78.869","0.002","81.766","0.002","75.581","0.002","3423.5","0.15","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H37 Cl3 Cu Dy F30 N5 O14 -","- C50 H36 Cu Dy F30 N5 O14 -","- C100 H72 Cu2 Dy2 F60 N10 O28 -","2","1","","Han, Jing; Jin, Chaoyi; Wang, Xiao-Tong; Huang, Xiaohui; Song, Hong-Wei; Xie, Junfang; Li, Licun","Magnetic relaxation in unique nitronyl nitroxide biradical-Ln-Cu chains with Ln-bis(NIT)-Cu-bis(NIT)-Ln units","Dalton Transactions","2023","","","","","10.1039/D3DT00752A","","x-ray","0.71073","MoKα","","0.0468","0.0369","","","0.0882","0.0924","","","","","","1.047","","","","has coordinates,has disorder","282792","2023-04-21","22:49:38",""
"7712851","12.3457","0.0003","12.5536","0.0004","23.3498","0.0008","78.907","0.003","81.807","0.003","75.538","0.003","3421.65","0.19","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H37 Cl3 Cu F30 Ho N5 O14 -","- C50 H36 Cu F30 Ho N5 O14 -","- C100 H72 Cu2 F60 Ho2 N10 O28 -","2","1","","Han, Jing; Jin, Chaoyi; Wang, Xiao-Tong; Huang, Xiaohui; Song, Hong-Wei; Xie, Junfang; Li, Licun","Magnetic relaxation in unique nitronyl nitroxide biradical-Ln-Cu chains with Ln-bis(NIT)-Cu-bis(NIT)-Ln units","Dalton Transactions","2023","","","","","10.1039/D3DT00752A","","x-ray","0.71073","MoKα","","0.0666","0.0446","","","0.097","0.1049","","","","","","1.022","","","","has coordinates,has disorder","282792","2023-04-21","22:49:49",""
"7712852","12.6585","0.0007","15.4887","0.0008","20.4525","0.0011","90","","92.16","0.002","90","","4007.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 F6 N2 O2 P2 Ru -","- C42 H40 F6 N2 O2 P2 Ru -","- C168 H160 F24 N8 O8 P8 Ru4 -","4","1","","Porwal, Pragti; Nayek, Sreshtha; Singh, Satyam; Sonawane, Avinash; Grabchev, Ivo; Ganguly, Rakesh; Mukhopadhyay, Suman","Studies on anticancer properties with varying co-ligands in Ru(II) arene benzimidazole system","Dalton Transactions","2023","","","","","10.1039/D3DT00528C","","","0.71073","MoKα","","0.0408","0.0338","","","0.0738","0.0788","","","","","","1.07","","","","has coordinates","282812","2023-04-24","22:56:34",""
"7712853","11.9791","0.0003","10.4431","0.0002","19.2928","0.0004","90","","97.4043","0.0008","90","","2393.38","0.09","103","2","103","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C45 H61 Cl5 N4 O3 Ru3 -","- C45 H61 Cl5 N4 O3 Ru3 -","- C90 H122 Cl10 N8 O6 Ru6 -","2","1","","Porwal, Pragti; Nayek, Sreshtha; Singh, Satyam; Sonawane, Avinash; Grabchev, Ivo; Ganguly, Rakesh; Mukhopadhyay, Suman","Studies on anticancer properties with varying co-ligands in Ru(II) arene benzimidazole system","Dalton Transactions","2023","","","","","10.1039/D3DT00528C","","","0.71073","MoKα","","0.0292","0.0247","","","0.0447","0.0458","","","","","","1.031","","","","has coordinates","282812","2023-04-24","22:56:35",""
"7712854","25.5096","0.0019","16.3107","0.001","41.832","0.003","90","","99.765","0.006","90","","17153","2","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C128 H80 N16 Pd4 -","- C128 H80 N16 Pd4 -","- C512 H320 N64 Pd16 -","4","1","","Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Construction of Pd-based coordination cages with three geometrically distinct ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00248a","","x-ray","1.54184","CuKα","","0.1757","0.1176","","","0.3319","0.3568","","","","","","0.936","","","","has coordinates","282813","2023-04-24","22:57:56",""
"7712855","28.1944","0.0018","18.4331","0.0018","17.3971","0.0012","90","","105.824","0.007","90","","8698.8","1.2","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C96 H64 N16 Pd4 -","- C96 H64 N16 Pd4 -","- C192 H128 N32 Pd8 -","2","0.5","","Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Construction of Pd-based coordination cages with three geometrically distinct ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00248a","","x-ray","0.71073","MoKα","","0.0605","0.0335","","","0.0683","0.0777","","","","","","0.823","","","","has coordinates","282813","2023-04-24","22:57:57",""
"7712856","19.4282","0.0007","21.0392","0.0005","24.7683","0.0006","91.918","0.002","109.85","0.003","91.61","0.002","9508.9","0.5","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C136 H88 N16 Pd4 -","- C136 H88 N16 Pd4 -","- C272 H176 N32 Pd8 -","2","1","","Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Construction of Pd-based coordination cages with three geometrically distinct ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00248a","","x-ray","1.54184","CuKα","","0.1428","0.1177","","","0.3805","0.4032","","","","","","1.671","","","","has coordinates","282813","2023-04-24","22:57:57",""
"7712857","11.3697","0.0002","65.3984","0.0008","11.7619","0.0002","90","","118.507","0.003","90","","7685.3","0.3","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H40 B4 F16 N8 Pd2 -","- C64 H40 B4 F16 N8 Pd2 -","- C256 H160 B16 F64 N32 Pd8 -","4","2","","Li, Ru-Jin; de Montmollin, Jean; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Construction of Pd-based coordination cages with three geometrically distinct ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00248a","","x-ray","1.54184","CuKα","","0.0703","0.062","","","0.1698","0.1748","","","","","","1.121","","","","has coordinates","282813","2023-04-24","22:57:57",""
"7712858","10.2949","0.0007","10.3859","0.0008","17.1736","0.0012","78.478","0.006","81.896","0.006","67.135","0.007","1653.8","0.2","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H50 Ca N5 O -","- C35 H50 Ca N5 O -","- C70 H100 Ca2 N10 O2 -","2","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0657","0.053","","","0.1348","0.1439","","","","","","1.005","","","","has coordinates,has disorder","282834","2023-04-25","22:55:02",""
"7712859","10.595","0.0001","17.4079","0.0002","10.6623","0.0001","90","","109.774","0.001","90","","1850.56","0.03","180","0.1","180","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H49 Ca N5 S -","- C38 H49 Ca N5 S -","- C76 H98 Ca2 N10 S2 -","2","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0521","0.0512","","","0.1328","0.134","","","","","","1.044","","","","has coordinates,has disorder","282834","2023-04-25","22:55:06",""
"7712860","22.5884","0.0003","18.63906","0.00018","19.03955","0.00018","90","","90","","90","","8016.16","0.15","192","3","192","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H49 Ca N5 Se -","- C38 H49 Ca N5 Se -","- C304 H392 Ca8 N40 Se8 -","8","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0506","0.0436","","","0.1151","0.1203","","","","","","1.037","","","","has coordinates","282834","2023-04-25","22:55:07",""
"7712861","11.1141","0.0004","12.0745","0.0003","14.6995","0.0005","78.371","0.002","70.616","0.003","68.461","0.003","1723.71","0.11","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H62 Br2 Ca2 N4 O4 -","- C86 H62 Br2 Ca2 N4 O4 -","- C86 H62 Br2 Ca2 N4 O4 -","1","0.5","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0316","0.029","","","0.0754","0.0778","","","","","","1.022","","","","has coordinates","282834","2023-04-25","22:55:07",""
"7712862","12.2707","0.0002","12.5295","0.0002","17.685","0.0002","90","","95.423","0.001","90","","2706.82","0.07","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 Br2 Ca2 N4 O4 -","- C60 H58 Br2 Ca2 N4 O4 -","- C120 H116 Br4 Ca4 N8 O8 -","2","0.5","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0448","0.0382","","","0.1021","0.1075","","","","","","1.032","","","","has coordinates,has disorder","282834","2023-04-25","22:55:07",""
"7712863","9.9398","0.0003","10.1072","0.0004","17.299","0.0006","89.334","0.003","74.032","0.003","70.382","0.003","1567.6","0.1","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 Ca I N5 -","- C31 H42 Ca I N5 -","- C62 H84 Ca2 I2 N10 -","2","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","0.71073","MoKα","","0.0422","0.0359","","","0.0778","0.0802","","","","","","1.158","","","","has coordinates","282834","2023-04-25","22:55:07",""
"7712864","13.30148","0.0001","20.12994","0.00016","18.18427","0.00015","90","","95.7924","0.0007","90","","4844.12","0.07","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Ca N5 O3 -","- C52 H66 Ca N5 O3 -","- C208 H264 Ca4 N20 O12 -","4","1","","Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan","A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies","Dalton Transactions","2023","","","","","10.1039/D3DT00301A","","x-ray","1.54184","CuKα","","0.0573","0.0545","","","0.1517","0.1547","","","","","","1.029","","","","has coordinates,has disorder","282834","2023-04-25","22:55:07",""
"7712865","11.273","0.002","16.66","0.003","16.747","0.003","104.388","0.007","96.648","0.008","106.752","0.009","2857.1","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","CUST-736","","- C72 H132 N14 Ni3 O58 S2 -","- C72 H68 N14 Ni3 O26 S2 -","- C72 H68 N14 Ni3 O26 S2 -","1","0.5","","Feng, Zhen-Jie; Li, Jun-Jun; Sun, Jing; Wu, Xue-Song; Li, Ying; Wu, Di; Li, Shi-Hao; Wang, Xinlong; Su, Zhong-Min","Enhanced proton conductivity by guest molecules exchange in an acylamide-functionalized metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01028G","","","0.71073","MoKα","","0.0859","0.0525","","","0.1231","0.1334","","","","","","1.097","","","","has coordinates","282835","2023-04-25","22:56:03",""
"7712866","10.0941","0.0003","10.0305","0.0002","6.4002","0.0002","90","","90","","90","","648.01","0.03","295.66","0.1","295.66","0.1","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ag P S4 Sr -","- Ag0.99 P S4 Sr -","- Ag3.96 P4 S16 Sr4 -","4","0.5","","Xing, Wenhao; Tang, Jian; Liang, Fei; Tang, Chunlan; Wu, Jieyun; Yin, Wenlong; Bin, Kang; Deng, Jianguo","Quaternary alkaline-earth metal thiophosphate SrAgPS4: syntheses, structure, and optical properties","Dalton Transactions","2023","","","","","10.1039/D3DT00793F","","x-ray","1.54184","CuKα","","0.0237","0.0233","","","0.057","0.0572","","","","","","1.11","","","","has coordinates,has disorder","282836","2023-04-25","22:56:33",""
"7712867","10.5832","0.0005","8.8168","0.0007","20.0863","0.0017","90","","99.314","0.003","90","","1849.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Ag N O3 S2 -","- C16 H26 Ag N O3 S2 -","- C64 H104 Ag4 N4 O12 S8 -","4","1","","Gaudillat, Quentin; Krupp, Anna; Zwingelstein, Thibaut; Humblot, Vincent; Strohman, Carsten; Jourdain, Isabelle; Knorr, Michael; Viau, Lydie","Silver-based coordination polymers assembled by dithioether ligands: potential antibacterial materials despite received ideas","Dalton Transactions","2023","","","","","10.1039/D3DT00683B","","x-ray","0.71073","MoKα","","0.0275","0.0219","","","0.0497","0.0528","","","","","","1.042","","","","has coordinates","282837","2023-04-25","22:57:17",""
"7712868","10.5968","0.0006","8.2082","0.0005","10.9599","0.0006","90","","91.2","0.002","90","","953.09","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H14 Ag2 N2 O6 S2 -","- C16 H14 Ag2 N2 O6 S2 -","- C32 H28 Ag4 N4 O12 S4 -","2","1","","Gaudillat, Quentin; Krupp, Anna; Zwingelstein, Thibaut; Humblot, Vincent; Strohman, Carsten; Jourdain, Isabelle; Knorr, Michael; Viau, Lydie","Silver-based coordination polymers assembled by dithioether ligands: potential antibacterial materials despite received ideas","Dalton Transactions","2023","","","","","10.1039/D3DT00683B","","x-ray","0.71073","MoKα","","0.0279","0.0257","","","0.0522","0.0538","","","","","","1.202","","","","has coordinates","282837","2023-04-25","22:57:18",""
"7712869","12.398","0.003","7.007","0.0014","11.482","0.002","90","","90","","90","","997.5","0.4","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cd3 K2 O23 U6 -","- Cd3 K2 O23 U6 -","- Cd6 K4 O46 U12 -","2","0.25","","Ablott, Timothy; Lu, Kim; Wei, Tao; Zhang, Yingjie","Exploring the influence of pH on the structural intricacies of uranium oxide hydrates containing both Cd(II) and K(I) ions","Dalton Transactions","2023","","","","","10.1039/D3DT00630A","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.03","0.0294","","","0.0814","0.0822","","","","","","1.081","","","","has coordinates","282838","2023-04-25","22:58:09",""
"7712870","11.589","0.002","21.125","0.004","14.596","0.003","90","","104.23","0.03","90","","3463.7","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd0.5 K2.5 O39 U11 -","- Cd0.5 K2.5 O39 U11 -","- Cd2 K10 O156 U44 -","4","0.5","","Ablott, Timothy; Lu, Kim; Wei, Tao; Zhang, Yingjie","Exploring the influence of pH on the structural intricacies of uranium oxide hydrates containing both Cd(II) and K(I) ions","Dalton Transactions","2023","","","","","10.1039/D3DT00630A","","","0.71086","silicondoublecrystalmonochromatedsynchrotron","","0.0634","0.0538","","","0.1327","0.1488","","","","","","1.114","","","","has coordinates","282838","2023-04-25","22:58:09",""
"7712871","11.3445","0.0014","13.716","0.003","14.665","0.002","66.288","0.006","81.061","0.006","81.653","0.006","2055.2","0.6","110","","110","","","","","","","","","4","P -1","-P 1","2","","Dimethyl (E)-2-(4-(diphenylphosphoryl)but-2-en-1-yl) malonate","","- C21 H23 O5 P -","- C21 H23 O5 P -","- C84 H92 O20 P4 -","4","2","","Adjei, Jeanette A.; Kerr, Michael A.; Ragogna, Paul J.","UV Induced Hydrophosphination of Dimethyl-2-Vinylcyclopropane-1, 1-Dicarboxylate Towards Phosphine Chalcogenides","Dalton Transactions","2023","","","","","10.1039/D3DT00791J","","","0.71073","MoKα","","0.0698","0.0443","","","0.0988","0.1067","","","","","","1.071","","","","has coordinates","282839","2023-04-25","22:58:57",""
"7712872","12.5836","0.0006","14.5133","0.0007","24.974","0.0011","90","","90","","90","","4561","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Cl2 N2 Pt S2 -","- C26 H16 Cl2 N2 Pt S2 -","- C208 H128 Cl16 N16 Pt8 S16 -","8","1","","Corral-Zorzano, Andrea; Gómez de Segura, David; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent 2-phenylbenzothiazole Pt<sup>IV</sup> bis-cyclometalated complexes with phenanthroline-based ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00801k","","x-ray","0.71076","MoKα","","0.0156","0.015","","","0.0345","0.0349","","","","","","1.102","","","","has coordinates","282862","2023-04-26","22:58:19",""
"7712873","19.07","0.004","17.181","0.004","9.1111","0.0019","90","","91","","90","","2984.7","1.1","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 F6 N2 O4 Pt S2 -","- C30 H16 F6 N2 O4 Pt S2 -","- C120 H64 F24 N8 O16 Pt4 S8 -","4","1","","Corral-Zorzano, Andrea; Gómez de Segura, David; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent 2-phenylbenzothiazole Pt<sup>IV</sup> bis-cyclometalated complexes with phenanthroline-based ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00801k","","x-ray","0.71073","MoKα","","0.0314","0.0246","","","0.0542","0.0587","","","","","","1.102","","","","has coordinates","282862","2023-04-26","22:58:19",""
"7712874","14.0515","0.0015","15.0725","0.0015","17.2359","0.0019","90","","90","","90","","3650.4","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C38 H24 F12 N4 P2 Pt S2 -","- C38 H24 F12 N4 P2 Pt S2 -","- C152 H96 F48 N16 P8 Pt4 S8 -","4","0.5","","Corral-Zorzano, Andrea; Gómez de Segura, David; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent 2-phenylbenzothiazole Pt<sup>IV</sup> bis-cyclometalated complexes with phenanthroline-based ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00801k","","x-ray","0.71073","MoKα","","0.0295","0.0278","","","0.0602","0.0605","","","","","","1.249","","","","has coordinates","282862","2023-04-26","22:58:19",""
"7712875","11.3268","0.0002","15.5229","0.0003","17.3816","0.0003","101.456","0.0016","98.3563","0.0016","107.534","0.0016","2786.4","0.1","99.93","0.18","99.93","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C64 H42 Br2 N7 -","- C64 H45 Br2 N7 -","- C128 H90 Br4 N14 -","2","1","","Zhong, Wanying; Wang, Zhantao; Yu, Wei-Dong; Wang, Ning; Fu, Fan; Wang, Jun; Zhao, He; Liu, Die; Jiang, Zhilong; Wang, Pingshan; Chen, Mingzhao","Bi-directional geometric constraints in the construction of giant dual-rim nanorings","Dalton Transactions","2023","","","","","10.1039/D3DT00897E","","x-ray","0.71073","MoKα","","0.0659","0.0429","","","0.1137","0.1208","","","","","","1.055","","","","has coordinates","282863","2023-04-26","22:59:20",""
"7712876","15.1349","0.0002","24.4882","0.0003","26.4272","0.0003","66.83","0.001","87.714","0.001","88.717","0.001","8997.2","0.2","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C114.29 H90.18 N14.3 O1.8 -","- C114.291 H90.179 N14.2985 O1.7985 -","- C457.164 H360.716 N57.194 O7.194 -","4","2","","Zhong, Wanying; Wang, Zhantao; Yu, Wei-Dong; Wang, Ning; Fu, Fan; Wang, Jun; Zhao, He; Liu, Die; Jiang, Zhilong; Wang, Pingshan; Chen, Mingzhao","Bi-directional geometric constraints in the construction of giant dual-rim nanorings","Dalton Transactions","2023","","","","","10.1039/D3DT00897E","","x-ray","1.54178","CuKα","","0.132","0.0967","","","0.2886","0.3252","","","","","","1.222","","","","has coordinates,has disorder","282863","2023-04-26","22:59:20",""
"7712877","15.8989","0.0006","19.4839","0.0007","11.8251","0.0004","90","","91.561","0.002","90","","3661.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 F3 Ir N3 O4 S Si -","- C34 H45 F3 Ir N3 O4 S Si -","- C136 H180 F12 Ir4 N12 O16 S4 Si4 -","4","1","","Gomez-España, Alejandra; Lopez-Morales, Jorge L; Español-Sanchez, Belinda; García-Orduña, Pilar; Lahoz, Fernando J.; Iglesias, Manuel; Fernandez-Alvarez, Francisco J","Iridium-(κ2-NSi) Catalyzed Dehydrogenation of Formic Acid: Effect of Auxiliary Ligands on the Catalytic Performance","Dalton Transactions","2023","","","","","10.1039/D3DT00744H","","x-ray","0.7294","synchrotron","","0.0693","0.0595","","","0.1654","0.1756","","","","","","1.076","","","","has coordinates","282864","2023-04-26","22:59:58",""
"7712878","12.398","0.003","7.007","0.0014","11.482","0.002","90","","90","","90","","997.5","0.4","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cd3 K2 O23 U6 -","- Cd3 K2 O23 U6 -","- Cd6 K4 O46 U12 -","2","0.25","","Liu, Qi; Shen, Daozhen; Sha, Yanyong; Chen, Chen; Chen, Xiaojuan; Jiang, Qingyan; Liu, Hong-Jiang; Liu, Wenlong","A one-dimensional cobalt-based coordination polymer as a cathode material of lithium-ion batteries","Dalton Transactions","2023","","","","","10.1039/D3DT00398A","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.03","0.0294","","","0.0814","0.0822","","","","","","1.081","","","","has coordinates","282865","2023-04-26","23:00:36",""
"7712879","11.589","0.002","21.125","0.004","14.596","0.003","90","","104.23","0.03","90","","3463.7","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd0.5 K2.5 O39 U11 -","- Cd0.5 K2.5 O39 U11 -","- Cd2 K10 O156 U44 -","4","0.5","","Liu, Qi; Shen, Daozhen; Sha, Yanyong; Chen, Chen; Chen, Xiaojuan; Jiang, Qingyan; Liu, Hong-Jiang; Liu, Wenlong","A one-dimensional cobalt-based coordination polymer as a cathode material of lithium-ion batteries","Dalton Transactions","2023","","","","","10.1039/D3DT00398A","","","0.71086","silicondoublecrystalmonochromatedsynchrotron","","0.0634","0.0538","","","0.1327","0.1488","","","","","","1.114","","","","has coordinates","282865","2023-04-26","23:00:45",""
"7712880","9.3138","0.0006","16.1466","0.0011","16.5173","0.001","104.669","0.002","93.059","0.002","101.198","0.002","2343.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H53 B Cl Fe Mn N16 O4 -","- C40 H46 B Cl Fe Mn N15 O3 -","- C80 H92 B2 Cl2 Fe2 Mn2 N30 O6 -","2","1","","Kumar, Akhilesh NIDHI; Rajput, Amit; Kaur, Pawanjeet; Verma, Indresh; Erande, Rohan; Javed, Saleem; Kłak, Julia; Alrebei, Shefa F.; Colacio, Enrique; Mota, Antonio J.; Arora, Himanshu","Experimental and theoretical magnetostructural study on discrete heterometallic cyanide-bridged dinuclear FeIIIMnII and tetranuclear FeIII2CuII2 complexes bearing a tripodal pyrazolyl borate and tetradentate phenolate-based ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00604B","","","0.71073","MoKα","","0.1448","0.0748","","","0.1563","0.1925","","","","","","1.002","","","","has coordinates","282866","2023-04-26","23:01:36",""
"7712881","12.1562","0.0014","14.2336","0.0016","15.56","0.0018","95.765","0.004","105.73","0.004","108.664","0.003","2402.9","0.5","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C88 H104 B2 Cl2 Cu2 Fe2 N30 O16 -","- C76 H76 B2 Cl2 Cu2 Fe2 N26 O12 -","- C76 H76 B2 Cl2 Cu2 Fe2 N26 O12 -","1","0.5","","Kumar, Akhilesh NIDHI; Rajput, Amit; Kaur, Pawanjeet; Verma, Indresh; Erande, Rohan; Javed, Saleem; Kłak, Julia; Alrebei, Shefa F.; Colacio, Enrique; Mota, Antonio J.; Arora, Himanshu","Experimental and theoretical magnetostructural study on discrete heterometallic cyanide-bridged dinuclear FeIIIMnII and tetranuclear FeIII2CuII2 complexes bearing a tripodal pyrazolyl borate and tetradentate phenolate-based ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00604B","","","0.71073","MoKα","","0.0834","0.0637","","","0.1319","0.1409","","","","","","1.096","","","","has coordinates","282866","2023-04-26","23:01:36",""
"7712882","8.5428","0.0001","14.8844","0.0001","15.9219","0.0001","107.144","0.001","103.532","0.001","92.72","0.001","1866.05","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cl F6 N5 O2 Pt -","- C40 H32 Cl F6 N5 O2 Pt -","- C80 H64 Cl2 F12 N10 O4 Pt2 -","2","1","","Deriabin, Konstantin V.; Golovenko, Ekaterina A.; Antonov, Nikita S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Islamova, Regina M.","Platinum macrocatalyst for heterogeneous Si-O dehydrocoupling.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00651d","","x-ray","1.54184","CuKα","","0.0279","0.0263","","","0.064","0.0652","","","","","","1.031","","","","has coordinates","282867","2023-04-26","23:02:06",""
"7712883","17.1007","0.0019","16.2849","0.0018","17.357","0.002","90","","118.394","0.003","90","","4252.1","0.8","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br4 Mn P2 -","- C32 H72 Br4 Mn P2 -","- C128 H288 Br16 Mn4 P8 -","4","1","","Adranno, Brando; Paterlini, Veronica; Smetana, Volodymyr; Bousrez, Guillaume; Ovchinnikov, Alexander; Mudring, Anja-Verena","Enhanced stability and complex phase behaviour of organic–inorganic green-emitting ionic manganese halides","Dalton Transactions","2023","","","","","10.1039/D2DT03817J","","","0.71073","MoKα","","0.1244","0.0544","","","0.118","0.1441","","","","","","1.024","","","","has coordinates","282868","2023-04-26","23:02:29",""
"7712884","13.055","0.0004","9.2569","0.0003","24.1295","0.0007","90","","95.954","0.001","90","","2900.29","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 B F4 N4 O2 Pt -","- C29 H37 B F4 N4 O2 Pt -","- C116 H148 B4 F16 N16 O8 Pt4 -","4","1","","Tomat, Elisa; Curtis, Clayton J.; Astashkin, Andrei V.; Conradie, Jeanet; Ghosh, Abhik","Multicenter interactions and ligand field effects in platinum(ii) tripyrrindione radicals","Dalton Transactions","2023","","","","","10.1039/D3DT00894K","","","0.71073","MoKα","","0.0242","0.0218","","","0.0488","0.0498","","","","","","1.055","","","","has coordinates","282890","2023-04-27","22:52:09",""
"7712885","10.982","0.002","14.662","0.004","14.409","0.003","90","","111.249","0.008","90","","2162.4","0.8","101.38","","101.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N3 O3 Pt -","- C24 H30 N3 O3 Pt -","- C96 H120 N12 O12 Pt4 -","4","1","","Tomat, Elisa; Curtis, Clayton J.; Astashkin, Andrei V.; Conradie, Jeanet; Ghosh, Abhik","Multicenter interactions and ligand field effects in platinum(ii) tripyrrindione radicals","Dalton Transactions","2023","","","","","10.1039/D3DT00894K","","","0.71073","MoKα","","0.028","0.0217","","","0.0504","0.0531","","","","","","1.024","","","","has coordinates","282890","2023-04-27","22:52:15",""
"7712886","12.453","0.004","15.634","0.005","16.23","0.005","118.24","0.009","110.211","0.01","92.715","0.01","2525.9","1.4","102.25","","102.25","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 B F4 N3 O3 Pt -","- C24 H30 B F4 N3 O3 Pt -","- C96 H120 B4 F16 N12 O12 Pt4 -","4","2","","Tomat, Elisa; Curtis, Clayton J.; Astashkin, Andrei V.; Conradie, Jeanet; Ghosh, Abhik","Multicenter interactions and ligand field effects in platinum(ii) tripyrrindione radicals","Dalton Transactions","2023","","","","","10.1039/D3DT00894K","","","0.71073","MoKα","","0.035","0.0273","","","0.061","0.0639","","","","","","1.036","","","","has coordinates,has disorder","282890","2023-04-27","22:52:18",""
"7712887","11.4084","0.0009","9.6436","0.0006","25.018","0.002","90","","101.878","0.004","90","","2693.5","0.3","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N4 O2 Pt -","- C29 H37 N4 O2 Pt -","- C116 H148 N16 O8 Pt4 -","4","1","","Tomat, Elisa; Curtis, Clayton J.; Astashkin, Andrei V.; Conradie, Jeanet; Ghosh, Abhik","Multicenter interactions and ligand field effects in platinum(ii) tripyrrindione radicals","Dalton Transactions","2023","","","","","10.1039/D3DT00894K","","","0.71073","MoKα","","0.0456","0.0292","","","0.0599","0.0654","","","","","","1.013","","","","has coordinates,has disorder","282890","2023-04-27","22:52:20",""
"7712888","11.3387","0.0013","14.782","0.0017","16.0037","0.0019","115.799","0.001","99.611","0.001","92.807","0.001","2358.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cu2 Mo4 N12 O13 -","- C38 H36 Cu2 Mo4 N12 O13 -","- C76 H72 Cu4 Mo8 N24 O26 -","2","1","","Zhang, Zhengguo; Lv, Hongxiao; Yang, Kun; Zhang, Xiutang","θ-[Mo8O26]4–Based Multifunctional Hybrid Material for High Catalytic Performance on Cycloaddition of CO2, Esterification and Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT00554B","","","0.71073","MoKα","","0.0429","0.0297","","","0.0618","0.0663","","","","","","1.038","","","","has coordinates","282891","2023-04-27","22:53:02",""
"7712889","19.474","0.003","11.2064","0.0016","28.978","0.004","90","","90","","90","","6324","1.6","106","2","106","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C120 Cl10 -","- C120 Cl10 -","- C480 Cl40 -","4","1","","Brotsman, Victor A.; Tamm, Nadezhda B.; Ioffe, Ilya N.; Eliseev, Andrei A.; Goryunkov, Alexey A.; Lyssenko, Konstantin A.; Troyanov, Sergey I.","Dimeric and 1D polymeric low-chlorinated C<sub>60</sub> fullerenes, (C<sub>60</sub>Cl<sub>5</sub>)<sub>2</sub> and (C<sub>60</sub>Cl<sub>4</sub>)<sub>∞</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00887h","","","0.71073","MoKα","","0.0903","0.0588","","","0.1246","0.1388","","","","","","1.003","","","","has coordinates","282912","2023-04-28","22:53:09",""
"7712890","19.4815","0.0009","11.2123","0.0006","28.9836","0.0018","90","","90","","90","","6331","0.6","106","2","106","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C120 Cl10 -","- C120 Cl10 -","- C480 Cl40 -","4","1","","Brotsman, Victor A.; Tamm, Nadezhda B.; Ioffe, Ilya N.; Eliseev, Andrei A.; Goryunkov, Alexey A.; Lyssenko, Konstantin A.; Troyanov, Sergey I.","Dimeric and 1D polymeric low-chlorinated C<sub>60</sub> fullerenes, (C<sub>60</sub>Cl<sub>5</sub>)<sub>2</sub> and (C<sub>60</sub>Cl<sub>4</sub>)<sub>∞</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00887h","","","0.71073","MoKα","","0.0746","0.053","","","0.1069","0.1145","","","","","","1.005","","","","has coordinates","282912","2023-04-28","22:53:10",""
"7712891","11.919","0.002","12.101","0.002","12.228","0.002","90","","104.11","0.03","90","","1710.5","0.5","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C60 Cl7 Sb -","- C60 Cl7 Sb -","- C120 Cl14 Sb2 -","2","1","","Brotsman, Victor A.; Tamm, Nadezhda B.; Ioffe, Ilya N.; Eliseev, Andrei A.; Goryunkov, Alexey A.; Lyssenko, Konstantin A.; Troyanov, Sergey I.","Dimeric and 1D polymeric low-chlorinated C<sub>60</sub> fullerenes, (C<sub>60</sub>Cl<sub>5</sub>)<sub>2</sub> and (C<sub>60</sub>Cl<sub>4</sub>)<sub>∞</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00887h","","","0.71073","MoKα","","0.1069","0.0769","","","0.1668","0.1856","","","","","","1.002","","","","has coordinates","282912","2023-04-28","22:53:10",""
"7712892","10.298","0.0005","14.6532","0.0007","17.2961","0.0009","90","","90","","90","","2610","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N3 O Zn -","- C27 H28 Cl2 N3 O Zn -","- C108 H112 Cl8 N12 O4 Zn4 -","4","1","","Kokina, T. E.; Shekhovtsov, Nikita; Vasilyev, Evgene S.; Glinskaya, Ludmila; Mikheilis, Alexsandr V.; Plyusnin, Victor F.; Tkachev, Alexey V.; Bushuev, Mark B.","Efficient emission of Zn(II) and Cd(II) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT00904A","","","0.71073","MoKα","","0.0697","0.0419","","","0.0857","0.0941","","","","","","0.997","","","","has coordinates","282913","2023-04-28","22:53:51",""
"7712893","6.9333","0.0003","28.6315","0.0014","12.6065","0.0007","90","","99.52","0.002","90","","2468.1","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cd Cl2 N2 O2 -","- C25 H28 Cd Cl2 N2 O2 -","- C100 H112 Cd4 Cl8 N8 O8 -","4","2","","Kokina, T. E.; Shekhovtsov, Nikita; Vasilyev, Evgene S.; Glinskaya, Ludmila; Mikheilis, Alexsandr V.; Plyusnin, Victor F.; Tkachev, Alexey V.; Bushuev, Mark B.","Efficient emission of Zn(II) and Cd(II) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT00904A","","","0.71073","MoKα","","0.0514","0.0342","","","0.0732","0.0776","","","","","","1.022","","","","has coordinates","282913","2023-04-28","22:53:52",""
"7712894","10.753","0.0002","12.5652","0.0004","14.8182","0.0005","74.414","0.003","72.884","0.002","74.855","0.002","1806.65","0.1","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","Ru_LL_1","","- C28 H32 Cl N7 O12 Ru S2 -","- C28 H32 Cl N7 O12 Ru S2 -","- C56 H64 Cl2 N14 O24 Ru2 S4 -","2","1","","Khan, Sahanwaj; Sengupta, Swaraj; Khan, Mohammad adnan; Sk, Md Palashuddin; Naskar, Subhendu","Electrocatalytic Water Oxidation by heteroleptic Ruthenium complexes of 2,6-bis(benzimidazolyl) pyridine Scaffold: A mechanistic investigation","Dalton Transactions","2023","","","","","10.1039/D3DT00128H","","x-ray","0.71073","MoKα","","0.0393","0.0366","","","0.1053","0.1089","","","","","","1.068","","","","has coordinates,has disorder","282914","2023-04-28","22:55:06",""
"7712895","11.0467","0.0003","20.022","0.0007","14.8502","0.0004","90","","92.084","0.003","90","","3282.35","0.17","298","2","298.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 F6.5 N7 O4 P Ru S2 -","- C28 H26 F6.5 N7 O4 P Ru S2 -","- C112 H104 F26 N28 O16 P4 Ru4 S8 -","4","1","","Khan, Sahanwaj; Sengupta, Swaraj; Khan, Mohammad adnan; Sk, Md Palashuddin; Naskar, Subhendu","Electrocatalytic Water Oxidation by heteroleptic Ruthenium complexes of 2,6-bis(benzimidazolyl) pyridine Scaffold: A mechanistic investigation","Dalton Transactions","2023","","","","","10.1039/D3DT00128H","","x-ray","0.71073","MoKα","","0.0453","0.0394","","","0.0979","0.1035","","","","","","1.043","","","","has coordinates,has disorder","282914","2023-04-28","22:55:07",""
"7712896","11.0563","0.0008","20.5315","0.0013","15.021","0.002","90","","91.989","0.008","90","","3407.7","0.6","298","2","298.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 F6 N7 O4 P Ru S2 -","- C32 H34 F6 N7 O4 P Ru S2 -","- C128 H136 F24 N28 O16 P4 Ru4 S8 -","4","1","","Khan, Sahanwaj; Sengupta, Swaraj; Khan, Mohammad adnan; Sk, Md Palashuddin; Naskar, Subhendu","Electrocatalytic Water Oxidation by heteroleptic Ruthenium complexes of 2,6-bis(benzimidazolyl) pyridine Scaffold: A mechanistic investigation","Dalton Transactions","2023","","","","","10.1039/D3DT00128H","","x-ray","0.71073","MoKα","","0.0458","0.0369","","","0.0891","0.095","","","","","","1.052","","","","has coordinates,has disorder","282914","2023-04-28","22:55:07",""
"7712897","10.8167","0.0009","12.0499","0.0011","13.5182","0.0011","90","","103.533","0.009","90","","1713","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Co O6 -","- C17 H19 Co O6 -","- C68 H76 Co4 O24 -","4","0.5","","Michelas, Maxime; Daran, Jean-Claude; Saquet, Alix; Fliedel, Christophe; Poli, Rinaldo","A mononuclear cobalt(III) carboxylate complex with a fully O-based coordination sphere: CoIII-O bond homolysis and controlled radical polymerisation from [Co(acac)2(O2CPh)]","Dalton Transactions","2023","","","","","10.1039/D3DT00910F","","x-ray","1.54184","CuKα","","0.2088","0.1552","","","0.4498","0.5302","","","","","","1.827","","","","has coordinates","282915","2023-04-28","22:55:59",""
"7712898","7.7672","0.0005","7.7585","0.0014","23.147","0.006","90","","90","","90","","1394.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O6 -","- C12 H11 N O6 -","- C48 H44 N4 O24 -","4","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","1.54178","CuKα","","0.039","0.0343","","","0.0955","0.1009","","","","","","1.095","","","","has coordinates","282934","2023-05-01","22:51:43",""
"7712899","8.042","","15.1061","","4.4867","","90","","90","","90","","545.059","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Lithium Silver Germanide (12/1/4)","","- Ag Ge4 Li12 -","- Ag Ge4 Li14 -","- Ag2 Ge8 Li28 -","2","0.25","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","","","","0.0293","","","","","","","","","","","","","","","has coordinates","282934","2023-05-01","22:51:47",""
"7712900","10.768","0.016","11.02","0.03","21.39","0.04","77.61","0.15","86.91","0.02","79.5","0.04","2437","9","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H60 B Fe3 N8 S6 Si W -","- C29 H60 B Fe3 N8 S6 Si W -","- C58 H120 B2 Fe6 N16 S12 Si2 W2 -","2","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.0518","0.0433","","","0.1194","0.1247","","","","","","1.039","","","","has coordinates","282934","2023-05-01","22:51:48",""
"7712901","10.49","0.04","10.76","0.05","24.74","0.08","92.02","0.15","101.28","0.09","90.5","0.2","2736","19","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H72 B Fe3 N8 S6 Si W -","- C47 H72 B Fe3 N8 S6 Si W -","- C94 H144 B2 Fe6 N16 S12 Si2 W2 -","2","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.1681","0.0892","","","0.1862","0.2253","","","","","","1.036","","","","has coordinates,has disorder","282934","2023-05-01","22:51:48",""
"7712902","10.8092","0.0019","10.8525","0.0019","46.147","0.008","90","","91.938","0.002","90","","5410.3","1.6","296.15","","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 B Fe3 N8 S6 Si W -","- C44 H66 B Fe3 N8 S6 Si W -","- C176 H264 B4 Fe12 N32 S24 Si4 W4 -","4","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.0778","0.0491","","","0.1033","0.1104","","","","","","1.02","","","","has coordinates","282934","2023-05-01","22:51:48",""
"7712903","19.825","0.015","19.385","0.014","28.47","0.02","90","","90","","90","","10941","14","296.15","","296.15","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C36 H74 B Cl3 Fe3 N10 S3 Si W -","- C36 H74 B Cl3 Fe3 N10 S3 Si W -","- C288 H592 B8 Cl24 Fe24 N80 S24 Si8 W8 -","8","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.1418","0.096","","","0.1786","0.2041","","","","","","1.224","","","","has coordinates,has disorder","282934","2023-05-01","22:51:48",""
"7712904","10.742","0.004","11.078","0.005","21.227","0.009","83.765","0.005","86.492","0.005","87.819","0.005","2505.1","1.8","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H51 B Fe3 N17 S3 Si W -","- C26 H51 B Fe3 N17 S3 Si W -","- C52 H102 B2 Fe6 N34 S6 Si2 W2 -","2","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.0852","0.0515","","","0.1182","0.1307","","","","","","0.952","","","","has coordinates,has disorder","282934","2023-05-01","22:51:49",""
"7712905","13.981","0.012","14.821","0.013","35.11","0.03","90","","93.171","0.018","90","","7264","11","296.15","","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H86 B Fe3 N9 S6 Si W -","- C52 H86 B Fe3 N9 S6 Si W -","- C208 H344 B4 Fe12 N36 S24 Si4 W4 -","4","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.0626","0.0477","","","0.1095","0.1152","","","","","","1.024","","","","has coordinates,has disorder","282934","2023-05-01","22:51:49",""
"7712906","19.87","0.14","31.7","0.09","25.83","0.09","90","","109.78","0.05","90","","15310","13","296.15","","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63 H87 B2 Fe3 N13 S3 Si W -","- C63 H87 B2 Fe3 N13 S3 Si W -","- C504 H696 B16 Fe24 N104 S24 Si8 W8 -","8","2","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.1053","0.0582","","","0.089","0.1049","","","","","","1.043","","","","has coordinates","282934","2023-05-01","22:51:49",""
"7712907","10.5404","0.0007","10.5595","0.0007","12.547","0.0009","76.984","0.002","88.549","0.002","89.718","0.002","1360.18","0.16","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H20 N2 O S -","- C12 H20 N2 O S -","- C48 H80 N8 O4 S4 -","4","2","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.0714","0.0433","","","0.0961","0.1095","","","","","","1.028","","","","has coordinates,has disorder","282935","2023-05-01","22:53:55",""
"7712908","11.989","0.003","12.149","0.003","13.386","0.003","64.437","0.009","88.604","0.008","83.874","0.013","1748.3","0.7","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H24 N2 O S -","- C18 H24 N2 O S -","- C72 H96 N8 O4 S4 -","4","2","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.0466","0.0375","","","0.0989","0.1061","","","","","","1.042","","","","has coordinates","282935","2023-05-01","22:53:55",""
"7712909","21.9417","0.0007","21.9417","0.0007","6.6868","0.0002","90","","90","","90","","3219.28","0.17","193","2","193","2","","","","","","","","6","I 41","I 4bw","80","","","","- C24 H38 Ge N4 O2 S2 -","- C24 H38 Ge N4 O2 S2 -","- C96 H152 Ge4 N16 O8 S8 -","4","0.5","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.0236","0.0198","","","0.0483","0.0503","","","","","","1.022","","","","has coordinates","282935","2023-05-01","22:53:55",""
"7712910","15.4414","0.0005","7.9913","0.0003","33.5748","0.001","90","","94.717","0.002","90","","4129","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Ge N4 O2 S2 -","- C42 H52 Ge N4 O2 S2 -","- C168 H208 Ge4 N16 O8 S8 -","4","1","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.094","0.0466","","","0.1014","0.1174","","","","","","1.018","","","","has coordinates","282935","2023-05-01","22:53:56",""
"7712911","15.5421","0.0008","8.0005","0.0004","33.9053","0.0016","90","","96.144","0.002","90","","4191.7","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N4 O2 S2 Sn -","- C42 H52 N4 O2 S2 Sn -","- C168 H208 N16 O8 S8 Sn4 -","4","1","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.0558","0.0346","","","0.0723","0.0813","","","","","","1.032","","","","has coordinates","282935","2023-05-01","22:53:56",""
"7712912","8.3489","0.0008","43.317","0.004","8.2449","0.0008","90","","107.199","0.002","90","","2848.4","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N4 O2 S2 Sn -","- C24 H38 N4 O2 S2 Sn -","- C96 H152 N16 O8 S8 Sn4 -","4","1","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.0615","0.0611","","","0.1395","0.1396","","","","","","1.487","","","","has coordinates","282935","2023-05-01","22:53:56",""
"7712913","33.071","0.002","11.0464","0.0008","20.1342","0.0012","90","","117.697","0.002","90","","6512.5","0.7","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Dy2 N9 Na O8 S8 -","- C40 H32 Dy2 N8 Na O8 S8 -","- C160 H128 Dy8 N32 Na4 O32 S32 -","4","0.5","","Han, Tian; Wang, Xiao-Qin; Guo, Tong; Cao, Hong-Sheng; Chen, Wei-Peng; He, Ling","Modulation of the magnetic dynamics in two air-stable sulfur-ligated dysprosium complexes via polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT00714F","","","0.71073","MoKα","","0.0737","0.0684","","","0.1481","0.151","","","","","","1.058","","","","has coordinates","282953","2023-05-02","22:52:00",""
"7712914","10.084","0.0008","13.8668","0.001","20.6024","0.0014","90","","97.591","0.003","90","","2855.6","0.4","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22.02 H25.52 Dy N4 Na O6.74 S4 -","- C22.027 H25.528 Dy N4 Na O6.737 S4 -","- C88.108 H102.112 Dy4 N16 Na4 O26.948 S16 -","4","1","","Han, Tian; Wang, Xiao-Qin; Guo, Tong; Cao, Hong-Sheng; Chen, Wei-Peng; He, Ling","Modulation of the magnetic dynamics in two air-stable sulfur-ligated dysprosium complexes via polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT00714F","","","0.71073","MoKα","","0.0663","0.047","","","0.0894","0.0944","","","","","","1.103","","","","has coordinates,has disorder","282953","2023-05-02","22:52:01",""
"7712915","12.7198","0.0011","13.9626","0.0011","15.8515","0.0013","90","","91.676","0.003","90","","2814","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.93 H25.87 Dy N4 Na O8 S4 -","- C20.936 H25.872 Dy N4 Na O8 S4 -","- C83.744 H103.488 Dy4 N16 Na4 O32 S16 -","4","1","","Han, Tian; Wang, Xiao-Qin; Guo, Tong; Cao, Hong-Sheng; Chen, Wei-Peng; He, Ling","Modulation of the magnetic dynamics in two air-stable sulfur-ligated dysprosium complexes via polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT00714F","","","0.71073","MoKα","","0.0299","0.0254","","","0.0586","0.0609","","","","","","1.104","","","","has coordinates,has disorder","282953","2023-05-02","22:52:01",""
"7712916","21.516","0.003","6.3257","0.0008","20.465","0.003","90","","117.404","0.002","90","","2472.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cd N4 O6.5 -","- C23 H26 Cd N4 O6.5 -","- C92 H104 Cd4 N16 O26 -","4","1","","li, Chaoxiong; Sun, Xuancheng; Meng, Xiang Gao; Wang, Dunjia; Zheng, Chunyang","A Water Stable and Highly Fluorescent Zn(II) Based Metal−Organic Frameworks for Fast Detection of Hg2+, CrVI and Antibiotics","Dalton Transactions","2023","","","","","10.1039/D3DT00756A","","","0.71073","MoKα","","0.0385","0.0272","","","0.0677","0.0748","","","","","","1.036","","","","has coordinates,has disorder","282954","2023-05-02","22:52:49",""
"7712917","19.5924","0.0003","7.6398","0.0001","14.9603","0.0002","90","","102.79","0.001","90","","2183.73","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N4 -","- C29 H22 N4 -","- C116 H88 N16 -","4","1","","li, Chaoxiong; Sun, Xuancheng; Meng, Xiang Gao; Wang, Dunjia; Zheng, Chunyang","A Water Stable and Highly Fluorescent Zn(II) Based Metal−Organic Frameworks for Fast Detection of Hg2+, CrVI and Antibiotics","Dalton Transactions","2023","","","","","10.1039/D3DT00756A","","x-ray","1.54184","CuKα","","0.0501","0.0439","","","0.1203","0.126","","","","","","1.07","","","","has coordinates","282954","2023-05-02","22:52:49",""
"7712918","14.9857","0.0006","11.4712","0.0004","15.6851","0.0005","90","","111.423","0.004","90","","2510.04","0.17","149.99","0.1","149.99","0.01","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.4 H37.6 N2 O7.4 Ti -","- C24 H32 N2 O6 Ti -","- C96 H128 N8 O24 Ti4 -","4","1","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.0613","0.0407","","","0.1082","0.1164","","","","","","1.057","","","","has coordinates","282966","2023-05-03","22:58:36",""
"7712919","9.2345","0.0002","9.4706","0.0002","24.6581","0.0005","90","","90","","90","","2156.51","0.08","199.99","0.1","199.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl2 N2 O4 Ti -","- C22 H26 Cl2 N2 O4 Ti -","- C88 H104 Cl8 N8 O16 Ti4 -","4","1","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","282966","2023-05-03","22:58:37",""
"7712920","18.7034","0.0005","13.0271","0.0003","11.6836","0.0003","90","","107.781","0.003","90","","2710.74","0.13","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 N3 O6 Ti -","- C28 H39 N3 O6 Ti -","- C112 H156 N12 O24 Ti4 -","4","1","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.0541","0.0413","","","0.1096","0.1179","","","","","","1.06","","","","has coordinates","282966","2023-05-03","22:58:37",""
"7712921","13.8328","0.0002","10.7428","0.0002","28.2055","0.0004","90","","90","","90","","4191.42","0.12","200","0.1","200","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 F2 N2 O4 Ti -","- C22 H26 F2 N2 O4 Ti -","- C176 H208 F16 N16 O32 Ti8 -","8","1","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.0421","0.0329","","","0.089","0.0938","","","","","","1.035","","","","has coordinates","282966","2023-05-03","22:58:37",""
"7712922","16.9779","0.0002","12.62848","0.00015","23.5892","0.0004","90","","97.8428","0.0013","90","","5010.34","0.12","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H30 Br2 N2 O5 Ti -","- C23 H30 Br2 N2 O5 Ti -","- C184 H240 Br16 N16 O40 Ti8 -","8","4","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.052","0.0362","","","0.0718","0.0755","","","","","","1.009","","","","has coordinates,has disorder","282966","2023-05-03","22:58:37",""
"7712923","14.6581","0.0006","15.3265","0.0007","16.0358","0.0005","62.258","0.003","79.347","0.003","62.225","0.003","2818.7","0.2","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C60 H49 B Cl4 Cu F4 N5 O P2 -","- C60 H49 B Cl4 Cu F4 N5 O P2 -","- C120 H98 B2 Cl8 Cu2 F8 N10 O2 P4 -","2","1","","Bruschi, Cecilia; Gui, Xin; Fuhr, Olaf; Klopper, Wim; Bizzarri, Claudia","Reaching strong absorption up to 700 nm with new benzo[g]quinoxaline-based heteroleptic copper(I) complexes for light-harvesting applications","Dalton Transactions","2023","","","","","10.1039/D3DT00902E","","x-ray","1.34143","GaKα","","0.0904","0.0752","","","0.2275","0.2424","","","","","","1.048","","","","has coordinates","282967","2023-05-03","23:00:07",""
"7712924","19.8643","0.001","9.4378","0.0003","11.9223","0.0006","90","","104.911","0.005","90","","2159.87","0.18","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N6 O3 Re S -","- C21 H15 N6 O3 Re S -","- C84 H60 N24 O12 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0653","0.0451","","","0.1085","0.1194","","","","","","0.983","","","","has coordinates,has disorder","282980","2023-05-04","05:23:22",""
"7712925","10.1365","0.0002","11.5551","0.0002","12.445","0.0003","77.598","0.002","77.198","0.002","88.275","0.002","1388.02","0.05","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 N6 O4 Re S2 -","- C25 H25 N6 O4 Re S2 -","- C50 H50 N12 O8 Re2 S4 -","2","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0312","0.0266","","","0.0538","0.0554","","","","","","1.008","","","","has coordinates","282980","2023-05-04","05:23:23",""
"7712926","19.7329","0.0007","18.0795","0.0007","12.6323","0.0004","90","","90","","90","","4506.7","0.3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C21 H15 N6 O4 Re S -","- C21 H15 N6 O4 Re S -","- C168 H120 N48 O32 Re8 S8 -","8","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0733","0.0389","","","0.076","0.0911","","","","","","1.039","","","","has coordinates","282980","2023-05-04","05:23:23",""
"7712927","11.671","0.0003","13.1288","0.0004","14.248","0.0004","90","","90.818","0.002","90","","2182.94","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N6 O3 Re S -","- C23 H15 N6 O3 Re S -","- C92 H60 N24 O12 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0456","0.0317","","","0.0636","0.0679","","","","","","1.039","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712928","12.9404","0.0005","9.4757","0.0003","20.6156","0.0008","90","","90","","90","","2527.87","0.16","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C23 H18 Cl N6 O4 Re S -","- C23 H18 Cl N6 O4 Re S -","- C92 H72 Cl4 N24 O16 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0419","0.0334","","","0.0722","0.0755","","","","","","1.056","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712929","12.8312","0.0004","9.5879","0.0003","20.5152","0.0005","90","","90","","90","","2523.87","0.13","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H18 N7 O6 Re S -","- C23 H18 N7 O6 Re S -","- C92 H72 N28 O24 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0443","0.0335","","","0.071","0.0756","","","","","","1.029","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712930","11.5391","0.0003","13.2808","0.0003","14.9093","0.0004","90","","90","","90","","2284.83","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N6 O4 Re S -","- C23 H15 N6 O4 Re S -","- C92 H60 N24 O16 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0352","0.0296","","","0.052","0.0538","","","","","","1","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712931","22.6481","0.0011","7.2466","0.0003","15.5837","0.0009","90","","90","","90","","2557.6","0.2","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 N7 O6 Re S -","- C25 H18 N7 O6 Re S -","- C100 H72 N28 O24 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0725","0.0448","","","0.0904","0.1005","","","","","","1.018","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712932","7.3952","0.0002","17.0085","0.0006","17.8443","0.0006","90","","101.415","0.003","90","","2200.08","0.12","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Cl N6 O3 Re S -","- C22 H12 Cl N6 O3 Re S -","- C88 H48 Cl4 N24 O12 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0499","0.0338","","","0.0672","0.0717","","","","","","1.03","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712933","6.7907","0.0001","9.3555","0.0002","19.8603","0.0003","99.11","0.001","91.241","0.001","91.84","0.001","1244.72","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H42 N14 O7 Re2 S2 -","- C51 H42 N14 O7 Re2 S2 -","- C51 H42 N14 O7 Re2 S2 -","1","0.5","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0469","0.0357","","","0.0658","0.0687","","","","","","0.982","","","","has coordinates,has disorder","282980","2023-05-04","05:23:24",""
"7712934","21.2128","0.0012","9.4134","0.0004","11.9069","0.0006","90","","104.007","0.006","90","","2306.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N7 O3 Re S -","- C22 H18 N7 O3 Re S -","- C88 H72 N28 O12 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0647","0.0412","","","0.0859","0.0946","","","","","","1.051","","","","has coordinates,has disorder","282980","2023-05-04","05:23:24",""
"7712935","14.3598","0.001","11.2264","0.0006","15.8108","0.0009","90","","111.263","0.007","90","","2375.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N6 O3 Re S -","- C25 H19 N6 O3 Re S -","- C100 H76 N24 O12 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0605","0.0381","","","0.0758","0.083","","","","","","1.001","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712936","18.44","0.003","10.1792","0.0016","5.9928","0.0009","90","","103.022","0.005","90","","1095.9","0.3","250","2","250","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C18 H26 Fe O2 S2 -","- C18 H26 Fe O2 S2 -","- C36 H52 Fe2 O4 S4 -","2","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0331","0.033","","","0.099","0.0991","","","","","","1.038","","","","has coordinates","282981","2023-05-04","05:27:35",""
"7712937","9.7712","0.0005","9.7712","","22.4446","0.0013","90","","90","","90","","2142.93","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 41 21 2","P 4abw 2nw","92","","","","- C20 H30 Fe O4 S2 -","- C20 H30 Fe O4 S2 -","- C80 H120 Fe4 O16 S8 -","4","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0445","0.0356","","","0.0721","0.0764","","","","","","1.017","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712938","18.4422","0.0019","10.123","0.001","6.0952","0.0007","90","","101.428","0.004","90","","1115.4","0.2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C18 H24 F2 Fe O2 S2 -","- C18 H24 F2 Fe O2 S2 -","- C36 H48 F4 Fe2 O4 S4 -","2","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0284","0.0278","","","0.0781","0.0787","","","","","","1.028","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712939","12.9086","0.0013","12.9086","","17.95","0.002","90","","90","","90","","2991","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 43","P 4cw","78","","","","- C24 H40 F2 Fe O2 S2 Si2 -","- C24 H40 F2 Fe O2 S2 Si2 -","- C96 H160 F8 Fe4 O8 S8 Si8 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0315","0.0278","","","0.0612","0.0631","","","","","","1.038","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712940","10.7592","0.0016","20.291","0.003","10.9077","0.0015","90","","111.313","0.004","90","","2218.5","0.6","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C35 H59 Cl3 Fe O6 S2 Si2 -","- C35 H59 Cl3 Fe O6 S2 Si2 -","- C70 H118 Cl6 Fe2 O12 S4 Si4 -","2","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0754","0.0554","","","0.1222","0.1344","","","","","","1.067","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712941","9.1285","0.0003","9.1285","","27.3023","0.0011","90","","90","","90","","2275.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C27 H28 Fe O2 S -","- C27 H28 Fe O2 S -","- C108 H112 Fe4 O8 S4 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.037","0.0334","","","0.066","0.0674","","","","","","0.996","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712942","12.543","0.0003","12.7335","0.0003","18.3899","0.0005","90","","90","","90","","2937.17","0.13","200","2","200","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Fe O2 S2 Si2 -","- C24 H42 Fe O2 S2 Si2 -","- C96 H168 Fe4 O8 S8 Si8 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.042","0.0368","","","0.0898","0.0927","","","","","","1.101","","","","has coordinates,has disorder","282981","2023-05-04","05:27:36",""
"7712943","11.8827","0.0007","11.1068","0.0005","13.1403","0.0007","90","","94.755","0.002","90","","1728.27","0.16","296","2","296","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C24 H41 Fe I O2 S2 Si2 -","- C24 H41 Fe I O2 S2 Si2 -","- C48 H82 Fe2 I2 O4 S4 Si4 -","2","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0662","0.0398","","","0.0949","0.1079","","","","","","0.969","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712944","12.3695","0.0002","21.4394","0.0003","8.5405","0.0001","90","","99.442","0.001","90","","2234.21","0.05","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N2 O6 Si -","- C24 H30 N2 O6 Si -","- C96 H120 N8 O24 Si4 -","4","0.5","","Volkov, Victor V.; Blundell, Toby J.; Argent, Stephen; Perry, Carole Celia","Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines","Dalton Transactions","2023","","","","","10.1039/D3DT00856H","","x-ray","0.6889","Synchrotron","","0.0834","0.0792","","","0.2435","0.2467","","","","","","1.154","","","","has coordinates,has disorder","283001","2023-05-04","22:56:02",""
"7712945","8.4217","0.0004","8.6528","0.0004","37.3757","0.0017","90","","93.077","0.002","90","","2719.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B2 F8 Fe N10 -","- C24 H22 B2 F8 Fe N10 -","- C96 H88 B8 F32 Fe4 N40 -","4","1","","Marchi, Lorenzo; Fantuzzi, Simone; Cingolani, Andrea; Messori, Alessandro; Mazzoni, Rita; Zacchini, Stefano; Cocchi, Marina; Rigamonti, Luca","Proficient multivariate approach for iron(II) spin crossover behaviour modelling in the solid state","Dalton Transactions","2023","","","","","10.1039/D3DT00847A","","","0.71073","MoKα","","0.0575","0.0467","","","0.0933","0.096","","","","","","1.165","","","","has coordinates","283002","2023-05-04","22:56:29",""
"7712946","8.5193","0.0009","8.6032","0.0009","39.031","0.004","90","","91.125","0.004","90","","2860.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B2 F8 Fe N10 -","- C24 H22 B2 F8 Fe N10 -","- C96 H88 B8 F32 Fe4 N40 -","4","1","","Marchi, Lorenzo; Fantuzzi, Simone; Cingolani, Andrea; Messori, Alessandro; Mazzoni, Rita; Zacchini, Stefano; Cocchi, Marina; Rigamonti, Luca","Proficient multivariate approach for iron(II) spin crossover behaviour modelling in the solid state","Dalton Transactions","2023","","","","","10.1039/D3DT00847A","","","0.71073","MoKα","","0.1031","0.0762","","","0.1933","0.2062","","","","","","1.073","","","","has coordinates","283002","2023-05-04","22:56:29",""
"7712947","31.786","0.003","13.9537","0.0015","24.406","0.002","90","","90","","90","","10824.8","1.8","150","2","150.03","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C132 H216 N40 O56 Zr6 -","- C60 H48 N16 O32 Zr6 -","- C120 H96 N32 O64 Zr12 -","2","0.25","","Zhu, Yi-Jie; Wang, Jun-Jie; Li, Jun-Yu; Zhang, Teng","A Metal–Organic Framework-Supported Dinuclear Iron Catalyst for Hydroboration of Carbonyl Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT01109G","","","0.71073","MoKα","","0.1009","0.0688","","","0.1902","0.2117","","","","","","0.99","","","","has coordinates","283003","2023-05-04","22:56:57",""
"7712948","10.9919","0.0011","20.479","0.002","27.193","0.003","90","","91.529","0.003","90","","6119","1.1","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H55.5 Cl0.25 Cu6.5 N7 Na0.25 O46.25 P W9 -","- C16.5 H41 Cl0.25 Cu6.5 N7 Na0.25 O46.25 P W9 -","- C66 H164 Cl Cu26 N28 Na O185 P4 W36 -","4","1","","Su, Zhao-Min; Wang, Yongchun; Xu, Zhikun; Shang, Wenhui; Jia, Zhiyu; Yang, Guo-Yu","A {Cu6}-Added Polyoxometalate Cluster-organic Framework: Synthesis, Structure and Application as a Solid Support for Enzyme Immobilization","Dalton Transactions","2023","","","","","10.1039/D3DT00822C","","","0.71073","MoKα","","0.0442","0.0322","","","0.0617","0.0651","","","","","","1.067","","","","has coordinates,has disorder","283004","2023-05-04","22:57:31",""
"7712949","9.755","","9.755","","9.755","","90","","90","","90","","928.286","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dithallium Hexachloroplatinate","","- Cl6 Pt Tl2 -","- Cl6 Pt Tl2 -","- Cl24 Pt4 Tl8 -","4","0.0208333","","Huang, Hong; Sun, Rong; Wu, Xiao-Fan; Liu, Youchao; Zhan, Jun-Zheng; Wang, Bingwu; Gao, Song","Circularly Polarized Luminescence and Magneto-Optic Effect from Chiral Dy(III)-Single Molecule Magnet","Dalton Transactions","2023","","","","","10.1039/D3DT00625E","","","","","","","","","","","","","","","","","","","","","has coordinates","283005","2023-05-04","22:58:15",""
"7712950","9.0327","0.0005","17.1436","0.0007","22.4164","0.0017","90","","97.007","0.005","90","","3445.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Dy N5 O14 Zn -","- C30 H28 Dy N5 O14 Zn -","- C120 H112 Dy4 N20 O56 Zn4 -","4","2","","Huang, Hong; Sun, Rong; Wu, Xiao-Fan; Liu, Youchao; Zhan, Jun-Zheng; Wang, Bingwu; Gao, Song","Circularly Polarized Luminescence and Magneto-Optic Effect from Chiral Dy(III)-Single Molecule Magnet","Dalton Transactions","2023","","","","","10.1039/D3DT00625E","","x-ray","0.71073","MoKα","","0.0627","0.0492","","","0.0984","0.106","","","","","","1.043","","","","has coordinates","283005","2023-05-04","22:58:16",""
"7712951","8.0773","0.0003","26.4017","0.0012","19.7244","0.0009","90","","100.742","0.003","90","","4132.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F12 N2 O4 -","- C24 H20 Co F12 N2 O4 -","- C144 H120 Co6 F72 N12 O24 -","6","1.5","","Mičová, Romana; Rajnák, Cyril; Titis, Jan; Bieńko, Alina; Moncol, Jan; Samolova, Erika; Boca, Roman","Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism","Dalton Transactions","2023","","","","","10.1039/D3DT00990D","","","1.54186","CuKα","","0.0957","0.0457","","","0.0783","0.0943","","","","","","1.0361","","","","has coordinates","283538","2023-05-05","22:54:07",""
"7712952","7.9911","0.0018","9.202","0.002","20.709","0.005","90","","100.335","0.004","90","","1498.1","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F12 N2 O4 -","- C24 H20 Co F12 N2 O4 -","- C48 H40 Co2 F24 N4 O8 -","2","0.5","","Mičová, Romana; Rajnák, Cyril; Titis, Jan; Bieńko, Alina; Moncol, Jan; Samolova, Erika; Boca, Roman","Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism","Dalton Transactions","2023","","","","","10.1039/D3DT00990D","","","0.71073","MoKα","","0.0652","0.0501","","","0.1459","0.1621","","","","","","1.0645","","","","has coordinates,has disorder","283538","2023-05-05","22:54:08",""
"7712953","9.1173","0.0009","14.4277","0.0013","14.3485","0.0014","90","","107.966","0.003","90","","1795.4","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl2 Co F12 N2 O4 -","- C34 H22 Cl2 Co F12 N2 O4 -","- C68 H44 Cl4 Co2 F24 N4 O8 -","2","0.5","","Mičová, Romana; Rajnák, Cyril; Titis, Jan; Bieńko, Alina; Moncol, Jan; Samolova, Erika; Boca, Roman","Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism","Dalton Transactions","2023","","","","","10.1039/D3DT00990D","","","0.71073","MoKα","","0.0408","0.0302","","","0.0566","0.0611","","","","","","1.0508","","","","has coordinates,has disorder","283538","2023-05-05","22:54:08",""
"7712954","8.7209","0.0002","11.5302","0.0002","15.5452","0.0003","90","","97.78","0.002","90","","1548.74","0.05","113","2","113","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C35 H39 Cu N P S -","- C35 H39 Cu N P S -","- C70 H78 Cu2 N2 P2 S2 -","2","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","x-ray","0.71073","MoKα","","0.0463","0.0449","","","0.1136","0.1147","","","","","","1.085","","","","has coordinates","283539","2023-05-05","22:56:44",""
"7712955","11.8498","0.0004","8.9288","0.0004","15.6583","0.0006","90","","99.025","0.003","90","","1636.21","0.11","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N S -","- C17 H25 N S -","- C68 H100 N4 S4 -","4","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.0446","0.0367","","","0.0914","0.0952","","","","","","1.065","","","","has coordinates","283539","2023-05-05","22:56:45",""
"7712956","10.0287","0.0002","9.26","0.0002","28.742","0.0006","90","","96.315","0.002","90","","2652.95","0.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu N2 P S -","- C30 H30 Cu N2 P S -","- C120 H120 Cu4 N8 P4 S4 -","4","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.047","0.0351","","","0.0786","0.0822","","","","","","1.044","","","","has coordinates","283539","2023-05-05","22:56:45",""
"7712957","34.0853","0.0006","10.857","0.0002","15.8802","0.0004","90","","102.842","0.002","90","","5729.7","0.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 Cu N P S -","- C32 H33 Cu N P S -","- C256 H264 Cu8 N8 P8 S8 -","8","2","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","x-ray","0.71073","MoKα","","0.1121","0.0873","","","0.1782","0.1873","","","","","","1.157","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712958","8.1962","0.0003","8.8474","0.0002","18.7562","0.0005","90","","100.089","0.003","90","","1339.08","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N S -","- C14 H19 N S -","- C56 H76 N4 S4 -","4","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.0387","0.0328","","","0.0834","0.086","","","","","","1.072","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712959","8.4434","0.0003","13.9072","0.0004","19.3518","0.0006","99.445","0.002","100.502","0.003","105.746","0.003","2094.98","0.13","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu N3 S -","- C22 H26 Cu N3 S -","- C88 H104 Cu4 N12 S4 -","4","2","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.046","0.0378","","","0.1022","0.1063","","","","","","1.104","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712960","7.598","0.0003","7.7676","0.0003","10.3763","0.0004","102.817","0.003","98.971","0.003","107.163","0.004","554.2","0.04","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cu N2 S -","- C11 H13 Cu N2 S -","- C22 H26 Cu2 N4 S2 -","2","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","x-ray","0.71073","MoKα","","0.0417","0.0355","","","0.0841","0.0863","","","","","","1.144","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712961","10.1955","0.0003","11.3984","0.0003","13.1968","0.0003","103.579","0.002","103.829","0.002","111.271","0.002","1297.18","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cu N2 S -","- C27 H35 Cu N2 S -","- C54 H70 Cu2 N4 S2 -","2","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","x-ray","0.71073","MoKα","","0.0385","0.0331","","","0.0838","0.0858","","","","","","1.089","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712962","6.841","0.0002","9.3645","0.0003","18.5881","0.0004","93.715","0.002","99.741","0.002","107.792","0.003","1108.86","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 S -","- C11 H14 N2 S -","- C44 H56 N8 S4 -","4","2","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.0454","0.0355","","","0.0812","0.085","","","","","","1.071","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712963","8.3921","0.0002","72.7477","0.0011","11.9258","0.0003","90","","109.714","0.003","90","","6854","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cu N2 S -","- C24 H29 Cu N2 S -","- C288 H348 Cu12 N24 S12 -","12","3","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.0941","0.0712","","","0.133","0.1388","","","","","","1.238","","","","has coordinates","283539","2023-05-05","22:56:46",""
"7712964","15.3411","0.0003","16.6809","0.0003","19.9753","0.0004","90","","90","","90","","5111.75","0.17","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H72 Cu3 N3 S3 -","- C51 H72 Cu3 N3 S3 -","- C204 H288 Cu12 N12 S12 -","4","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.0645","0.0576","","","0.1107","0.1133","","","","","","1.038","","","","has coordinates,has disorder","283539","2023-05-05","22:56:47",""
"7712965","7.0013","0.0005","7.2355","0.0005","12.2312","0.0009","105.091","0.006","93.555","0.006","92.253","0.006","596.1","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 S -","- C12 H16 N2 S -","- C24 H32 N4 S2 -","2","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","x-ray","0.71073","MoKα","","0.0547","0.0444","","","0.1185","0.1232","","","","","","1.073","","","","has coordinates","283539","2023-05-05","22:56:47",""
"7712966","16.3757","0.0013","12.7379","0.0009","7.2766","0.0006","90","","100.931","0.004","90","","1490.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Eu O6 -","- C16 H13 Eu O6 -","- C64 H52 Eu4 O24 -","4","1","","Bartolomé, Elena; Arauzo, Ana; Fuertes, Sara; Navarro-Spreafica, Laura; Sevilla, Pablo; Fernández-Cortés, Helena; Settineri, Nicholas S.; Teat, Simon; Sañudo, E. Carolina","Luminescent and magnetic [TbEu] 2D Metal-Organic Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT00367A","","","0.7288","synchrotron","","0.0613","0.0436","","","0.1056","0.1135","","","","","","1.087","","","","has coordinates","283540","2023-05-05","22:58:16",""
"7712967","16.3636","0.0013","12.6892","0.001","7.2847","0.0006","90","","101.03","0.003","90","","1484.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Eu0.6 O6 Tb0.4 -","- C16 H13 Eu0.6 O6 Tb0.4 -","- C64 H52 Eu2.4 O24 Tb1.6 -","4","1","","Bartolomé, Elena; Arauzo, Ana; Fuertes, Sara; Navarro-Spreafica, Laura; Sevilla, Pablo; Fernández-Cortés, Helena; Settineri, Nicholas S.; Teat, Simon; Sañudo, E. Carolina","Luminescent and magnetic [TbEu] 2D Metal-Organic Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT00367A","","","0.7288","synchrotron","","0.0519","0.04","","","0.11","0.1241","","","","","","1.074","","","","has coordinates","283540","2023-05-05","22:58:16",""
"7712968","9.1247","0.0002","11.5918","0.0003","13.4085","0.0004","111.653","0.003","93.085","0.002","108.122","0.002","1229.75","0.07","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H38 B2 Br2 Cl2 F4 N6 O2 -","- C55 H38 B2 Br2 Cl2 F4 N6 O2 -","- C55 H38 B2 Br2 Cl2 F4 N6 O2 -","1","0.5","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.099","0.0823","","","0.2163","0.227","","","","","","1.064","","","","has coordinates,has disorder","283602","2023-05-08","22:49:13",""
"7712969","5.9686","0.0004","25.0587","0.0015","14.3483","0.0011","90","","94.521","0.007","90","","2139.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N3 O -","- C27 H20 Br N3 O -","- C108 H80 Br4 N12 O4 -","4","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0749","0.0437","","","0.0935","0.1029","","","","","","1.045","","","","has coordinates","283602","2023-05-08","22:49:14",""
"7712970","23.5034","0.001","9.7906","0.0005","19.648","0.0011","90","","90","","90","","4521.2","0.4","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C25 H16 B Br F2 N2 O2 -","- C25 H16 B Br F2 N2 O2 -","- C200 H128 B8 Br8 F16 N16 O16 -","8","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0855","0.0747","","","0.1882","0.1971","","","","","","1.038","","","","has coordinates","283602","2023-05-08","22:49:14",""
"7712971","19.9282","0.0006","13.776","0.0005","10.6142","0.0004","90","","96.567","0.003","90","","2894.81","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N4 O3 -","- C38 H26 N4 O3 -","- C152 H104 N16 O12 -","4","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0659","0.043","","","0.1199","0.1311","","","","","","1.093","","","","has coordinates","283602","2023-05-08","22:49:14",""
"7712972","20.935","0.0017","13.2912","0.0008","17.0064","0.001","90","","113.317","0.008","90","","4345.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br N3 O -","- C26 H20 Br N3 O -","- C208 H160 Br8 N24 O8 -","8","2","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.1324","0.052","","","0.1094","0.1327","","","","","","0.99","","","","has coordinates,has disorder","283602","2023-05-08","22:49:15",""
"7712973","7.3752","0.0004","22.593","0.0014","12.2479","0.0007","90","","99.23","0.005","90","","2014.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br N2 O2 -","- C25 H17 Br N2 O2 -","- C100 H68 Br4 N8 O8 -","4","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0535","0.0371","","","0.0755","0.0796","","","","","","1.035","","","","has coordinates","283602","2023-05-08","22:49:15",""
"7712974","10.8967","0.0002","12.4713","0.0002","12.8652","0.0003","94.276","0.002","102.9","0.002","93.46","0.002","1694.12","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl2 N5 O2 -","- C41 H31 Cl2 N5 O2 -","- C82 H62 Cl4 N10 O4 -","2","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0717","0.0589","","","0.1594","0.1678","","","","","","1.042","","","","has coordinates","283602","2023-05-08","22:49:15",""
"7712975","18.8372","0.0008","9.9615","0.0004","17.4465","0.0008","90","","109.989","0.005","90","","3076.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N5 O2 -","- C39 H29 N5 O2 -","- C156 H116 N20 O8 -","4","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0734","0.0575","","","0.1389","0.1466","","","","","","1.057","","","","has coordinates,has disorder","283602","2023-05-08","22:49:15",""
"7712976","23.0413","0.0008","16.8362","0.0007","10.3975","0.0004","90","","97.843","0.004","90","","3995.8","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 B2 Cl6 F4 N4 O3 -","- C40 H24 B2 Cl6 F4 N4 O3 -","- C160 H96 B8 Cl24 F16 N16 O12 -","4","0.5","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.0871","0.0753","","","0.2226","0.2326","","","","","","1.026","","","","has coordinates,has disorder","283602","2023-05-08","22:49:15",""
"7712977","11.7915","0.0005","13.989","0.0004","15.4697","0.0004","74.904","0.002","81.699","0.003","72.92","0.003","2348.65","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H30 B2 Cl9 F4 N5 O2 -","- C43 H30 B2 Cl9 F4 N5 O2 -","- C86 H60 B4 Cl18 F8 N10 O4 -","2","1","","Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing","Dalton Transactions","2023","","","","","10.1039/D3DT01199B","","","0.71073","MoKα","","0.102","0.0773","","","0.2368","0.2597","","","","","","1.085","","","","has coordinates,has disorder","283602","2023-05-08","22:49:15",""
"7712978","11.2782","0.0003","6.343","0.0002","13.7366","0.0004","90","","104.613","0.001","90","","950.9","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 N7 O6 -","- C5 H3 N7 O6 -","- C20 H12 N28 O24 -","4","1","","Epishina, Margarita; Kulikov, Alexander; Ananyev, Ivan V.; Anisimov, Aleksei A.; Monogarov, Konstantin Alexandrovich; Fershtat, Leonid","Impact of regiochemistry in energetic materials science: a case of (nitratomethyl-1,2,3-triazolyl)furazans","Dalton Transactions","2023","","","","","10.1039/D3DT00917C","","","0.71073","MoKα","","0.0327","0.0306","","","0.0823","0.084","","","","","","1.038","","","","has coordinates","283603","2023-05-08","22:50:29",""
"7712979","18.5628","0.0003","7.9278","0.0001","13.6589","0.0002","90","","111.221","0.001","90","","1873.77","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N6 O5 -","- C6 H6 N6 O5 -","- C48 H48 N48 O40 -","8","1","","Epishina, Margarita; Kulikov, Alexander; Ananyev, Ivan V.; Anisimov, Aleksei A.; Monogarov, Konstantin Alexandrovich; Fershtat, Leonid","Impact of regiochemistry in energetic materials science: a case of (nitratomethyl-1,2,3-triazolyl)furazans","Dalton Transactions","2023","","","","","10.1039/D3DT00917C","","","0.71073","MoKα","","0.0308","0.0299","","","0.077","0.0777","","","","","","1.04","","","","has coordinates","283603","2023-05-08","22:50:29",""
"7712980","14.7033","0.0007","9.1448","0.0004","15.3254","0.0008","90","","119.853","0.002","90","","1787.2","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Co N6 O6 -","- C16 H12 Co N6 O6 -","- C64 H48 Co4 N24 O24 -","4","0.5","","Cui, Hui-Hui; Xu, Hong-Juan; Zhang, Tengkun; Luo, Shuchang; Tong, Wei; Wang, Miao; Wang, Jin; Chen, Lei; Tang, Yanfeng","Magnetic properties in two coordination isomeric cobalt(II) single-ion magnets","Dalton Transactions","2023","","","","","10.1039/D3DT01105D","","","0.71073","MoKα","","0.0615","0.048","","","0.1348","0.1632","","","","","","1.19","","","","has coordinates","283604","2023-05-08","22:50:58",""
"7712981","14.509","0.003","9.1423","0.0018","14.924","0.003","90","","119.08","","90","","1730.1","0.6","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Co N6 O6 -","- C16 H12 Co N6 O6 -","- C64 H48 Co4 N24 O24 -","4","1","","Cui, Hui-Hui; Xu, Hong-Juan; Zhang, Tengkun; Luo, Shuchang; Tong, Wei; Wang, Miao; Wang, Jin; Chen, Lei; Tang, Yanfeng","Magnetic properties in two coordination isomeric cobalt(II) single-ion magnets","Dalton Transactions","2023","","","","","10.1039/D3DT01105D","","","0.71073","MoKα","","0.0307","0.0249","","","0.065","0.0679","","","","","","1.049","","","","has coordinates","283604","2023-05-08","22:50:59",""
"7712982","11.4482","0.0004","11.8734","0.0005","12.9557","0.0005","81.174","0.004","65.549","0.004","88.541","0.003","1582.72","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 N2 O2 Pd -","- C40 H32 N2 O2 Pd -","- C80 H64 N4 O4 Pd2 -","2","1","","Pushpanandan, Poornenth; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Pd(II), Ni(II), and Cu(II) complexes of α,α'-ditolylmethanone dipyrroethene.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00476g","","","0.71073","MoKα","","0.0553","0.0438","","","0.1178","0.1321","","","","","","1.111","","","","has coordinates","283632","2023-05-09","22:48:20",""
"7712983","9.83","0.0005","11.2853","0.0006","14.8021","0.0006","96.813","0.004","106.561","0.004","96.781","0.004","1542.8","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 N2 Ni O2 -","- C40 H32 N2 Ni O2 -","- C80 H64 N4 Ni2 O4 -","2","1","","Pushpanandan, Poornenth; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Pd(II), Ni(II), and Cu(II) complexes of α,α'-ditolylmethanone dipyrroethene.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00476g","","x-ray","0.71073","MoKα","","0.0794","0.0583","","","0.1468","0.1659","","","","","","1.029","","","","has coordinates","283632","2023-05-09","22:48:21",""
"7712984","9.694","0.005","11.558","0.006","14.779","0.008","98.82","0.02","103.76","0.018","97.86","0.018","1563.2","1.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cu N2 O2 -","- C40 H32 Cu N2 O2 -","- C80 H64 Cu2 N4 O4 -","2","1","","Pushpanandan, Poornenth; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Pd(II), Ni(II), and Cu(II) complexes of α,α'-ditolylmethanone dipyrroethene.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00476g","","","0.71073","MoKα","","0.1413","0.0637","","","0.1351","0.185","","","","","","1.064","","","","has coordinates","283632","2023-05-09","22:48:21",""
"7712985","25.418","0.013","32.433","0.016","6.875","0.004","90","","90","","90","","5668","5","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C20 H16 Co2 N8 O4 -","- C20 H16 Co2 N8 O4 -","- C160 H128 Co16 N64 O32 -","8","1","","Lin, Yilong; Zeng , Panyu; Wang , Die; Li, Tian-Tian; Wu, Liang-Hua; Zheng, Sheng-Run","A mixed-ligand Co(II) MOF synthesized from a single organic ligand to capture iodine and methyl iodide vapour","Dalton Transactions","2023","","","","","10.1039/D3DT01104F","","","0.71073","MoKα","","0.0837","0.0504","","","0.1054","0.1178","","","","","","0.938","","","","has coordinates","283633","2023-05-09","22:48:57",""
"7712986","18.2713","0.0005","13.601","0.0003","7.2095","0.0002","90","","109.964","0.0008","90","","1683.95","0.08","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","0.71073","MoKα","","0.0401","0.0374","","","0.1082","0.1109","","","","","","1.073","","","","has coordinates","283634","2023-05-09","22:51:18",""
"7712987","6.8847","0.0005","15.7843","0.0008","38.549","0.002","90","","90","","90","","4189.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 Cl2 N4 Zn -","- C24 H14 Cl2 N4 Zn -","- C192 H112 Cl16 N32 Zn8 -","8","1","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","1.54184","CuKα","","0.1385","0.0928","","","0.1489","0.162","","","","","","1.244","","","","has coordinates","283634","2023-05-09","22:51:19",""
"7712988","14.3064","0.0002","20.2846","0.0004","18.6452","0.0003","90","","95.676","0.0013","90","","5384.3","0.16","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 Na O2 -","- C32 H30 N4 Na O2 -","- C256 H240 N32 Na8 O16 -","8","2","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","1.54184","CuKα","","0.0633","0.0548","","","0.153","0.1603","","","","","","1.029","","","","has coordinates,has disorder","283634","2023-05-09","22:51:19",""
"7712989","11.599","0.0002","23.0619","0.0004","15.4307","0.0003","90","","108.683","0.002","90","","3910.13","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Co N8 O -","- C52 H36 Co N8 O -","- C208 H144 Co4 N32 O4 -","4","1","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","1.54184","CuKα","","0.0429","0.0386","","","0.1043","0.107","","","","","","1.072","","","","has coordinates,has disorder","283634","2023-05-09","22:51:19",""
"7712990","10.3708","0.0004","15.4254","0.0006","21.0842","0.0008","77.3928","0.001","77.0413","0.001","88.9629","0.001","3206.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Co N4 O4 -","- C34 H28 Co N4 O4 -","- C136 H112 Co4 N16 O16 -","4","2","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","0.71073","MoKα","","0.065","0.0528","","","0.1272","0.1345","","","","","","1.018","","","","has coordinates","283634","2023-05-09","22:51:19",""
"7712991","9.183","0.0003","12.4243","0.0004","14.7547","0.0005","67.3691","0.0008","79.1286","0.0008","73.1164","0.0008","1481.17","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Br2 Co N5 O -","- C33 H27 Br2 Co N5 O -","- C66 H54 Br4 Co2 N10 O2 -","2","1","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","0.71073","MoKα","","0.0397","0.0276","","","0.0603","0.0647","","","","","","1.024","","","","has coordinates","283634","2023-05-09","22:51:19",""
"7712992","23.6562","0.0014","6.789","0.0004","15.9607","0.0009","90","","102.52","0.0018","90","","2502.4","0.3","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Br2 Co N5 O -","- C27 H21 Br2 Co N5 O -","- C108 H84 Br8 Co4 N20 O4 -","4","1","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","0.71073","MoKα","","0.0828","0.0703","","","0.2067","0.2153","","","","","","1.094","","","","has coordinates","283634","2023-05-09","22:51:19",""
"7712993","28.7657","0.0007","13.6667","0.0004","25.2714","0.0006","90","","112.808","0.0004","90","","9158.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H33 Br2 Cl2 Co N9 -","- C51 H33 Br2 Cl2 Co N9 -","- C408 H264 Br16 Cl16 Co8 N72 -","8","1","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","0.71073","MoKα","","0.0398","0.0323","","","0.0874","0.0912","","","","","","1.025","","","","has coordinates,has disorder","283634","2023-05-09","22:51:20",""
"7712994","8.4716","0.0006","5.5703","0.0003","8.4791","0.0009","90","","112.383","0.01","90","","369.98","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C H6 Br3 Cu2 N -","- C H6 Br3 Cu2 N -","- C2 H12 Br6 Cu4 N2 -","2","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0731","0.069","","","0.1558","0.159","","","","","","1.046","","","","has coordinates","283661","2023-05-10","22:44:58",""
"7712995","12.0193","0.0003","9.1772","0.0003","5.8643","0.0002","90","","114.162","0.001","90","","590.18","0.03","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C H5 Br2 Cu N2 -","- C H5 Br2 Cu N2 -","- C4 H20 Br8 Cu4 N8 -","4","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0233","0.0222","","","0.0547","0.0551","","","","","","1.019","","","","has coordinates","283661","2023-05-10","22:44:59",""
"7712996","13.6073","0.0008","5.426","0.0003","8.3933","0.0005","90","","114.539","0.0015","90","","563.73","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C H6 Br2 Cu N -","- C H6 Br2 Cu N -","- C4 H24 Br8 Cu4 N4 -","4","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0177","0.0169","","","0.0409","0.0413","","","","","","1.033","","","","has coordinates,has disorder","283661","2023-05-10","22:44:59",""
"7712997","15.79","0.0009","15.8919","0.0008","6.266","0.0003","90","","90","","90","","1572.35","0.14","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H15 Br4 Cu3 N2 O2 -","- C6 H15 Br4 Cu3 N2 O2 -","- C24 H60 Br16 Cu12 N8 O8 -","4","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0788","0.0332","","","0.0624","0.0768","","","","","","1.001","","","","has coordinates","283661","2023-05-10","22:44:59",""
"7712998","11.6122","0.0005","11.5268","0.0004","12.5098","0.0006","90","","110.171","0.005","90","","1571.76","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H5 Br3 Cu2 N2 -","- C H5 Br3 Cu2 N2 -","- C8 H40 Br24 Cu16 N16 -","8","1","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0642","0.0573","","","0.146","0.1514","","","","","","1.064","","","","has coordinates,has disorder","283661","2023-05-10","22:45:00",""
"7712999","13.4047","0.0006","13.4047","0.0006","8.4141","0.0006","90","","90","","90","","1511.9","0.14","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C3 H15 Br4 Cu N6 -","- C3 H15 Br4 Cu N6 -","- C12 H60 Br16 Cu4 N24 -","4","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.1521","0.097","","","0.1862","0.2154","","","","","","1.005","","","","has coordinates,has disorder","283661","2023-05-10","22:45:00",""
"7713000","12.352","0.006","13.519","0.006","15.032","0.007","67.339","0.013","83.2","0.015","82.15","0.014","2288.7","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H76 Cl2 Mg O4 -","- C51 H76 Cl2 Mg O4 -","- C102 H152 Cl4 Mg2 O8 -","2","1","","Wannipurage, Duleeka; D'Aniello, Sara; Pappalardo, Daniela; Kulathungage, Lakshani Wathsala; Ward, Cassandra L.; Anderson, Danni P.; Groysman, Stanislav; Mazzeo, Mina","Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and for copolymerization of maleic anhydride and propylene oxide","Dalton Transactions","2023","","","","","10.1039/D3DT00785E","","","0.71073","MoKα","","0.1295","0.083","","","0.2068","0.24","","","","","","1.045","","","","has coordinates,has disorder","283663","2023-05-10","22:46:11",""
"7713001","9.3463","0.0005","13.8584","0.0007","12.5331","0.0006","90","","90","","90","","1623.35","0.14","100.1","","100.1","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H30 O -","- C21 H30 O -","- C84 H120 O4 -","4","1","","Wannipurage, Duleeka; D'Aniello, Sara; Pappalardo, Daniela; Kulathungage, Lakshani Wathsala; Ward, Cassandra L.; Anderson, Danni P.; Groysman, Stanislav; Mazzeo, Mina","Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and for copolymerization of maleic anhydride and propylene oxide","Dalton Transactions","2023","","","","","10.1039/D3DT00785E","","","0.71073","MoKα","","0.0728","0.0604","","","0.0933","0.0976","","","","","","1.059","","","","has coordinates","283663","2023-05-10","22:46:12",""
"7713002","12.5905","0.001","10.461","0.0009","20.3664","0.0017","90","","90.778","0.002","90","","2682.2","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C57.32 H91.3 Mg2 O5.33 -","- C52 H80 Mg2 O4 -","- C104 H160 Mg4 O8 -","2","1","","Wannipurage, Duleeka; D'Aniello, Sara; Pappalardo, Daniela; Kulathungage, Lakshani Wathsala; Ward, Cassandra L.; Anderson, Danni P.; Groysman, Stanislav; Mazzeo, Mina","Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and for copolymerization of maleic anhydride and propylene oxide","Dalton Transactions","2023","","","","","10.1039/D3DT00785E","","","0.71073","MoKα","","0.2148","0.0959","","","0.243","0.3109","","","","","","0.982","","","","has coordinates,has disorder","283663","2023-05-10","22:46:12",""
"7713003","8.4105","0.0004","10.8472","0.0005","17.0954","0.0007","92.654","0.003","103.093","0.004","111.264","0.004","1401.41","0.12","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 F3 Ir O4 P2 -","- C24 H38 F3 Ir O4 P2 -","- C48 H76 F6 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Tasic, Magdalena","Oxidation-induced C-H bond activation in iridium pincer complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00903C","","x-ray","0.7107","MoKα","","0.0448","0.0332","","","0.0674","0.0727","","","","1.34","1.34","1.32","","","","has coordinates","283664","2023-05-10","22:46:46",""
"7713004","7.23112","0.00015","11.8487","0.0003","18.5359","0.0004","90","","90","","90","","1588.14","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Au(IBiox-iPr)Cl","","- C13 H20 Au Cl N2 O2 -","- C13 H20 Au Cl N2 O2 -","- C52 H80 Au4 Cl4 N8 O8 -","4","1","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0925","0.0362","","","0.0412","0.0494","","","","","","1.025","","","","has coordinates","283700","2023-05-11","23:06:46",""
"7713005","7.1537","0.0002","11.7842","0.0003","20.3587","0.0005","90","","90","","90","","1716.25","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","EM392","","- C15 H24 Au Cl N2 O2 -","- C15 H24 Au Cl N2 O2 -","- C60 H96 Au4 Cl4 N8 O8 -","4","1","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0394","0.0289","","","0.0457","0.049","","","","","","1.017","","","","has coordinates","283700","2023-05-11","23:06:47",""
"7713006","8.964","0.0004","9.031","0.0003","9.5445","0.0004","67.245","0.004","67.968","0.004","88.758","0.003","653.57","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","EM329","","- C11 H16 Au Cl N2 O2 -","- C11 H16 Au Cl N2 O2 -","- C22 H32 Au2 Cl2 N4 O4 -","2","1","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0508","0.042","","","0.0874","0.0944","","","","","","1.216","","","","has coordinates","283700","2023-05-11","23:06:47",""
"7713007","6.18045","0.00011","11.0106","0.00013","25.1159","0.0004","90","","90.966","0.0016","90","","1708.91","0.05","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H24 Au Cl N2 O2 -","- C17 H24 Au Cl N2 O2 -","- C68 H96 Au4 Cl4 N8 O8 -","4","2","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0379","0.0368","","","0.0854","0.0861","","","","","","1.174","","","","has coordinates","283700","2023-05-11","23:06:47",""
"7713008","11.7529","0.0002","20.8862","0.0004","18.2988","0.0003","90","","90","","90","","4491.87","0.14","89.97","0.18","90.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H50 Br Cl3 Mn3 N6 O11 -","- C30 H50 Br Cl3.0004 Mn3 N6 O11 -","- C120 H200 Br4 Cl12.0016 Mn12 N24 O44 -","4","0.5","","Pražáková, Marie; Ndiaye, Daouda; Toth, Eva J.; Drahoš, Bohuslav","Seven-coordinate Mn(II) complex with a pyridine-based 15-membered macrocyclic ligand containing one acetate pendant arm: structure, stability and relaxation properties","Dalton Transactions","2023","","","","","10.1039/D3DT00701D","","","1.54184","CuKα","","0.0551","0.0532","","","0.1485","0.1505","","","","","","1.046","","","","has coordinates,has disorder","283701","2023-05-11","23:07:29",""
"7713009","6.061","0.0012","7.009","0.0014","10.677","0.002","89.49","0.03","84.51","0.03","87.4","0.03","451.03","0.15","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H18 N2 Ni O5 -","- C14 H18 N2 Ni O5 -","- C14 H18 N2 Ni O5 -","1","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Ni complex and 2D Ni-MOF: Topology dependent highly enhanced electrocatalytic OER activity","Dalton Transactions","2023","","","","","10.1039/D3DT00976A","","","0.63","synchrotron","","0.0766","0.076","","","0.1852","0.1861","","","","","","1.118","","","","has coordinates","283702","2023-05-11","23:07:47",""
"7713010","11.6386","0.0011","14.8042","0.0014","16.7878","0.0016","95.953","0.002","93.623","0.002","108.608","0.002","2712.3","0.4","100","","100","2","","","","","","","","6","P -1","-P 1","2","","Mn-tetramer","","- C78 H111 Cl4 Mn4 N12 O32 -","- C78 H112.8 Cl4 Mn4 N12 O32 -","- C78 H112.8 Cl4 Mn4 N12 O32 -","1","0.5","","Kumar, Rakesh; Keshri, Rahul; Prodhan, Koushik; Shaikh, Kanchan; Draksharapu, Apparao","A tetranuclear Mn-diamond core complex as a functional mimic of both catechol oxidase and phenoxazinone synthase enzymes","Dalton Transactions","2023","","","","","10.1039/D3DT00761H","","x-ray","0.71073","MoKα","","0.1172","0.0826","","","0.2078","0.2406","","","","","","1.02","","","","has coordinates,has disorder","283734","2023-05-12","22:51:04",""
"7713011","6.7742","0.0007","12.8385","0.0008","12.857","0.0008","68.257","0.006","75.092","0.008","81.994","0.007","1002.46","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cl2 Hf Si2 -","- C16 H26 Cl2 Hf Si2 -","- C32 H52 Cl4 Hf2 Si4 -","2","1","","Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.","Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00987D","","x-ray","0.71073","MoKα","","0.0723","0.0695","","","0.2064","0.2089","","","","","","1.163","","","","has coordinates","283735","2023-05-12","22:52:43",""
"7713012","12.6504","0.0003","15.5103","0.0003","19.096","0.0005","90","","106.407","0.003","90","","3594.28","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Hf(Cp')2(Cl){Si(SiMe3)3}]","","- C25 H53 Cl Hf Si6 -","- C25 H53 Cl Hf Si6 -","- C100 H212 Cl4 Hf4 Si24 -","4","1","","Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.","Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00987D","","x-ray","0.71073","MoKα","","0.0409","0.031","","","0.0551","0.0596","","","","","","1.039","","","","has coordinates","283735","2023-05-12","22:52:43",""
"7713013","12.1816","0.0006","13.2144","0.0006","20.7629","0.0008","86.723","0.003","74.85","0.004","63.24","0.005","2873.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[Hf(Cp')2(Bn)2]","","- C30 H40 Hf Si2 -","- C30 H40 Hf Si2 -","- C120 H160 Hf4 Si8 -","4","2","","Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.","Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00987D","","x-ray","0.71073","MoKα","","0.0882","0.053","","","0.0821","0.0979","","","","","","1.027","","","","has coordinates","283735","2023-05-12","22:52:44",""
"7713014","13.53762","0.00007","16.04434","0.00007","19.91805","0.00009","90","","100.031","0.0004","90","","4260.11","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Hf(Cp'')(Cp')(Cl){Si(SiMe3)3}]","","- C30.5 H67 Cl Hf Si7 -","- C28 H61 Cl Hf Si7 -","- C112 H244 Cl4 Hf4 Si28 -","4","1","","Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.","Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00987D","","x-ray","1.54184","CuKα","","0.0329","0.0329","","","0.0876","0.0876","","","","","","1.161","","","","has coordinates","283735","2023-05-12","22:52:44",""
"7713015","19.9729","0.0011","35.7285","0.0005","11.2395","0.0006","90","","144.858","0.012","90","","4616.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Th(Cp'')2(Cl){Si(SiMe3)3}]","","- C31 H69 Cl Si8 Th -","- C31 H69 Cl Si8 Th -","- C124 H276 Cl4 Si32 Th4 -","4","1","","Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.","Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00987D","","x-ray","1.54184","CuKα","","0.0434","0.0432","","","0.1177","0.118","","","","","","1.097","","","","has coordinates","283735","2023-05-12","22:52:44",""
"7713016","9.3391","0.0003","32.143","0.001","11.9936","0.0005","90","","96.875","0.003","90","","3574.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Hf(Cp')2(C3H5){Si(SiMe3)3}]","","- C28 H58 Hf Si6 -","- C28 H58 Hf Si6 -","- C112 H232 Hf4 Si24 -","4","1","","Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.","Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00987D","","x-ray","0.71073","MoKα","","0.0638","0.0519","","","0.1093","0.1156","","","","","","1.066","","","","has coordinates","283735","2023-05-12","22:52:44",""
"7713017","11.9622","0.0007","13.4561","0.0008","14.6657","0.0009","75.096","0.002","73.81","0.002","79.007","0.002","2172.7","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H46 B20 -","- C44 H46 B20 -","- C88 H92 B40 -","2","1","","Kim, Mingi; Yi, Sanghee; Kim, Dongwook; Shin, Ilsup; Seo, Yung Ju; You, Dong Kyun; Ryu, Chan Hee; Lee, Kang Mun","High radiative efficiency based on intramolecular charge transfer in 9,9’–bianthracene–ortho–carboranyl luminophore","Dalton Transactions","2023","","","","","10.1039/D3DT01086D","","","0.71073","MoKα","","0.1536","0.0804","","","0.1686","0.2004","","","","","","0.981","","","","has coordinates","283736","2023-05-12","22:53:36",""
"7713018","9.0033","0.0008","10.7752","0.001","15.3482","0.0012","72.575","0.008","83.019","0.007","73.246","0.008","1359.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Ho N5 O12 -","- C23 H32 Ho N5 O12 -","- C46 H64 Ho2 N10 O24 -","2","1","","Mylonas-Margaritis, Ioannis; Lada, Zoi G.; Kitos, Alexandros; Maniaki, Diamantoula; Skordi, Katerina; Tasiopoulos, Anastasios; Bekiari, Vlasoula; Escuer, Albert; Mayans, Julia; Nastopoulos, Vasilis; Bakalbassis, Evangelos; Papaioannou, Dionissios A.; Perlepes, Spyros","Interesting chemical and physical features in the products of the reactions between trivalent lanthanoids and a tetradentate Schiff base derived from cyclohexane-1,2-diamine","Dalton Transactions","2023","","","","","10.1039/D3DT00817G","","","1.54184","CuKα","","0.0401","0.0334","","","0.078","0.0814","","","","","","1.068","","","","has coordinates","283791","2023-05-15","22:57:36",""
"7713019","9.0693","0.0005","10.8628","0.0004","15.4923","0.0008","72.376","0.004","82.65","0.005","72.893","0.004","1389.01","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 N5 O12 Pr -","- C23 H32 N5 O12 Pr -","- C46 H64 N10 O24 Pr2 -","2","1","","Mylonas-Margaritis, Ioannis; Lada, Zoi G.; Kitos, Alexandros; Maniaki, Diamantoula; Skordi, Katerina; Tasiopoulos, Anastasios; Bekiari, Vlasoula; Escuer, Albert; Mayans, Julia; Nastopoulos, Vasilis; Bakalbassis, Evangelos; Papaioannou, Dionissios A.; Perlepes, Spyros","Interesting chemical and physical features in the products of the reactions between trivalent lanthanoids and a tetradentate Schiff base derived from cyclohexane-1,2-diamine","Dalton Transactions","2023","","","","","10.1039/D3DT00817G","","","0.71073","MoKα","","0.0391","0.0314","","","0.0605","0.0654","","","","","","1.036","","","","has coordinates","283791","2023-05-15","22:57:37",""
"7713020","9.0184","0.0004","10.7887","0.0004","15.3433","0.0008","72.65","0.004","82.897","0.004","73.22","0.004","1363.1","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 N5 O12 Tb -","- C23 H32 N5 O12 Tb -","- C46 H64 N10 O24 Tb2 -","2","1","","Mylonas-Margaritis, Ioannis; Lada, Zoi G.; Kitos, Alexandros; Maniaki, Diamantoula; Skordi, Katerina; Tasiopoulos, Anastasios; Bekiari, Vlasoula; Escuer, Albert; Mayans, Julia; Nastopoulos, Vasilis; Bakalbassis, Evangelos; Papaioannou, Dionissios A.; Perlepes, Spyros","Interesting chemical and physical features in the products of the reactions between trivalent lanthanoids and a tetradentate Schiff base derived from cyclohexane-1,2-diamine","Dalton Transactions","2023","","","","","10.1039/D3DT00817G","","","0.71073","MoKα","","0.0344","0.0298","","","0.058","0.0615","","","","","","1.059","","","","has coordinates","283791","2023-05-15","22:57:37",""
"7713021","9.0364","0.0005","10.8141","0.0005","15.3789","0.0008","72.768","0.004","82.691","0.004","73.102","0.005","1372.01","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Gd N5 O12 -","- C23 H32 Gd N5 O12 -","- C46 H64 Gd2 N10 O24 -","2","1","","Mylonas-Margaritis, Ioannis; Lada, Zoi G.; Kitos, Alexandros; Maniaki, Diamantoula; Skordi, Katerina; Tasiopoulos, Anastasios; Bekiari, Vlasoula; Escuer, Albert; Mayans, Julia; Nastopoulos, Vasilis; Bakalbassis, Evangelos; Papaioannou, Dionissios A.; Perlepes, Spyros","Interesting chemical and physical features in the products of the reactions between trivalent lanthanoids and a tetradentate Schiff base derived from cyclohexane-1,2-diamine","Dalton Transactions","2023","","","","","10.1039/D3DT00817G","","","0.71073","MoKα","","0.0394","0.0317","","","0.0572","0.0608","","","","","","1.03","","","","has coordinates","283791","2023-05-15","22:57:37",""
"7713022","9.0397","0.0004","10.8222","0.0006","15.4002","0.0007","72.6","0.004","82.703","0.004","73.013","0.004","1373.63","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 N5 O12 Sm -","- C23 H32 N5 O12 Sm -","- C46 H64 N10 O24 Sm2 -","2","1","","Mylonas-Margaritis, Ioannis; Lada, Zoi G.; Kitos, Alexandros; Maniaki, Diamantoula; Skordi, Katerina; Tasiopoulos, Anastasios; Bekiari, Vlasoula; Escuer, Albert; Mayans, Julia; Nastopoulos, Vasilis; Bakalbassis, Evangelos; Papaioannou, Dionissios A.; Perlepes, Spyros","Interesting chemical and physical features in the products of the reactions between trivalent lanthanoids and a tetradentate Schiff base derived from cyclohexane-1,2-diamine","Dalton Transactions","2023","","","","","10.1039/D3DT00817G","","","0.71073","MoKα","","0.0429","0.0344","","","0.0597","0.0662","","","","","","1.058","","","","has coordinates","283791","2023-05-15","22:57:37",""
"7713023","35.058","0.004","8.15","0.0009","23.637","0.003","90","","115.81","0.004","90","","6079.9","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","KC4","","","- C33 H30 Cl2 Mn N3 O3 -","- C32 H28 Mn N3 O3 -","- C256 H224 Mn8 N24 O24 -","8","1","","Cohen, Kailyn Y.; Nedd, Delaan G.; Evans, Rebecca; Bocarsly, Andrew B.","Mechanistic insights into CO<sub>2</sub> conversion to CO using cyano manganese complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00891f","","","0.71073","MoKα","","0.0721","0.0535","","","0.1299","0.1404","","","","","","1.033","","","","has coordinates","283792","2023-05-15","22:58:26",""
"7713024","9.0282","0.0002","9.5422","0.0002","43.8494","0.0007","90","","94.579","0.002","90","","3765.52","0.13","100","0.11","100","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ZnSS, [Zn(tpySS)2](PF6)2","Zinc(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)","","- C32 H26 F12 N6 P2 S4 Zn -","- C32 H26 F12 N6 P2 S4 Zn -","- C128 H104 F48 N24 P8 S16 Zn4 -","4","1","","Trang, Christina D. M.; Saal, Thomas; Inkpen , Michael Stephen","Methyldisulfide groups enable the direct connection of air-stable metal bis(terpyridine) complexes to gold surfaces","Dalton Transactions","2023","","","","","10.1039/D3DT00955F","","x-ray","1.54184","CuKα","","0.0925","0.0734","","","0.1888","0.2032","","","","","","1.029","","","","has coordinates,has disorder","283793","2023-05-15","22:59:27",""
"7713025","8.8399","0.0002","15.368","0.0003","10.8169","0.0002","90","","96.195","0.001","90","","1460.91","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tpySS","4?-(methyldisulfide)-2,2?:6?,2??-terpyridine","","- C16 H13 N3 S2 -","- C16 H13 N3 S2 -","- C64 H52 N12 S8 -","4","1","","Trang, Christina D. M.; Saal, Thomas; Inkpen , Michael Stephen","Methyldisulfide groups enable the direct connection of air-stable metal bis(terpyridine) complexes to gold surfaces","Dalton Transactions","2023","","","","","10.1039/D3DT00955F","","","1.54178","CuKα","","0.0313","0.0289","","","0.0797","0.0817","","","","","","1.075","","","","has coordinates","283793","2023-05-15","22:59:27",""
"7713026","8.9247","0.0003","36.9029","0.0012","13.7769","0.0005","90","","93.753","0.002","90","","4527.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CoSS, [Co(tpySS)2](PF6)2","Cobalt(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)","","- C38 H35 Co F12 N9 P2 S4 -","- C38 H35 Co F12 N9 P2 S4 -","- C152 H140 Co4 F48 N36 P8 S16 -","4","1","","Trang, Christina D. M.; Saal, Thomas; Inkpen , Michael Stephen","Methyldisulfide groups enable the direct connection of air-stable metal bis(terpyridine) complexes to gold surfaces","Dalton Transactions","2023","","","","","10.1039/D3DT00955F","","","1.54178","CuKα","","0.1061","0.0851","","","0.1886","0.1973","","","","","","1.163","","","","has coordinates,has disorder","283793","2023-05-15","22:59:28",""
"7713027","8.7953","0.0002","33.8428","0.0008","14.0963","0.0003","90","","92.314","0.002","90","","4192.45","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","FeSS, [Fe(tpySS)2](PF6)2","Iron(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)","","- C34 H29 F12 Fe N7 P2 S4 -","- C34 H29 F12 Fe N7 P2 S4 -","- C136 H116 F48 Fe4 N28 P8 S16 -","4","2","","Trang, Christina D. M.; Saal, Thomas; Inkpen , Michael Stephen","Methyldisulfide groups enable the direct connection of air-stable metal bis(terpyridine) complexes to gold surfaces","Dalton Transactions","2023","","","","","10.1039/D3DT00955F","","","1.54178","CuKα","","0.0807","0.0618","","","0.1342","0.1416","","","","","","1.037","","","","has coordinates,has disorder","283793","2023-05-15","22:59:28",""
"7713028","24.473","0.005","13.83","0.003","29.778","0.004","90","","116.898","0.005","90","","8988","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 La N21 O6 -","- C27 H27 B3 La N21 O6 -","- C216 H216 B24 La8 N168 O48 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0288","0.0219","","","0.046","0.0477","","","","","","1.022","","","","has coordinates","283794","2023-05-15","23:02:27",""
"7713029","24.248","0.002","13.7248","0.0017","28.843","0.004","90","","112.506","0.004","90","","8867.9","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 N21 O6 Tb -","- C27 H27 B3 N21 O6 Tb -","- C216 H216 B24 N168 O48 Tb8 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0483","0.0323","","","0.067","0.0713","","","","","","1.003","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713030","24.3443","0.0007","13.7711","0.0003","28.8113","0.0011","90","","112.537","0.001","90","","8921.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 N21 Nd O6 -","- C27 H27 B3 N21 Nd O6 -","- C216 H216 B24 N168 Nd8 O48 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0429","0.0295","","","0.0613","0.0651","","","","","","1.007","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713031","21.6423","0.0009","21.6423","0.0009","25.7873","0.0017","90","","90","","120","","10460.3","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C69 H69 B3 N21 O6 Tb -","- C69 H69 B3 N21 O6 Tb -","- C414 H414 B18 N126 O36 Tb6 -","6","0.333333","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.043","0.0355","","","0.0669","0.0689","","","","","","1.118","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713032","24.313","0.016","13.724","0.01","29.722","0.015","90","","115.893","0.013","90","","8922","10","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 Eu N21 O6 -","- C27 H27 B3 Eu N21 O6 -","- C216 H216 B24 Eu8 N168 O48 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0708","0.043","","","0.0794","0.0872","","","","","","0.975","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713033","24.296","0.006","13.742","0.002","29.768","0.004","90","","116.414","0.008","90","","8901","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 Gd N21 O6 -","- C27 H27 B3 Gd N21 O6 -","- C216 H216 B24 Gd8 N168 O48 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0338","0.0251","","","0.0601","0.0629","","","","","","1.02","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713034","24.291","0.005","13.695","0.003","29.707","0.008","90","","115.032","0.005","90","","8954","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 Dy N21 O6 -","- C27 H27 B3 Dy N21 O6 -","- C216 H216 B24 Dy8 N168 O48 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0496","0.0426","","","0.0833","0.0852","","","","","","1.163","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713035","24.4","0.008","13.801","0.003","29.778","0.01","90","","116.759","0.012","90","","8954","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 Ce N21 O6 -","- C27 H27 B3 Ce N21 O6 -","- C216 H216 B24 Ce8 N168 O48 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0316","0.0236","","","0.0525","0.0546","","","","","","1.042","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713036","24.324","0.015","13.756","0.01","28.833","0.015","90","","112.49","0.02","90","","8914","10","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 N21 O6 Sm -","- C27 H27 B3 N21 O6 Sm -","- C216 H216 B24 N168 O48 Sm8 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0363","0.0268","","","0.0585","0.0613","","","","","","0.996","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713037","24.369","0.006","13.783","0.003","28.792","0.007","90","","112.453","0.008","90","","8937","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 B3 N21 O6 Pr -","- C27 H27 B3 N21 O6 Pr -","- C216 H216 B24 N168 O48 Pr8 -","8","1","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0322","0.0252","","","0.0616","0.0638","","","","","","1.049","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713038","21.6878","0.0004","21.6878","0.0004","25.7723","0.0008","90","","90","","120","","10498.2","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C69 H69 B3 N21 O6 Sm -","- C69 H69 B3 N21 O6 Sm -","- C414 H414 B18 N126 O36 Sm6 -","6","0.333333","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0184","0.0175","","","0.0422","0.0426","","","","","","1.071","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713039","19.7341","0.0008","58.059","0.002","18.5454","0.0007","90","","114.463","0.004","90","","19340.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C224 H256 F30 N66 O6 Pd8 Si5 -","- C224 H256 F30 N66 O6 Pd8 Si5 -","- C448 H512 F60 N132 O12 Pd16 Si10 -","2","0.5","","Zhou, Yan-Fang; Yan, Dan-Ni; Hu, Shao-Jun; Zhou, Lipeng; Cai, Li-Xuan; Sun, Qing-Fu","A Pd4L2 Cage Containing Brønsted-Base Active Sites for One-Pot Photooxidation/Knoevenagel Condensation Reaction","Dalton Transactions","2023","","","","","10.1039/D3DT00815K","","","1.3405","GaKα","","0.1773","0.1543","","","0.3959","0.4092","","","","","","1.482","","","","has coordinates","283795","2023-05-15","23:04:11",""
"7713040","12.9685","0.0006","12.9815","0.0006","15.4846","0.0008","104.732","0.004","108.372","0.004","98.682","0.004","2315.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 B2 F8 N13 O3.5 -","- C43 H31 B2 F8 N13 -","- C86 H62 B4 F16 N26 -","2","1","","Zhou, Yan-Fang; Yan, Dan-Ni; Hu, Shao-Jun; Zhou, Lipeng; Cai, Li-Xuan; Sun, Qing-Fu","A Pd4L2 Cage Containing Brønsted-Base Active Sites for One-Pot Photooxidation/Knoevenagel Condensation Reaction","Dalton Transactions","2023","","","","","10.1039/D3DT00815K","","","1.3405","GaKα","","0.1025","0.0855","","","0.2526","0.2684","","","","","","1.07","","","","has coordinates,has disorder","283795","2023-05-15","23:04:12",""
"7713041","8.4857","0.0001","11.6205","0.0001","32.6317","0.0002","90","","90.467","0.001","90","","3217.64","0.05","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F17 N2 P -","- C10 H6 F17 N2 P -","- C80 H48 F136 N16 P8 -","8","2","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.0419","0.0399","","","0.1071","0.1085","","","","","","1.118","","","","has coordinates","283796","2023-05-15","23:05:52",""
"7713042","20.4078","0.0002","14.2097","0.0001","15.9722","0.0001","90","","96.907","0.001","90","","4598.14","0.06","100","2","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H23 F34 N2 P3 -","- C39 H23 F34 N2 P3 -","- C156 H92 F136 N8 P12 -","4","0.5","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.0315","0.0307","","","0.0787","0.0794","","","","","","1.052","","","","has coordinates","283796","2023-05-15","23:05:52",""
"7713043","12.3654","0.0002","15.5068","0.0002","13.9007","0.0002","90","","95.834","0.001","90","","2651.62","0.07","100","2","99.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 F34 K2 N4 O4 P2 -","- C36 H42 F34 K2 N4 O4 P2 -","- C72 H84 F68 K4 N8 O8 P4 -","2","0.5","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.0626","0.0583","","","0.1345","0.1363","","","","","","0.924","","","","has coordinates,has disorder","283796","2023-05-15","23:05:52",""
"7713044","11.4047","0.0004","12.8031","0.0005","14.8702","0.0009","112.761","0.005","101.065","0.004","92.038","0.003","1950.45","0.18","100","2","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 F34 K2 N4 P2 Se2 -","- C20 H10 F34 K2 N4 P2 Se2 -","- C40 H20 F68 K4 N8 P4 Se4 -","2","1","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.1113","0.0906","","","0.2445","0.2607","","","","","","1.055","","","","has coordinates","283796","2023-05-15","23:05:52",""
"7713045","11.504","0.0002","14.8392","0.0003","15.2026","0.0003","108.414","0.002","102.734","0.002","110.562","0.002","2139.09","0.1","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Au2 F34 N4 P4 -","- C26 H28 Au2 F34 N4 P4 -","- C52 H56 Au4 F68 N8 P8 -","2","1","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","0.71073","MoKα","","0.0317","0.0253","","","0.0551","0.0567","","","","","","1.037","","","","has coordinates","283796","2023-05-15","23:05:53",""
"7713046","38.1996","0.0003","11.612","0.0001","16.1595","0.0001","90","","90","","90","","7167.93","0.09","100","2","100","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C51 H74 F34 K2 N2 O15 P2 -","- C51 H74 F34 K2 N2 O15 P2 -","- C204 H296 F136 K8 N8 O60 P8 -","4","1","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.0371","0.0359","","","0.0791","0.0798","","","","","","1.168","","","","has coordinates","283796","2023-05-15","23:05:53",""
"7713047","11.7802","0.0001","12.2669","0.0001","17.7907","0.0002","80.079","0.001","79.5","0.001","79.146","0.001","2457.13","0.04","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H23 Au F34 K N4 P3 -","- C37 H23 Au F34 K N4 P3 -","- C74 H46 Au2 F68 K2 N8 P6 -","2","1","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.0302","0.0283","","","0.0641","0.0647","","","","","","1.362","","","","has coordinates","283796","2023-05-15","23:05:53",""
"7713048","10.0224","0.0011","18.493","0.002","11.1411","0.0011","90","","100.797","0.004","90","","2028.4","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I2 N5 O Zn -","- C19 H15 I2 N5 O Zn -","- C76 H60 I8 N20 O4 Zn4 -","4","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety","Dalton Transactions","2023","","","","","10.1039/D3DT01190A","","","0.71073","MoKα","","0.0515","0.0374","","","0.0793","0.085","","","","","","1.068","","","","has coordinates,has disorder","283811","2023-05-16","22:50:19",""
"7713049","9.5691","0.0003","11.3522","0.0003","17.3014","0.0005","90","","90.341","0.001","90","","1879.42","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N5 O Zn -","- C19 H14.9399 Cl2 N5 O Zn -","- C76 H59.7596 Cl8 N20 O4 Zn4 -","4","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety","Dalton Transactions","2023","","","","","10.1039/D3DT01190A","","","0.71073","MoKα","","0.0411","0.0367","","","0.0914","0.0931","","","","","","1.179","","","","has coordinates,has disorder","283811","2023-05-16","22:50:20",""
"7713050","7.245","0.0002","10.2741","0.0004","21.3089","0.0007","86.872","0.001","85.861","0.001","86.489","0.001","1577.04","0.09","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","2","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety","Dalton Transactions","2023","","","","","10.1039/D3DT01190A","","","0.71073","MoKα","","0.1038","0.0543","","","0.1174","0.1428","","","","","","1.029","","","","has coordinates","283811","2023-05-16","22:50:20",""
"7713051","9.8456","0.0002","11.1213","0.0002","17.7284","0.0003","90","","92.813","0.001","90","","1938.85","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br2 N5 O Zn -","- C19 H15 Br2 N5 O Zn -","- C76 H60 Br8 N20 O4 Zn4 -","4","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety","Dalton Transactions","2023","","","","","10.1039/D3DT01190A","","","0.71073","MoKα","","0.048","0.0356","","","0.0722","0.0754","","","","","","1.132","","","","has coordinates,has disorder","283811","2023-05-16","22:50:20",""
"7713052","10.6299","0.0002","13.3659","0.0003","17.2735","0.0004","106.512","0.001","100.97","0.001","107.458","0.001","2140.29","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.75 H16.5 Cl3.5 N5 O Zn -","- C19.75 H16.4529 Cl3.5 N5 O Zn -","- C79 H65.8116 Cl14 N20 O4 Zn4 -","4","2","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety","Dalton Transactions","2023","","","","","10.1039/D3DT01190A","","","0.71073","MoKα","","0.0472","0.0386","","","0.0877","0.0921","","","","","","1.031","","","","has coordinates,has disorder","283811","2023-05-16","22:50:20",""
"7713053","5.60323","0.00004","27.89861","0.00022","6.97976","0.00005","90","","106.594","0.0005","90","","1045.65","0.014","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Barium Lutetium Germanate","Barium hexalutetium heptagermanate","","- Ba Ge7 Lu6 O24 -","- Ba Ge7 Lu6 O24 -","- Ba2 Ge14 Lu12 O48 -","2","0.5","","Lipina, Olga A.; Surat, Ludmila L.; Chufarov, Alexander Yu; Baklanova, Inna V.; Enyashin, Andrey N.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Zubkov, Vladimir G.","Structural, electronic and optical properties of BaRE<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>) (RE = Tm, Yb, Lu) compounds and BaYb<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Tm<sup>3+</sup> and BaLu<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Yb<sup>3+</sup>,Tm<sup>3+</sup> phosphors: potential applications in temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00269a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.01962","","1.45","","","","","","","has coordinates","283836","2023-05-17","22:57:20",""
"7713054","5.63967","0.00004","27.85377","0.00025","7.01259","0.00006","90","","106.344","0.0005","90","","1057.06","0.015","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Barium Thulium Germanate","Barium hexathulium heptagermanate","","- Ba Ge7 O24 Tm6 -","- Ba Ge7 O24 Tm6 -","- Ba2 Ge14 O48 Tm12 -","2","0.5","","Lipina, Olga A.; Surat, Ludmila L.; Chufarov, Alexander Yu; Baklanova, Inna V.; Enyashin, Andrey N.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Zubkov, Vladimir G.","Structural, electronic and optical properties of BaRE<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>) (RE = Tm, Yb, Lu) compounds and BaYb<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Tm<sup>3+</sup> and BaLu<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Yb<sup>3+</sup>,Tm<sup>3+</sup> phosphors: potential applications in temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00269a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02172","","1.73","","","","","","","has coordinates","283837","2023-05-17","22:57:46",""
"7713055","9.8533","0.0002","10.0379","0.0002","10.7928","0.0003","88.126","0.002","76.94","0.002","74.52","0.002","1001.71","0.04","230","8","230","8","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Mn2 N6 O8 -","- C44 H40 Mn2 N6 O8 -","- C44 H40 Mn2 N6 O8 -","1","0.5","","Rigoni, Giacomo; Nylund, Pamela Viktoria Sofie; Albrecht, Martin","Manganese(III) complexes stabilized with N-heterocyclic carbene ligands for alcohol oxidation catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT01013A","","x-ray","1.54184","CuKα","","0.0301","0.0266","","","0.0719","0.0735","","","","","","1.06","","","","has coordinates","283838","2023-05-17","22:58:33",""
"7713056","10.2841","0.0003","13.675","0.0005","14.2509","0.0005","62.126","0.004","80.257","0.003","78.894","0.003","1731.21","0.12","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 Mn N2 O4 -","- C36 H49 Mn N2 O4 -","- C72 H98 Mn2 N4 O8 -","2","1","","Rigoni, Giacomo; Nylund, Pamela Viktoria Sofie; Albrecht, Martin","Manganese(III) complexes stabilized with N-heterocyclic carbene ligands for alcohol oxidation catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT01013A","","x-ray","0.71073","MoKα","","0.0878","0.0751","","","0.205","0.2158","","","","","","1.077","","","","has coordinates","283838","2023-05-17","22:58:33",""
"7713057","16.41996","0.00013","11.69669","0.00011","18.63705","0.00016","90","","98.1747","0.0008","90","","3543.05","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Mn N3 O4 -","- C36 H50 Mn N3 O4 -","- C144 H200 Mn4 N12 O16 -","4","1","","Rigoni, Giacomo; Nylund, Pamela Viktoria Sofie; Albrecht, Martin","Manganese(III) complexes stabilized with N-heterocyclic carbene ligands for alcohol oxidation catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT01013A","","x-ray","0.71073","MoKα","","0.0457","0.0353","","","0.0879","0.0951","","","","","","1.042","","","","has coordinates","283838","2023-05-17","22:58:33",""
"7713058","13.0985","0.0007","13.8588","0.0007","17.855","0.0009","70.315","0.002","82.445","0.002","78.492","0.002","2983.2","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H60 N8 O13 P4 Pd -","- C53 H60 N8 O13 P4 Pd -","- C106 H120 N16 O26 P8 Pd2 -","2","1","","Zhigileva, Ekaterina A.; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Chernyshev, Vladimir V.; Senchikhin, Ivan N.; Kovalenko, Konstantin A.; Stenina, Irina A.; Yaroslavtsev, Andrey B.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","An Anionic Porphyrinylphosphonate‐Based Hydrogen-Bonded Organic Framework: Optimization of the Proton Conductivity through the Exchange of Counterions","Dalton Transactions","2023","","","","","10.1039/D3DT01118F","","","0.71073","MoKα","","0.0766","0.0533","","","0.136","0.1501","","","","","","1.029","","","","has coordinates,has disorder","283839","2023-05-17","22:59:02",""
"7713059","33.2596","0.0004","20.8631","0.0003","22.6682","0.0003","90","","90","","90","","15729.4","0.4","150","0.1","150","0.1","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C113.68 H208.26 Cr8 F12 N4.64 O39.38 Zn2 -","- C113.756 H208.792 Cr8 F12.0008 N4.64 O39.404 Zn2 -","- C455.024 H835.168 Cr32 F48.0032 N18.56 O157.616 Zn8 -","4","0.25","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","1.54184","CuKα","","0.0651","0.049","","","0.1428","0.1562","","","","","","1.036","","","","has coordinates,has disorder","283840","2023-05-17","23:01:58",""
"7713060","13.5561","0.0007","20.1031","0.0012","21.8278","0.0012","94.884","0.005","92.43","0.005","109.377","0.005","5575.4","0.6","150.02","0.1","150.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C176.4 H308.17 Cr12 F16 N2 O52 Zn2 -","- C176.404 H308.176 Cr12 F16 N2 O52 Zn2 -","- C176.404 H308.176 Cr12 F16 N2 O52 Zn2 -","1","0.5","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","0.71073","MoKα","","0.1315","0.058","","","0.1179","0.1307","","","","","","0.88","","","","has coordinates,has disorder","283840","2023-05-17","23:01:59",""
"7713061","25.4202","0.0018","22.009","0.0008","29.4754","0.0012","90","","99.155","0.005","90","","16280.6","1.5","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C121 H203 Cr8 F12 N5 O36 Zn2 -","- C121 H203 Cr8 F12 N5 O36 Zn2 -","- C484 H812 Cr32 F48 N20 O144 Zn8 -","4","0.5","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","1.54184","CuKα","","0.0848","0.0662","","","0.2035","0.2178","","","","","","1.061","","","","has coordinates,has disorder","283840","2023-05-17","23:01:59",""
"7713062","25.1079","0.0006","16.813","0.0003","31.386","0.0008","90","","111.085","0.003","90","","12362.2","0.5","150","0.2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H158 Cr6 F8 N4 O32 Zn2 -","- C89.5 H158 Cr6 F8 N4 O32 Zn2 -","- C358 H632 Cr24 F32 N16 O128 Zn8 -","4","1","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","0.71073","MoKα","","0.1068","0.0598","","","0.1235","0.1389","","","","","","1.016","","","","has coordinates,has disorder","283840","2023-05-17","23:01:59",""
"7713063","34.9561","0.0007","16.6364","0.0002","44.4145","0.0009","90","","111.673","0.002","90","","24003","0.8","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C85 H153 Cr7 F8 N2 O32 Zn -","- C85 H153 Cr7 F8 N2 O32 Zn -","- C680 H1224 Cr56 F64 N16 O256 Zn8 -","8","1","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","0.71073","MoKα","","0.0573","0.0423","","","0.095","0.1003","","","","","","1.054","","","","has coordinates,has disorder","283840","2023-05-17","23:02:00",""
"7713064","36.4236","0.0005","36.4236","0.0005","19.1203","0.0003","90","","90","","120","","21968","0.5","150","0.1","150","0.1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C93 H163 Cr8 F11 N2 O34 Zn -","- C91 H163 Cr8 F11 N4 O34 Zn -","- C546 H978 Cr48 F66 N24 O204 Zn6 -","6","0.5","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","1.54184","CuKα","","0.211","0.1326","","","0.2866","0.3416","","","","","","1.045","","","","has coordinates,has disorder","283840","2023-05-17","23:02:00",""
"7713065","35.7225","0.0007","17.1341","0.0003","23.7329","0.0006","90","","90","","90","","14526.3","0.5","100","0.1","100","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C107 H196 Cr9 F12 N O37 Zn -","- C107 H196 Cr9 F12 N O37 Zn -","- C428 H784 Cr36 F48 N4 O148 Zn4 -","4","1","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","0.71073","MoKα","","0.0785","0.0508","","","0.0989","0.1072","","","","","","1.017","","","","has coordinates,has disorder","283840","2023-05-17","23:02:00",""
"7713066","21.7702","0.0006","21.957","0.0006","7.2513","0.0002","90","","90","","90","","3466.18","0.17","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C144 H192 N32 O16 -","16","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","1.54178","CuKα","","0.0354","0.0327","","","0.0778","0.0794","","","","","","1.072","","","","has coordinates","283841","2023-05-17","23:06:00",""
"7713067","16.7113","0.0006","10.8251","0.0004","15.6437","0.0006","90","","90","","90","","2829.97","0.18","110","0.1","110","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0662","0.0396","","","0.0867","0.1016","","","","","","1.056","","","","has coordinates","283841","2023-05-17","23:06:09",""
"7713068","8.7993","0.0002","9.56","0.0003","11.033","0.0004","92.371","0.002","100.401","0.002","114.782","0.002","821.64","0.05","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0587","0.0436","","","0.1061","0.1193","","","","","","1.055","","","","has coordinates","283841","2023-05-17","23:06:09",""
"7713069","19.8302","0.0012","8.1178","0.0005","18.3922","0.0012","90","","90","","90","","2960.7","0.3","110","0.1","110","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C144 H160 N16 O8 -","8","2","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0971","0.0868","","","0.221","0.234","","","","","","1.192","","","","has coordinates,has disorder","283841","2023-05-17","23:06:09",""
"7713070","12.0344","0.0013","13.1284","0.0016","12.6875","0.0015","90","","107.976","0.004","90","","1906.7","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Al N4 O2 -","- C19 H25 Al N4 O2 -","- C76 H100 Al4 N16 O8 -","4","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","0.71073","MoKα","","0.0559","0.0378","","","0.0867","0.0971","","","","","","1.038","","","","has coordinates","283841","2023-05-17","23:06:09",""
"7713071","8.7561","0.0007","10.6856","0.0007","12.8516","0.0009","90","","99.758","0.003","90","","1185.05","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Al2 N4 O2 -","- C22 H34 Al2 N4 O2 -","- C44 H68 Al4 N8 O4 -","2","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0464","0.0355","","","0.0859","0.0915","","","","","","1.063","","","","has coordinates","283841","2023-05-17","23:06:09",""
"7713072","8.2841","0.0006","10.5138","0.0008","19.9849","0.0015","89.305","0.003","80.72","0.004","82.276","0.004","1702.2","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H86 Cl3 N8 O4 Zn2 -","- C76.5 H86 Cl3 N8 O4 Zn2 -","- C76.5 H86 Cl3 N8 O4 Zn2 -","1","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","1.54178","CuKα~1~","K-L~3~","0.0716","0.0625","","","0.1573","0.1636","","","","","","1.078","","","","has coordinates,has disorder","283841","2023-05-17","23:06:09",""
"7713073","10.7763","0.0003","11.2517","0.0003","12.624","0.0003","93.987","0.002","111.862","0.001","115.434","0.001","1233.9","0.06","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N5 O2 Zn -","- C27 H31 N5 O2 Zn -","- C54 H62 N10 O4 Zn2 -","2","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0294","0.0238","","","0.0566","0.0593","","","","","","1.021","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713074","10.6168","0.0003","11.286","0.0004","11.5396","0.0004","75.743","0.002","89.755","0.002","71.855","0.002","1269.52","0.08","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N6 O2 Zn -","- C24 H36 N6 O2 Zn -","- C48 H72 N12 O4 Zn2 -","2","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0408","0.0259","","","0.0589","0.0655","","","","","","1.038","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713075","10.0934","0.0006","14.4079","0.0008","11.0432","0.0007","90","","107.793","0.002","90","","1529.14","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N6 O2 Zn2 -","- C28 H46 N6 O2 Zn2 -","- C56 H92 N12 O4 Zn4 -","2","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","0.71073","MoKα","","0.0253","0.0198","","","0.0477","0.05","","","","","","1.054","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713076","10.6976","0.0005","7.7241","0.0004","25.9622","0.0011","90","","95.4237","0.0015","90","","2135.63","0.17","115","0.1","115","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Al N4 O3 -","- C21 H29 Al N4 O3 -","- C84 H116 Al4 N16 O12 -","4","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.1115","0.0547","","","0.1125","0.1373","","","","","","1.013","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713077","9.5932","0.0007","12.3033","0.0009","24.3137","0.0019","90","","99.317","0.002","90","","2831.8","0.4","110","0","110","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N4 O2 Zn -","- C32 H34 N4 O2 Zn -","- C128 H136 N16 O8 Zn4 -","4","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0563","0.0385","","","0.0862","0.0929","","","","","","1.046","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713078","11.5025","0.0006","17.2998","0.001","11.507","0.0006","90","","107.584","0.002","90","","2182.8","0.2","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Al N4 O2 -","- C23 H29 Al N4 O2 -","- C92 H116 Al4 N16 O8 -","4","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0814","0.0465","","","0.1096","0.1292","","","","","","1.036","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713079","10.3231","0.0006","14.4461","0.0009","15.2624","0.001","90","","90","","90","","2276.1","0.2","100","0.1","100","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C22 H32 N4 O2 Zn2 -","- C22 H32 N4 O2 Zn2 -","- C88 H128 N16 O8 Zn8 -","4","0.25","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","0.71073","MoKα","","0.062","0.0331","","","0.0511","0.0579","","","","","","1.056","","","","has coordinates,has disorder","283841","2023-05-17","23:06:10",""
"7713080","13.8168","0.0015","11.5315","0.0013","11.4556","0.0011","90","","110.176","0.003","90","","1713.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O2 Zn -","- C18 H22 N4 O2 Zn -","- C72 H88 N16 O8 Zn4 -","4","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0345","0.0253","","","0.0578","0.0616","","","","","","1.086","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713081","8.5813","0.0006","9.6302","0.0007","12.5497","0.0009","97.97","0.004","99.773","0.004","102.037","0.004","983.15","0.12","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N4 O2 Zn2 -","- C46 H48 N4 O2 Zn2 -","- C46 H48 N4 O2 Zn2 -","1","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","1.54178","CuKα~1~","K-L~3~","0.142","0.1186","","","0.31","0.3283","","","","","","1.069","","","","has coordinates","283841","2023-05-17","23:06:10",""
"7713082","12.4063","0.0012","13.745","0.0012","14.0446","0.0013","110.884","0.003","110.057","0.003","104.529","0.004","1902.5","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C87 H98 Al2 N8 O4 -","- C87 H98 Al2 N8 O4 -","- C87 H98 Al2 N8 O4 -","1","0.5","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","0.71073","MoKα","","0.0858","0.0581","","","0.1339","0.1547","","","","","","1.025","","","","has coordinates,has disorder","283841","2023-05-17","23:06:10",""
"7713083","13.1727","0.0005","13.2803","0.0005","15.236","0.0005","90.573","0.001","97.609","0.001","109.207","0.001","2490.73","0.16","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H29 Cl5 F10 N4 Pd -","- C49 H24 F10 N4 Pd -","- C98 H48 F20 N8 Pd2 -","2","1","","Martin, Maxwell I.; Pham, Trong-Nhan; Ward, Kaytlin N.; Rice, Anthony T.; Hertler, Phoebe R.; Yap, Glenn P. A.; Gilmartin, Philip H.; Rosenthal, Joel","Mapping the influence of ligand electronics on the spectroscopic and <sup>1</sup>O<sub>2</sub> sensitization characteristics of Pd(II) biladiene complexes bearing phenyl-alkynyl groups at the 2- and 18-positions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00691c","","","0.71073","MoKα","","0.0798","0.0491","","","0.1267","0.1506","","","","","","1.017","","","","has coordinates","283878","2023-05-18","23:05:23",""
"7713084","32.1914","0.0017","9.8728","0.0005","30.9174","0.0017","90","","107.046","0.001","90","","9394.5","0.9","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 F10 N4 O2 Pd -","- C51 H28 F10 N4 O2 Pd -","- C408 H224 F80 N32 O16 Pd8 -","8","1","","Martin, Maxwell I.; Pham, Trong-Nhan; Ward, Kaytlin N.; Rice, Anthony T.; Hertler, Phoebe R.; Yap, Glenn P. A.; Gilmartin, Philip H.; Rosenthal, Joel","Mapping the influence of ligand electronics on the spectroscopic and <sup>1</sup>O<sub>2</sub> sensitization characteristics of Pd(II) biladiene complexes bearing phenyl-alkynyl groups at the 2- and 18-positions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00691c","","","0.71073","MoKα","","0.0424","0.0342","","","0.0825","0.0874","","","","","","1.022","","","","has coordinates","283878","2023-05-18","23:05:24",""
"7713085","44.559","0.002","11.8743","0.0006","31.6316","0.0016","90","","122.151","0.002","90","","14169.9","1.2","150","2","150.02","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52.34 H24.66 Cl2.66 F10 N6 Pd -","- C51 H22 F10 N6 Pd -","- C612 H264 F120 N72 Pd12 -","12","3","","Martin, Maxwell I.; Pham, Trong-Nhan; Ward, Kaytlin N.; Rice, Anthony T.; Hertler, Phoebe R.; Yap, Glenn P. A.; Gilmartin, Philip H.; Rosenthal, Joel","Mapping the influence of ligand electronics on the spectroscopic and <sup>1</sup>O<sub>2</sub> sensitization characteristics of Pd(II) biladiene complexes bearing phenyl-alkynyl groups at the 2- and 18-positions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00691c","","","0.71073","MoKα","","0.0704","0.0469","","","0.1044","0.1144","","","","","","1.01","","","","has coordinates","283878","2023-05-18","23:05:24",""
"7713086","20.6184","0.0009","15.4765","0.0007","34.4992","0.0015","90","","92.264","0.002","90","","11000.1","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H38 F16 N4 Pd -","- C58 H30 F16 N4 Pd -","- C464 H240 F128 N32 Pd8 -","8","2","","Martin, Maxwell I.; Pham, Trong-Nhan; Ward, Kaytlin N.; Rice, Anthony T.; Hertler, Phoebe R.; Yap, Glenn P. A.; Gilmartin, Philip H.; Rosenthal, Joel","Mapping the influence of ligand electronics on the spectroscopic and <sup>1</sup>O<sub>2</sub> sensitization characteristics of Pd(II) biladiene complexes bearing phenyl-alkynyl groups at the 2- and 18-positions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00691c","","","1.54178","CuKα","","0.0731","0.0636","","","0.1495","0.1568","","","","","","1.054","","","","has coordinates","283878","2023-05-18","23:05:24",""
"7713087","17.0561","0.0003","40.9364","0.0007","17.3489","0.0003","90","","118.929","0.001","90","","10601.8","0.3","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Al B F36 N2 O5 P -","- C37 H37 Al B F36 N2 O5 P -","- C296 H296 Al8 B8 F288 N16 O40 P8 -","8","2","","Kaniewska-Laskowska, Kinga; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Application of nonmetallic frustrated cations in the activation of small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT01433A","","","0.71073","MoKα","","0.1002","0.072","","","0.1576","0.1786","","","","","","1.056","","","","has coordinates,has disorder","283879","2023-05-18","23:06:55",""
"7713088","18.6108","0.0004","14.3902","0.0004","20.5231","0.0004","90","","113.982","0.001","90","","5021.9","0.2","120","2","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Al B F36 N3 O4 P -","- C34 H38 Al B F36 N3 O4 P -","- C136 H152 Al4 B4 F144 N12 O16 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Application of nonmetallic frustrated cations in the activation of small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT01433A","","","0.71073","MoKα","","0.1116","0.0979","","","0.2534","0.2687","","","","","","1.019","","","","has coordinates,has disorder","283879","2023-05-18","23:06:57",""
"7713089","10.5987","0.0011","16.314","0.003","32.12","0.003","90","","98.263","0.007","90","","5496.1","1.3","120","2","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Al B F36 N3 O4 P -","- C37 H46 Al B F36 N3 O4 P -","- C148 H184 Al4 B4 F144 N12 O16 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Application of nonmetallic frustrated cations in the activation of small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT01433A","","","0.71073","MoKα","","0.1168","0.0826","","","0.1758","0.203","","","","","","1.096","","","","has coordinates,has disorder","283879","2023-05-18","23:06:57",""
"7713090","14.2923","0.0011","27.525","0.003","14.8101","0.0011","90","","94.22","0.006","90","","5810.4","0.9","120","2","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Al B F36 N3 O5 P -","- C39 H40 Al B F36 N3 O5 P -","- C156 H160 Al4 B4 F144 N12 O20 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Application of nonmetallic frustrated cations in the activation of small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT01433A","","","0.71073","MoKα","","0.1245","0.0981","","","0.2376","0.2643","","","","","","1.019","","","","has coordinates,has disorder","283879","2023-05-18","23:06:57",""
"7713091","8.5368","0.0004","8.5368","0.0004","17.4591","0.0011","90","","90","","120","","1101.9","0.1","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H22 Cu N4 O3 -","- C12 H22 Cu N4 O3 -","- C36 H66 Cu3 N12 O9 -","3","0.5","","Eerlapally, Raju; Gupta, Sikha; Awasthi, Ayushi; Kumar, Rakesh; Draksharapu, Apparao","Spectroscopic characterization and reactivity of a high valent (L)Cu(III) species supported by proline-based pseudo peptide","Dalton Transactions","2023","","","","","10.1039/D3DT00697B","","x-ray","0.71073","MoKα","","0.0202","0.0196","","","0.0503","0.051","","","","","","1.109","","","","has coordinates","283880","2023-05-18","23:07:36",""
"7713092","10.6131","0.0017","13.336","0.002","13.515","0.002","102.248","0.004","94.419","0.005","107.571","0.004","1761.6","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.5 H31 B Cu F4 N4 O0.5 P -","- C35.5 H29 B Cu F4 N4 O0.5 P -","- C71 H58 B2 Cu2 F8 N8 O P2 -","2","1","","Zhao, You-Hui; Li, Hai-Yan; Young, David James; Cao, Xiangqian; Zhu, Da-Liang; Ren, Zhi-Gang; Li, Hong-Xi","Heteroleptic copper(I) complexes [Cu(dmp)(N^P)]BF4 for photoinduced atom-transfer radical addition reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00321C","","","0.71073","MoKα","","0.1549","0.0718","","","0.1768","0.2078","","","","","","1.082","","","","has coordinates,has disorder","283881","2023-05-18","23:08:44",""
"7713093","10.8101","0.0014","12.1918","0.0017","16.312","0.002","98.412","0.004","108.062","0.004","100.7","0.004","1960","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H35.5 B Cu F4 N5.5 P -","- C39 H31 B Cu F4 N5.5 P -","- C78 H62 B2 Cu2 F8 N11 P2 -","2","1","","Zhao, You-Hui; Li, Hai-Yan; Young, David James; Cao, Xiangqian; Zhu, Da-Liang; Ren, Zhi-Gang; Li, Hong-Xi","Heteroleptic copper(I) complexes [Cu(dmp)(N^P)]BF4 for photoinduced atom-transfer radical addition reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00321C","","","0.71073","MoKα","","0.1176","0.0683","","","0.194","0.2231","","","","","","1.033","","","","has coordinates,has disorder","283881","2023-05-18","23:08:44",""
"7713094","12.0193","0.0003","18.5661","0.0006","18.5678","0.0008","89.141","0.003","72.401","0.003","75.892","0.003","3822.6","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 B Cu F4 N5 P -","- C43 H36 B Cu F4 N5 P -","- C172 H144 B4 Cu4 F16 N20 P4 -","4","2","","Zhao, You-Hui; Li, Hai-Yan; Young, David James; Cao, Xiangqian; Zhu, Da-Liang; Ren, Zhi-Gang; Li, Hong-Xi","Heteroleptic copper(I) complexes [Cu(dmp)(N^P)]BF4 for photoinduced atom-transfer radical addition reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00321C","","","1.54184","CuKα","","0.0792","0.0674","","","0.1706","0.1854","","","","","","1.085","","","","has coordinates","283881","2023-05-18","23:08:45",""
"7713095","9.5309","0.0005","12.5267","0.0007","16.7613","0.0009","77.384","0.002","74.714","0.002","79.755","0.002","1868.3","0.18","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H37 B Cu F4 N4 O P -","- C38 H33 B Cu F4 N4 O P -","- C76 H66 B2 Cu2 F8 N8 O2 P2 -","2","1","","Zhao, You-Hui; Li, Hai-Yan; Young, David James; Cao, Xiangqian; Zhu, Da-Liang; Ren, Zhi-Gang; Li, Hong-Xi","Heteroleptic copper(I) complexes [Cu(dmp)(N^P)]BF4 for photoinduced atom-transfer radical addition reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00321C","","","0.71073","MoKα","","0.0917","0.0618","","","0.1749","0.1919","","","","","","1.104","","","","has coordinates,has disorder","283881","2023-05-18","23:08:45",""
"7713096","17.148","0.002","17.406","0.002","25.948","0.003","90","","105.459","0.006","90","","7464.7","1.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 Cu2 N4 -","- C64 H86 Cu2 N4 -","- C256 H344 Cu8 N16 -","4","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Lopes, Patrícia S.; Lemos, Maria Amélia N. D. A.; Veiros, Luis F.","New copper(I) complexes of bulky 5-substituted-2-iminopyrrolyl ligands as catalysts for azide-alkyne cycloaddition","Dalton Transactions","2023","","","","","10.1039/D3DT00617D","","","0.71073","MoKα","","0.1727","0.0772","","","0.1797","0.2145","","","","","","0.837","","","","has coordinates","283882","2023-05-18","23:10:09",""
"7713097","18.8775","0.0007","16.6289","0.0006","16.1945","0.0006","90","","108.683","0.001","90","","4815.8","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cu F6 N2 -","- C25 H23 Cu F6 N2 -","- C200 H184 Cu8 F48 N16 -","8","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Lopes, Patrícia S.; Lemos, Maria Amélia N. D. A.; Veiros, Luis F.","New copper(I) complexes of bulky 5-substituted-2-iminopyrrolyl ligands as catalysts for azide-alkyne cycloaddition","Dalton Transactions","2023","","","","","10.1039/D3DT00617D","","","0.71073","MoKα","","0.0629","0.0419","","","0.1029","0.1126","","","","","","1.034","","","","has coordinates","283882","2023-05-18","23:10:09",""
"7713098","12.766","0.002","13.503","0.003","20.234","0.003","83.795","0.008","87.004","0.008","73.954","0.005","3331.5","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H70 Cu2 N4 -","- C72 H70 Cu2 N4 -","- C144 H140 Cu4 N8 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Lopes, Patrícia S.; Lemos, Maria Amélia N. D. A.; Veiros, Luis F.","New copper(I) complexes of bulky 5-substituted-2-iminopyrrolyl ligands as catalysts for azide-alkyne cycloaddition","Dalton Transactions","2023","","","","","10.1039/D3DT00617D","","","0.71073","MoKα","","0.1448","0.1083","","","0.2981","0.3243","","","","","","1.057","","","","has coordinates","283882","2023-05-18","23:10:09",""
"7713099","10.5418","0.0009","11.9349","0.0011","21.971","0.002","83.347","0.006","80.624","0.006","80.833","0.005","2681","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cu2 N4 O4 -","- C50 H56 Cu2 N4 O4 -","- C100 H112 Cu4 N8 O8 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Lopes, Patrícia S.; Lemos, Maria Amélia N. D. A.; Veiros, Luis F.","New copper(I) complexes of bulky 5-substituted-2-iminopyrrolyl ligands as catalysts for azide-alkyne cycloaddition","Dalton Transactions","2023","","","","","10.1039/D3DT00617D","","","0.71073","MoKα","","0.1427","0.0755","","","0.1878","0.2177","","","","","","0.864","","","","has coordinates","283882","2023-05-18","23:10:10",""
"7713100","12.90827","0.00013","13.42943","0.00013","21.6307","0.0002","90","","104.193","0.0009","90","","3635.24","0.06","122.99","0.11","122.99","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 Ag N3 Si2 -","- C33 H54 Ag N3 Si2 -","- C132 H216 Ag4 N12 Si8 -","4","1","","Giarrusso, Claudia P.; Zeil, Daniel V.; Blair, Victoria L.","Catalytic exploration of NHC-Ag(I)HMDS complexes for the hydroboration and hydrosilylation of carbonyl compounds.","Dalton Transactions","2023","","","","","10.1039/D3DT01042B","","x-ray","1.54184","CuKα","","0.0486","0.0424","","","0.1156","0.1201","","","","","","1.057","","","","has coordinates","283884","2023-05-18","23:10:58",""
"7713101","20.2489","0.0008","12.27","0.0005","12.8905","0.0006","90","","105.751","0.004","90","","3082.4","0.2","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Ag N3 Si2 -","- C29 H50 Ag N3 Si2 -","- C116 H200 Ag4 N12 Si8 -","4","0.5","","Giarrusso, Claudia P.; Zeil, Daniel V.; Blair, Victoria L.","Catalytic exploration of NHC-Ag(I)HMDS complexes for the hydroboration and hydrosilylation of carbonyl compounds.","Dalton Transactions","2023","","","","","10.1039/D3DT01042B","","x-ray","0.71073","MoKα","","0.0425","0.0396","","","0.1087","0.1107","","","","","","1.068","","","","has coordinates","283884","2023-05-18","23:10:59",""
"7713102","9.64","0.002","10.518","0.003","10.543","0.002","74.342","0.006","71.581","0.009","75.201","0.006","959.5","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H24 Cl2 Si Zr -","- C20 H24 Cl2 Si Zr -","- C40 H48 Cl4 Si2 Zr2 -","2","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0995","0.0561","","","0.1153","0.1394","","","","","","0.938","","","","has coordinates","283898","2023-05-19","22:54:49",""
"7713103","10.2268","0.0013","11.5064","0.0013","12.7604","0.0015","87.285","0.004","67.191","0.004","82","0.005","1370.6","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H30 Cl2 Si Zr -","- C27 H30 Cl2 Si Zr -","- C54 H60 Cl4 Si2 Zr2 -","2","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0583","0.0541","","","0.1367","0.14","","","","","","1.116","","","","has coordinates","283898","2023-05-19","22:54:50",""
"7713104","9.2245","0.0008","9.6841","0.0008","24.836","0.002","97.692","0.003","97.894","0.003","104.493","0.005","2094.7","0.3","296","2","296","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H60 Cl2 O2 Si Zr -","- C42 H60 Cl2 O2 Si Zr -","- C84 H120 Cl4 O4 Si2 Zr2 -","2","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0797","0.0682","","","0.1899","0.2056","","","","","","1.003","","","","has coordinates","283898","2023-05-19","22:54:50",""
"7713105","10.232","0.0015","11.6128","0.0015","12.8244","0.0017","87.756","0.005","67.625","0.005","81.863","0.005","1394.7","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H30 Cl2 Hf Si -","- C27 H30 Cl2 Hf Si -","- C54 H60 Cl4 Hf2 Si2 -","2","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0493","0.0398","","","0.0972","0.1035","","","","","","1.107","","","","has coordinates","283898","2023-05-19","22:54:50",""
"7713106","10.8073","0.001","17.0431","0.0016","15.6166","0.0016","90","","93.24","0.004","90","","2871.8","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 Cl2 Si Zr -","- C35 H34 Cl2 Si Zr -","- C140 H136 Cl8 Si4 Zr4 -","4","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0358","0.0278","","","0.0635","0.0674","","","","","","1.027","","","","has coordinates","283898","2023-05-19","22:54:50",""
"7713107","13.5939","0.0016","13.3843","0.0013","17.1306","0.0019","90","","107.912","0.004","90","","2965.8","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 O Si Zr -","- C32 H40 Cl2 O Si Zr -","- C128 H160 Cl8 O4 Si4 Zr4 -","4","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0703","0.0544","","","0.1413","0.1567","","","","","","1.063","","","","has coordinates","283898","2023-05-19","22:54:50",""
"7713108","10.5046","0.0009","13.1681","0.0011","17.5901","0.0015","104.387","0.003","98.242","0.003","111.897","0.003","2110.1","0.3","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H58 Cl2 O2 Si Zr -","- C41 H58 Cl2 O2 Si Zr -","- C82 H116 Cl4 O4 Si2 Zr2 -","2","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0424","0.0343","","","0.0836","0.0879","","","","","","1.024","","","","has coordinates","283898","2023-05-19","22:54:51",""
"7713109","13.5837","0.0012","13.3364","0.0011","17.0243","0.0017","90","","107.861","0.003","90","","2935.4","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Hf O Si -","- C32 H40 Cl2 Hf O Si -","- C128 H160 Cl8 Hf4 O4 Si4 -","4","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0382","0.0296","","","0.0735","0.0803","","","","","","1.106","","","","has coordinates","283898","2023-05-19","22:54:51",""
"7713110","12.632","0.0008","18.1924","0.0014","23.8569","0.0017","86.522","0.003","85.21","0.002","84.849","0.002","5433.4","0.7","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C112 H154 Cl6 Si3 Zr3 -","- C112 H154 Cl6 Si3 Zr3 -","- C224 H308 Cl12 Si6 Zr6 -","2","1","","Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni","C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT01306E","","x-ray","0.71073","MoKα","","0.0568","0.0375","","","0.0891","0.0988","","","","","","1.026","","","","has coordinates","283898","2023-05-19","22:54:51",""
"7713111","28.97","0.003","8.9096","0.0008","17.3086","0.0015","90","","125.362","0.001","90","","3643.3","0.6","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H17 Eu F N O12 P2 -","- C11 H17 Eu F N O12 P2 -","- C88 H136 Eu8 F8 N8 O96 P16 -","8","1","","Zhang, Xu; Liu, Dongyan; Yu, Jiahui; Li, Xin; Zheng, Hanwen; Zhou, Yanan; Huang, Cui-Ying; Zhu, Yanyu; Jiao, Cheng–Qi; Sun, Zhen-Gang","Highly pH-stable lanthanide MOFs: tunable luminescence and ratiometric luminescent probe for sulfamethazine","Dalton Transactions","2023","","","","","10.1039/D3DT01117H","","","0.71073","MoKα","","0.0599","0.0339","","","0.0559","0.0616","","","","","","0.989","","","","has coordinates","283899","2023-05-19","22:56:26",""
"7713112","29.012","0.004","8.8924","0.0013","17.275","0.002","90","","125.362","0.002","90","","3634.5","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 F Gd N O12 P2 -","- C11 H17 F Gd N O12 P2 -","- C88 H136 F8 Gd8 N8 O96 P16 -","8","1","","Zhang, Xu; Liu, Dongyan; Yu, Jiahui; Li, Xin; Zheng, Hanwen; Zhou, Yanan; Huang, Cui-Ying; Zhu, Yanyu; Jiao, Cheng–Qi; Sun, Zhen-Gang","Highly pH-stable lanthanide MOFs: tunable luminescence and ratiometric luminescent probe for sulfamethazine","Dalton Transactions","2023","","","","","10.1039/D3DT01117H","","","0.71073","MoKα","","0.0492","0.031","","","0.0611","0.067","","","","","","0.984","","","","has coordinates","283899","2023-05-19","22:56:27",""
"7713113","29.0892","0.0016","8.8694","0.0005","17.2574","0.0009","90","","125.399","0.005","90","","3629.4","0.4","296.15","0.1","296.15","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H17 F N O12 P2 Tb -","- C11 H17 F N O12 P2 Tb -","- C88 H136 F8 N8 O96 P16 Tb8 -","8","1","","Zhang, Xu; Liu, Dongyan; Yu, Jiahui; Li, Xin; Zheng, Hanwen; Zhou, Yanan; Huang, Cui-Ying; Zhu, Yanyu; Jiao, Cheng–Qi; Sun, Zhen-Gang","Highly pH-stable lanthanide MOFs: tunable luminescence and ratiometric luminescent probe for sulfamethazine","Dalton Transactions","2023","","","","","10.1039/D3DT01117H","","x-ray","0.71073","MoKα","","0.0934","0.075","","","0.145","0.1536","","","","","","1.05","","","","has coordinates","283899","2023-05-19","22:56:27",""
"7713114","10.0805","0.0004","10.0805","0.0004","17.8516","0.001","90","","90","","120","","1570.98","0.12","93","","93","","","","","","","","","6","P 63","P 6c","173","","","","- C27 H22 Fe2 O6 P S6 -","- C27.0006 H22.0014 Fe2 O6 P S6 -","- C54.0012 H44.0028 Fe4 O12 P2 S12 -","2","0.333333","","Taniai, Ryosuke; Endo, Tsubasa; KANETOMO, Takuya; Okazawa, Atsushi; Kadobayashi, Hirokazu; Kawaguchi, Saori I.; Enomoto, Masaya","57Fe Mössbauer Spectroscopy and High-Pressure Structural Analysis for Mechanism of Pressure-Induced Unique Magnetic Behaviour in (cation)[FeIIFeIII(dto)3] (cation = Ph4P and nPrPh3P; dto = 1,2-dithiooxalato)","Dalton Transactions","2023","","","","","10.1039/D3DT00858D","","","0.71073","MoKα","","0.0784","0.0679","","","0.1738","0.1804","","","","","","1.15","","","","has coordinates,has disorder","283900","2023-05-19","22:57:14",""
"7713115","29.1631","0.0006","11.2974","0.0002","13.8266","0.0003","90","","114.072","0.002","90","","4159.24","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ge-bridged diazulenylmethyl cation","","","- C23 H19 F6 Ge P -","- C23 H19 F6 Ge P -","- C184 H152 F48 Ge8 P8 -","8","2","","Murai, Masahito; Ito, Mako; Takahashi, Satoshi; Yamaguchi, Shigehiro","Germanium- and Tin-Bridged Diazulenylmethyl Cations: Effects of the Group 14 Element on the Structure and Properties of the π-Extended Cation","Dalton Transactions","2023","","","","","10.1039/D3DT01491F","","","0.4129","synchrotron","","0.048","0.0442","","","0.0956","0.0972","","","","","","1.06","","","","has coordinates","283946","2023-05-22","22:50:29",""
"7713116","36.125","0.003","25.6979","0.0018","26.505","0.004","90","","122.641","0.002","90","","20720","4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H86 F9 Lu2 N14 O18 S3 Zn2 -","- C76 H86 F9 Lu2 N14 O18 S3 Zn2 -","- C608 H688 F72 Lu16 N112 O144 S24 Zn16 -","8","1","","Zhi, Liu; Fan, Yin; Yang, Jian; Guo, Xiao-Qing; Zhou, Lipeng; Tian, Chong-Bin; Sun, Qing-Fu","Hierarchical Subcomponent Self-assembly of Covalent Triple-stranded Complex with 3d-4f Vertices: Luminescence and Magnetic Property","Dalton Transactions","2023","","","","","10.1039/D3DT01139A","","","0.71073","MoKα","","0.0729","0.0473","","","0.1188","0.1393","","","","","","1.04","","","","has coordinates,has disorder","283947","2023-05-22","22:51:40",""
"7713117","20.602","0.002","26.315","0.002","28.155","0.002","90","","93.285","0.004","90","","15239","2","159.98","","159.98","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C111 H104 F12 Lu2 N14 O20 S4 Zn2 -","- C111 H104 F12 Lu2 N14 O20 S4 Zn2 -","- C444 H416 F48 Lu8 N56 O80 S16 Zn8 -","4","0.5","","Zhi, Liu; Fan, Yin; Yang, Jian; Guo, Xiao-Qing; Zhou, Lipeng; Tian, Chong-Bin; Sun, Qing-Fu","Hierarchical Subcomponent Self-assembly of Covalent Triple-stranded Complex with 3d-4f Vertices: Luminescence and Magnetic Property","Dalton Transactions","2023","","","","","10.1039/D3DT01139A","","","0.71073","MoKα","","0.1151","0.0815","","","0.204","0.2315","","","","","","1.022","","","","has coordinates,has disorder","283947","2023-05-22","22:51:40",""
"7713118","16.624","0.003","21.239","0.003","25.607","0.004","79.242","0.003","81.468","0.004","70.737","0.004","8348","2","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C128 H126 F9 Lu2 N20 O20 S3 Zn2 -","- C128 H126 F9 Lu2 N20 O20 S3 Zn2 -","- C256 H252 F18 Lu4 N40 O40 S6 Zn4 -","2","1","","Zhi, Liu; Fan, Yin; Yang, Jian; Guo, Xiao-Qing; Zhou, Lipeng; Tian, Chong-Bin; Sun, Qing-Fu","Hierarchical Subcomponent Self-assembly of Covalent Triple-stranded Complex with 3d-4f Vertices: Luminescence and Magnetic Property","Dalton Transactions","2023","","","","","10.1039/D3DT01139A","","","0.71073","MoKα","","0.1293","0.0673","","","0.1499","0.1791","","","","","","0.932","","","","has coordinates","283947","2023-05-22","22:51:40",""
"7713119","16.3085","0.0004","10.0558","0.0002","23.0623","0.0005","90","","110.063","0.002","90","","3552.59","0.14","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H41 Cl N2 Pd -","- C38 H41 Cl N2 Pd -","- C152 H164 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0214","0.0207","","","0.0526","0.053","","","","","","1.049","","","","has coordinates","283948","2023-05-22","22:57:21",""
"7713120","16.4939","0.0014","17.6838","0.0006","16.9141","0.0011","90","","118.57","0.01","90","","4332.7","0.6","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 B F6 N2 -","- C45 H39 B F6 N2 -","- C180 H156 B4 F24 N8 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","1.54184","CuKα","","0.1782","0.0986","","","0.2795","0.3322","","","","","","1.034","","","","has coordinates","283948","2023-05-22","22:57:21",""
"7713121","9.4507","0.0003","27.047","0.0008","16.502","0.0005","90","","104.028","0.003","90","","4092.3","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 B F4 N2 -","- C47 H45 B F4 N2 -","- C188 H180 B4 F16 N8 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","1.54184","CuKα","","0.0943","0.0578","","","0.1441","0.1701","","","","","","1.021","","","","has coordinates,has disorder","283948","2023-05-22","22:57:21",""
"7713122","9.3566","0.0001","17.004","0.0002","18.878","0.0002","90","","96.757","0.001","90","","2982.62","0.06","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H35 Cl2 N2 Pd -","- C32.5 H35 Cl2 N2 Pd -","- C130 H140 Cl8 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","1.54184","CuKα","","0.0494","0.0467","","","0.1283","0.1331","","","","","","1.051","","","","has coordinates,has disorder","283948","2023-05-22","22:57:21",""
"7713123","9.6459","0.0002","21.2509","0.0003","12.3138","0.0002","90","","96.214","0.002","90","","2509.3","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N2 Pd -","- C26 H33 Cl N2 Pd -","- C104 H132 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0392","0.029","","","0.0688","0.0735","","","","","","1.06","","","","has coordinates","283948","2023-05-22","22:57:21",""
"7713124","9.978","0.0002","33.5142","0.0007","15.1164","0.0003","90","","92.002","0.002","90","","5051.91","0.18","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H62.5 Cl N2 Pd -","- C56 H62.5 Cl N2 Pd -","- C224 H250 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.1041","0.0632","","","0.1596","0.18","","","","","","1.04","","","","has coordinates,has disorder","283948","2023-05-22","22:57:21",""
"7713125","13.6877","0.0003","16.4427","0.0003","16.8054","0.0004","90","","90","","90","","3782.27","0.14","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 Cl N2 Pd -","- C44 H45 Cl N2 Pd -","- C176 H180 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0661","0.0479","","","0.1048","0.1192","","","","","","1.029","","","","has coordinates","283948","2023-05-22","22:57:21",""
"7713126","8.91439","0.00018","11.5588","0.0002","13.5263","0.0003","70.3306","0.0019","83.4315","0.0017","80.1947","0.0016","1290.8","0.05","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C27 H35 Cl N2 Pd -","- C27 H35 Cl N2 Pd -","- C54 H70 Cl2 N4 Pd2 -","2","2","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0428","0.0347","","","0.0786","0.0846","","","","","","1.067","","","","has coordinates,has disorder","283948","2023-05-22","22:57:21",""
"7713127","18.4645","0.0005","10.3454","0.0003","14.2625","0.0004","90","","90","","90","","2724.46","0.13","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H29 Cl N2 Pd -","- C32 H29 Cl N2 Pd -","- C128 H116 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0715","0.0592","","","0.1676","0.1795","","","","","","1.075","","","","has coordinates","283948","2023-05-22","22:57:22",""
"7713128","11.0273","0.0002","11.7303","0.0002","17.0058","0.0002","102.281","0.001","101.43","0.001","91.467","0.001","2101.51","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44.5 Cl2 N2 Pd -","- C48 H44 Cl2 N2 Pd -","- C96 H88 Cl4 N4 Pd2 -","2","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0451","0.0379","","","0.1116","0.1193","","","","","","1.084","","","","has coordinates,has disorder","283948","2023-05-22","22:57:22",""
"7713129","17.2249","0.0003","14.0349","0.0003","18.3854","0.0004","90","","90","","90","","4444.67","0.16","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Cl N2 Pd -","- C21 H31 Cl N2 Pd -","- C168 H248 Cl8 N16 Pd8 -","8","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0478","0.0311","","","0.0654","0.0737","","","","","","1.071","","","","has coordinates","283948","2023-05-22","22:57:22",""
"7713130","21.7702","0.0006","21.957","0.0006","7.2513","0.0002","90","","90","","90","","3466.18","0.17","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C144 H192 N32 O16 -","16","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","1.54178","CuKα","","0.0354","0.0327","","","0.0778","0.0794","","","","","","1.072","","","","has coordinates","283949","2023-05-22","23:01:47",""
"7713131","16.7113","0.0006","10.8251","0.0004","15.6437","0.0006","90","","90","","90","","2829.97","0.18","110","0.1","110","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0662","0.0396","","","0.0867","0.1016","","","","","","1.056","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713132","8.7993","0.0002","9.56","0.0003","11.033","0.0004","92.371","0.002","100.401","0.002","114.782","0.002","821.64","0.05","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0587","0.0436","","","0.1061","0.1193","","","","","","1.055","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713133","19.8302","0.0012","8.1178","0.0005","18.3922","0.0012","90","","90","","90","","2960.7","0.3","110","0.1","110","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C144 H160 N16 O8 -","8","2","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0971","0.0868","","","0.221","0.234","","","","","","1.192","","","","has coordinates,has disorder","283949","2023-05-22","23:01:48",""
"7713134","12.0344","0.0013","13.1284","0.0016","12.6875","0.0015","90","","107.976","0.004","90","","1906.7","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Al N4 O2 -","- C19 H25 Al N4 O2 -","- C76 H100 Al4 N16 O8 -","4","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","0.71073","MoKα","","0.0559","0.0378","","","0.0867","0.0971","","","","","","1.038","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713135","8.7561","0.0007","10.6856","0.0007","12.8516","0.0009","90","","99.758","0.003","90","","1185.05","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Al2 N4 O2 -","- C22 H34 Al2 N4 O2 -","- C44 H68 Al4 N8 O4 -","2","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0464","0.0355","","","0.0859","0.0915","","","","","","1.063","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713136","8.2841","0.0006","10.5138","0.0008","19.9849","0.0015","89.305","0.003","80.72","0.004","82.276","0.004","1702.2","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H86 Cl3 N8 O4 Zn2 -","- C76.5 H86 Cl3 N8 O4 Zn2 -","- C76.5 H86 Cl3 N8 O4 Zn2 -","1","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","1.54178","CuKα~1~","K-L~3~","0.0716","0.0625","","","0.1573","0.1636","","","","","","1.078","","","","has coordinates,has disorder","283949","2023-05-22","23:01:48",""
"7713137","10.7763","0.0003","11.2517","0.0003","12.624","0.0003","93.987","0.002","111.862","0.001","115.434","0.001","1233.9","0.06","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N5 O2 Zn -","- C27 H31 N5 O2 Zn -","- C54 H62 N10 O4 Zn2 -","2","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0294","0.0238","","","0.0566","0.0593","","","","","","1.021","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713138","10.6168","0.0003","11.286","0.0004","11.5396","0.0004","75.743","0.002","89.755","0.002","71.855","0.002","1269.52","0.08","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N6 O2 Zn -","- C24 H36 N6 O2 Zn -","- C48 H72 N12 O4 Zn2 -","2","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0408","0.0259","","","0.0589","0.0655","","","","","","1.038","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713139","10.0934","0.0006","14.4079","0.0008","11.0432","0.0007","90","","107.793","0.002","90","","1529.14","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N6 O2 Zn2 -","- C28 H46 N6 O2 Zn2 -","- C56 H92 N12 O4 Zn4 -","2","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","0.71073","MoKα","","0.0253","0.0198","","","0.0477","0.05","","","","","","1.054","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713140","10.6976","0.0005","7.7241","0.0004","25.9622","0.0011","90","","95.4237","0.0015","90","","2135.63","0.17","115","0.1","115","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Al N4 O3 -","- C21 H29 Al N4 O3 -","- C84 H116 Al4 N16 O12 -","4","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.1115","0.0547","","","0.1125","0.1373","","","","","","1.013","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713141","9.5932","0.0007","12.3033","0.0009","24.3137","0.0019","90","","99.317","0.002","90","","2831.8","0.4","110","0","110","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N4 O2 Zn -","- C32 H34 N4 O2 Zn -","- C128 H136 N16 O8 Zn4 -","4","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0563","0.0385","","","0.0862","0.0929","","","","","","1.046","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713142","11.5025","0.0006","17.2998","0.001","11.507","0.0006","90","","107.584","0.002","90","","2182.8","0.2","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Al N4 O2 -","- C23 H29 Al N4 O2 -","- C92 H116 Al4 N16 O8 -","4","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0814","0.0465","","","0.1096","0.1292","","","","","","1.036","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713143","10.3231","0.0006","14.4461","0.0009","15.2624","0.001","90","","90","","90","","2276.1","0.2","100","0.1","100","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C22 H32 N4 O2 Zn2 -","- C22 H32 N4 O2 Zn2 -","- C88 H128 N16 O8 Zn8 -","4","0.25","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","0.71073","MoKα","","0.062","0.0331","","","0.0511","0.0579","","","","","","1.056","","","","has coordinates,has disorder","283949","2023-05-22","23:01:48",""
"7713144","13.8168","0.0015","11.5315","0.0013","11.4556","0.0011","90","","110.176","0.003","90","","1713.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O2 Zn -","- C18 H22 N4 O2 Zn -","- C72 H88 N16 O8 Zn4 -","4","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0345","0.0253","","","0.0578","0.0616","","","","","","1.086","","","","has coordinates","283949","2023-05-22","23:01:48",""
"7713145","8.5813","0.0006","9.6302","0.0007","12.5497","0.0009","97.97","0.004","99.773","0.004","102.037","0.004","983.15","0.12","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N4 O2 Zn2 -","- C46 H48 N4 O2 Zn2 -","- C46 H48 N4 O2 Zn2 -","1","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","1.54178","CuKα~1~","K-L~3~","0.142","0.1186","","","0.31","0.3283","","","","","","1.069","","","","has coordinates","283949","2023-05-22","23:01:49",""
"7713146","12.4063","0.0012","13.745","0.0012","14.0446","0.0013","110.884","0.003","110.057","0.003","104.529","0.004","1902.5","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C87 H98 Al2 N8 O4 -","- C87 H98 Al2 N8 O4 -","- C87 H98 Al2 N8 O4 -","1","0.5","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","0.71073","MoKα","","0.0858","0.0581","","","0.1339","0.1547","","","","","","1.025","","","","has coordinates,has disorder","283949","2023-05-22","23:01:49",""
"7713147","8.8891","0.0006","20.2464","0.0014","13.0252","0.0009","90","","96.208","0.002","90","","2330.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br0 Cl Cu N6 O4 S -","- C23 H19 Cl Cu N6 O4 S -","- C92 H76 Cl4 Cu4 N24 O16 S4 -","4","1","","Kartikeyan, Radhakrishnan; Murugan, Dhanashree; Ajaykamal, Tamilarasan; Varadhan, Manikandan; Rangasamy, Loganathan; Velusamy, Marappan; Palaniandavar, Mallayan; Venugopal, Rajendiran","Mixed Ligand Copper(II)-Diimine Complexes of 2-Formylpyridine-N4-Phenylthiosemicarbazone: Diimine Co-ligands Tune the in Vitro Nanomolar Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00213F","","","0.71073","MoKα","","0.0533","0.0362","","","0.079","0.0861","","","","","","1.021","","","","has coordinates","283980","2023-05-23","22:54:44",""
"7713148","14.655","0.002","27.476","0.004","13.511","0.002","90","","90","","90","","5440.3","1.4","296","2","296","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C27 H20 Cl Cu N6 O4 S -","- C27 H20 Cl Cu N6 O4 S -","- C216 H160 Cl8 Cu8 N48 O32 S8 -","8","1","","Kartikeyan, Radhakrishnan; Murugan, Dhanashree; Ajaykamal, Tamilarasan; Varadhan, Manikandan; Rangasamy, Loganathan; Velusamy, Marappan; Palaniandavar, Mallayan; Venugopal, Rajendiran","Mixed Ligand Copper(II)-Diimine Complexes of 2-Formylpyridine-N4-Phenylthiosemicarbazone: Diimine Co-ligands Tune the in Vitro Nanomolar Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00213F","","","0.71073","MoKα","","0.1247","0.0569","","","0.1427","0.1874","","","","","","1.021","","","","has coordinates","283980","2023-05-23","22:54:55",""
"7713149","13.126","0.003","13.126","0.003","15.379","0.005","90","","90","","90","","2649.7","1.2","273.15","","273.15","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- B3 Na P2 S10 -","- B3 Na P2 S10 -","- B24 Na8 P16 S80 -","8","0.5","","Huang, Yi; Chu, Dongdong; Yun, Yihan; Xie, Wenlong; Li, Guangmao; Zhang, Yong","From BPS4 to AB3P2S10 (A = Na, K): Cations Inducing Dimension Reduction and Bandgap Enlargement","Dalton Transactions","2023","","","","","10.1039/D3DT01337E","","","0.71073","MoKα","","0.0499","0.0341","","","0.0751","0.0867","","","","","","1.071","","","","has coordinates","283991","2023-05-24","22:52:35",""
"7713150","13.0262","0.0008","13.0262","0.0008","16.5387","0.0017","90","","90","","90","","2806.3","0.4","273.15","","273.15","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- B3 K P2 S10 -","- B3 K P2 S10 -","- B24 K8 P16 S80 -","8","0.5","","Huang, Yi; Chu, Dongdong; Yun, Yihan; Xie, Wenlong; Li, Guangmao; Zhang, Yong","From BPS4 to AB3P2S10 (A = Na, K): Cations Inducing Dimension Reduction and Bandgap Enlargement","Dalton Transactions","2023","","","","","10.1039/D3DT01337E","","","0.71073","MoKα","","0.071","0.0465","","","0.123","0.1391","","","","","","1.06","","","","has coordinates","283991","2023-05-24","22:52:36",""
"7713151","9.9651","0.0007","18.8124","0.0015","17.0424","0.0013","90","","93.966","0.003","90","","3187.2","0.4","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 N2 Ni O4 -","- C28 H54 N2 Ni O4 -","- C112 H216 N8 Ni4 O16 -","4","1","","Benedet, Mattia; Barreca, Davide; Fois, Ettore; Seraglia, Roberta; Tabacchi, Gloria; Roverso, Marco; Pagot, Gioele; Invernizzi, Cristiano; Gasparotto, Alberto; Heidecker, Alexandra; Pöthig, Alexander; Callone, Emanuela; Dirè, Sandra; Bogialli, Sara; Di Noto, Vito; Maccato, Chiara","Interplay between coordination sphere engineering and properties of nickel diketonate-diamine complexes as vapor phase precursors for the growth of NiO thin films","Dalton Transactions","2023","","","","","10.1039/D3DT01282D","","x-ray","0.71073","MoKα","","0.0423","0.0411","","","0.1062","0.1073","","","","","","1.036","","","","has coordinates,has disorder","283992","2023-05-24","22:53:21",""
"7713152","8.1172","0.0005","20.0104","0.0011","12.6925","0.0008","90","","91.113","0.002","90","","2061.2","0.2","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 N2 Ni O4 -","- C16 H24 F6 N2 Ni O4 -","- C64 H96 F24 N8 Ni4 O16 -","4","1","","Benedet, Mattia; Barreca, Davide; Fois, Ettore; Seraglia, Roberta; Tabacchi, Gloria; Roverso, Marco; Pagot, Gioele; Invernizzi, Cristiano; Gasparotto, Alberto; Heidecker, Alexandra; Pöthig, Alexander; Callone, Emanuela; Dirè, Sandra; Bogialli, Sara; Di Noto, Vito; Maccato, Chiara","Interplay between coordination sphere engineering and properties of nickel diketonate-diamine complexes as vapor phase precursors for the growth of NiO thin films","Dalton Transactions","2023","","","","","10.1039/D3DT01282D","","x-ray","0.71073","MoKα","","0.0304","0.0296","","","0.0701","0.0705","","","","","","1.168","","","","has coordinates,has disorder","283992","2023-05-24","22:53:21",""
"7713153","14.6386","0.0003","15.8305","0.0005","16.1766","0.0004","108.616","0.002","98.084","0.002","106.682","0.002","3289.79","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ce_Crown","","- C98 H155 Ce2 I3 O38 P6 -","- C98 H155 Ce2 I3 O38 P6 -","- C98 H155 Ce2 I3 O38 P6 -","1","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep Kumar; Rajaraman, Gopalan; Murugavel, Ramaswamy","Field-Induced SIM Behaviour in Early Lanthanide(III) Organophosphates Incorporating 18-crown-6","Dalton Transactions","2023","","","","","10.1039/D3DT01206A","","x-ray","0.71073","MoKα","","0.1013","0.0866","","","0.2264","0.2412","","","","","","1.065","","","","has coordinates,has disorder","283993","2023-05-24","22:54:24",""
"7713154","12.5932","0.0006","16.6149","0.0005","25.0246","0.0009","89.081","0.003","89.653","0.003","85.828","0.003","5221.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","1","","- C37 H62 Eu I3 O17 P2 -","- C37 H62 Eu I3 O17 P2 -","- C148 H248 Eu4 I12 O68 P8 -","4","2","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep Kumar; Rajaraman, Gopalan; Murugavel, Ramaswamy","Field-Induced SIM Behaviour in Early Lanthanide(III) Organophosphates Incorporating 18-crown-6","Dalton Transactions","2023","","","","","10.1039/D3DT01206A","","","0.71073","MoKα","","0.1557","0.1008","","","0.2028","0.241","","","","","","1.077","","","","has coordinates,has disorder","283993","2023-05-24","22:54:24",""
"7713155","14.33192","0.00019","15.041","0.0002","17.6013","0.0002","111.836","0.0012","90.642","0.001","111.769","0.0012","3221.53","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","Pr Crown","","- C100 H163 I3 O38 P6 Pr2 -","- C100 H163 I3 O38 P6 Pr2 -","- C100 H163 I3 O38 P6 Pr2 -","1","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep Kumar; Rajaraman, Gopalan; Murugavel, Ramaswamy","Field-Induced SIM Behaviour in Early Lanthanide(III) Organophosphates Incorporating 18-crown-6","Dalton Transactions","2023","","","","","10.1039/D3DT01206A","","x-ray","0.71073","MoKα","","0.0368","0.0353","","","0.0896","0.0911","","","","","","1.045","","","","has coordinates","283993","2023-05-24","22:54:24",""
"7713156","14.348","0.0008","15.8035","0.0009","17.2262","0.0008","67.693","0.005","88.567","0.004","63.094","0.006","3171.1","0.4","123","30","123","30","","","","","","","","6","P -1","-P 1","2","","","","- C97 H160 I3 Nd2 O37 P6 -","- C97 H160 I3 Nd2 O37 P6 -","- C97 H160 I3 Nd2 O37 P6 -","1","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep Kumar; Rajaraman, Gopalan; Murugavel, Ramaswamy","Field-Induced SIM Behaviour in Early Lanthanide(III) Organophosphates Incorporating 18-crown-6","Dalton Transactions","2023","","","","","10.1039/D3DT01206A","","x-ray","0.71073","MoKα","","0.0817","0.0618","","","0.1588","0.1828","","","","","","1.026","","","","has coordinates","283993","2023-05-24","22:54:24",""
"7713157","13.004","0.0008","13.2938","0.0006","15.9969","0.0008","76.591","0.004","84.307","0.005","73.542","0.005","2578.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sm","","- C37 H68 I2.38 O17 P2 Sm -","- C37 H68 I2.374 O17 P2 Sm -","- C74 H136 I4.748 O34 P4 Sm2 -","2","1","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep Kumar; Rajaraman, Gopalan; Murugavel, Ramaswamy","Field-Induced SIM Behaviour in Early Lanthanide(III) Organophosphates Incorporating 18-crown-6","Dalton Transactions","2023","","","","","10.1039/D3DT01206A","","","0.71073","MoKα","","0.0528","0.0446","","","0.1035","0.115","","","","","","1.146","","","","has coordinates,has disorder","283993","2023-05-24","22:54:24",""
"7713158","9.5701","0.0009","10.5245","0.001","10.6495","0.0008","81.949","0.003","64.876","0.003","65.1","0.003","879.89","0.14","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Eu N0.5 O10.25 -","- C17 H10.5 Eu N0.5 O10.25 -","- C34 H21 Eu2 N O20.5 -","2","1","","Yu, Xiaolin; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Guselnikova, Tatyana; Ponomareva, Valentina G.; Potapov, Andrei; Fedin, Vladimir P.","4 in 1: multifunctional europium-organic framework with luminescent sensing properties, white light emission, proton conductivity and reverse acetylene-carbon dioxide adsorption selectivity","Dalton Transactions","2023","","","","","10.1039/D3DT01323E","","x-ray","0.71073","MoKα","K-L~3~","0.0832","0.0558","","","0.1215","0.133","","","","","","0.983","","","","has coordinates,has disorder","284013","2023-05-25","23:04:40",""
"7713159","9.457","0.0005","12.5735","0.0006","13.3284","0.0007","68.196","0.002","85.911","0.002","72.52","0.002","1402.07","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 Cl2 Os P -","- C32 H37 Cl2 Os P -","- C64 H74 Cl4 Os2 P2 -","2","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0329","0.029","","","0.071","0.0726","","","","","","1.047","","","","has coordinates","284033","2023-05-26","23:15:02",""
"7713160","12.4778","0.001","13.0153","0.001","13.4334","0.001","66.41","0.003","63.882","0.003","75.842","0.004","1788.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H41 Cl4 I2 Os P -","- C34 H37 Cl3.998 I2 Os P -","- C68 H74 Cl7.996 I4 Os2 P2 -","2","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0277","0.0248","","","0.0605","0.0621","","","","","","1.034","","","","has coordinates,has disorder","284033","2023-05-26","23:15:03",""
"7713161","9.954","0.0009","12.9968","0.0012","20.614","0.0018","90","","101.834","0.002","90","","2610.2","0.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl Os P -","- C32 H36 Cl Os P -","- C128 H144 Cl4 Os4 P4 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.72931","synchrotron","","0.0729","0.0727","","","0.1942","0.1947","","","","","","1.023","","","","has coordinates,has disorder","284033","2023-05-26","23:15:03",""
"7713162","8.0291","0.0009","30.691","0.004","11.1593","0.0013","90","","97.985","0.003","90","","2723.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 I Os P -","- C32 H36 I Os P -","- C128 H144 I4 Os4 P4 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.72931","synchrotron","","0.0879","0.0879","","","0.2362","0.2362","","","","","","1.184","","","","has coordinates","284033","2023-05-26","23:15:03",""
"7713163","9.1684","0.0011","13.9992","0.0015","14.6343","0.0016","88.816","0.006","76.115","0.005","73.322","0.006","1744.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl2 I2 Os P -","- C39 H34 Cl2 I2 Os P -","- C78 H68 Cl4 I4 Os2 P2 -","2","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0369","0.0296","","","0.0621","0.0651","","","","","","1.041","","","","has coordinates,has disorder","284033","2023-05-26","23:15:03",""
"7713164","13.9947","0.0005","13.9336","0.0005","15.7966","0.0006","90","","94.909","0.002","90","","3068.98","0.19","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl2 Os P -","- C38 H33 Cl2 Os P -","- C152 H132 Cl8 Os4 P4 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0414","0.0321","","","0.0612","0.0638","","","","","","1.066","","","","has coordinates,has disorder","284033","2023-05-26","23:15:03",""
"7713165","10.387","0.0018","23.025","0.004","12.199","0.002","90","","92.165","0.011","90","","2915.4","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl Os P -","- C38 H32 Cl Os P -","- C152 H128 Cl4 Os4 P4 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0527","0.036","","","0.0774","0.0836","","","","","","1.035","","","","has coordinates","284033","2023-05-26","23:15:04",""
"7713166","8.7245","0.0004","8.5212","0.0005","39.477","0.002","90","","95.658","0.003","90","","2920.5","0.3","100","2","100.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 I P Ru -","- C38 H32 I P Ru -","- C152 H128 I4 P4 Ru4 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0669","0.0459","","","0.0889","0.0968","","","","","","1.03","","","","has coordinates","284033","2023-05-26","23:15:04",""
"7713167","10.4122","0.0002","23.0044","0.0005","12.2316","0.0003","90","","92.01","0.001","90","","2927.99","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl P Ru -","- C38 H32 Cl P Ru -","- C152 H128 Cl4 P4 Ru4 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.71073","MoKα","","0.0246","0.0218","","","0.0516","0.053","","","","","","1.04","","","","has coordinates","284033","2023-05-26","23:15:04",""
"7713168","28.07","0.004","15.561","0.002","19.32","0.003","90","","102.729","0.003","90","","8232","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H80 Cl4 F12 O2 P4 Ru2 S2 -","- C80 H76 F12 O2 P4 Ru2 S2 -","- C320 H304 F48 O8 P16 Ru8 S8 -","4","1","","Josa, Dana; Aguilà, David; Fontava, Pere; Soto-Cerrato, Vanessa; Herrera-Ramírez, Piedad; Rafols, Laia; Grabulosa, Arnald; Gamez, Patrick","Cytotoxicity of osmium(II) and cycloosmated half-sandwich complexes from 1-pyrenyl-containing phosphane ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00743J","","","0.72931","synchrotron","","0.1306","0.1179","","","0.2948","0.3069","","","","","","1.041","","","","has coordinates,has disorder","284033","2023-05-26","23:15:04",""
"7713169","13.536","0.0002","13.536","0.0002","14.9439","0.0002","90","","90","","90","","2738.07","0.07","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba11.72563 F4 Li O21 -","- B7 Ba11.726 F4 Li O21 -","- B28 Ba46.904 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Ryadun, Alexey A.; Rashchenko, Sergey V.; Davydov, Aleksey V.","LiBa12(BO3)7F4 (LBBF) crystals doped with Eu3+, Tb3+, Ce3+: structure and luminescence properties","Dalton Transactions","2023","","","","","10.1039/D3DT01279D","","x-ray","0.71073","MoKα","","0.0495","0.0204","","","0.048","0.069","","","","0.5753","0.5753","0.649","","","","has coordinates","284044","2023-05-27","22:48:52",""
"7713170","15.4686","0.0005","9.6881","0.0003","16.6109","0.0005","90","","91.521","0.003","90","","2488.45","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Ho(NO3)5]","","- C12 H22 Ho N9 O15 -","- C12 H22 Ho N9 O15 -","- C48 H88 Ho4 N36 O60 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0524","0.0499","","","0.1276","0.1326","","","","","","1.074","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713171","16.611","0.0002","9.6805","0.0002","15.5021","0.0003","90","","91.496","0.002","90","","2491.93","0.08","276","2","276","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Er(NO3)5]","","- C12 H22 Er N9 O15 -","- C12 H22 Er N9 O15 -","- C48 H88 Er4 N36 O60 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0404","0.0388","","","0.0954","0.0971","","","","","","1.092","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713172","15.503","0.0006","9.6407","0.0005","16.5976","0.0006","90","","91.417","0.004","90","","2479.91","0.18","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Lu(NO3)5]","","- C12 H22 Lu N9 O15 -","- C12 H22 Lu N9 O15 -","- C48 H88 Lu4 N36 O60 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0642","0.0629","","","0.1473","0.1493","","","","","","1.065","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713173","16.584","0.0003","9.6554","0.0002","15.4983","0.0003","90","","91.416","0.002","90","","2480.91","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Yb(NO3)5]","","- C12 H22 N9 O15 Yb -","- C12 H22 N9 O15 Yb -","- C48 H88 N36 O60 Yb4 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0434","0.0426","","","0.1067","0.1082","","","","","","1.067","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713174","16.5968","0.0004","9.6698","0.0003","15.4989","0.0004","90","","91.436","0.002","90","","2486.6","0.12","289","16","289","16","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Tm(NO3)5]","","- C12 H22 N9 O15 Tm -","- C12 H22 N9 O15 Tm -","- C48 H88 N36 O60 Tm4 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0509","0.0496","","","0.1334","0.1354","","","","","","1.052","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713175","9.2405","0.0004","10.3715","0.0004","13.121","0.0005","105.957","0.001","100.975","0.001","93.323","0.001","1178.79","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cd N6 O4 S -","- C24 H14 Cd N6 O4 S -","- C48 H28 Cd2 N12 O8 S2 -","2","1","","Cao, Xiao-Qin; Li, Qiang; Yao, Shu-Li; Cao, Lei; Chen, Yongqiang; Zhong, Li-qin; Liu, Sui-Jun","Dual-response fluorescence sensing toward H2PO4− and CO32− by AJP filter paper based on a pH-stable CdII-based luminescent metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01240A","","","0.71073","MoKα","","0.1172","0.089","","","0.217","0.2348","","","","","","1.097","","","","has coordinates","284050","2023-05-29","22:49:44",""
"7713176","19.93","0.002","23.34","0.002","22.69","0.002","90","","99.864","0.003","90","","10398.6","1.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H36 Br8 Fe N4 O -","- C56 H36 Br8 Fe N4 O -","- C448 H288 Br64 Fe8 N32 O8 -","8","1","","Sahoo, Dipankar; Mazumdar, Rakesh; Pramanik, Subhadip; Banerjee, Sayantani; Patra, Ranjan; Rath, Sankar Prasad","Modulation of iron spin states in highly distorted iron(III)porphyrin: H-bonding interactions and implications for the hemoproteins","Dalton Transactions","2023","","","","","10.1039/D3DT00846K","","","0.71073","MoKα","","0.1038","0.0471","","","0.0922","0.1126","","","","","","0.951","","","","has coordinates,has disorder","284051","2023-05-29","22:51:07",""
"7713177","14.639","0.005","16.495","0.005","21.095","0.006","90","","90","","90","","5094","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H34 Br8 Cl Fe N4 O6 -","- C52 H34 Br8 Cl Fe N4 O6 -","- C208 H136 Br32 Cl4 Fe4 N16 O24 -","4","1","","Sahoo, Dipankar; Mazumdar, Rakesh; Pramanik, Subhadip; Banerjee, Sayantani; Patra, Ranjan; Rath, Sankar Prasad","Modulation of iron spin states in highly distorted iron(III)porphyrin: H-bonding interactions and implications for the hemoproteins","Dalton Transactions","2023","","","","","10.1039/D3DT00846K","","","0.71073","MoKα","","0.0727","0.0499","","","0.0796","0.0887","","","","","","0.961","","","","has coordinates","284051","2023-05-29","22:51:07",""
"7713178","26.344","0.01","10.225","0.004","28.292","0.01","90","","115.931","0.007","90","","6854","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Br8 Cl Fe N4 O8 -","- C44 H24 Br8 Cl Fe N4 O6 -","- C176 H96 Br32 Cl4 Fe4 N16 O24 -","4","0.5","","Sahoo, Dipankar; Mazumdar, Rakesh; Pramanik, Subhadip; Banerjee, Sayantani; Patra, Ranjan; Rath, Sankar Prasad","Modulation of iron spin states in highly distorted iron(III)porphyrin: H-bonding interactions and implications for the hemoproteins","Dalton Transactions","2023","","","","","10.1039/D3DT00846K","","","0.71073","MoKα","","0.118","0.0696","","","0.1943","0.2219","","","","","","1.049","","","","has coordinates","284051","2023-05-29","22:51:07",""
"7713179","13.733","0.005","15.553","0.006","15.799","0.006","86.173","0.007","73.994","0.007","77.696","0.008","3169","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Br8 Fe N8 -","- C52 H32 Br8 Fe N8 -","- C104 H64 Br16 Fe2 N16 -","2","1","","Sahoo, Dipankar; Mazumdar, Rakesh; Pramanik, Subhadip; Banerjee, Sayantani; Patra, Ranjan; Rath, Sankar Prasad","Modulation of iron spin states in highly distorted iron(III)porphyrin: H-bonding interactions and implications for the hemoproteins","Dalton Transactions","2023","","","","","10.1039/D3DT00846K","","","0.71073","MoKα","","0.1303","0.0758","","","0.1962","0.2328","","","","","","0.961","","","","has coordinates","284051","2023-05-29","22:51:07",""
"7713180","16.8518","0.0005","13.7158","0.0004","17.8744","0.0008","90","","103.747","0.001","90","","4013.1","0.2","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","CuCl(dpaSMe)","","- C19.5 H20 Cl2 Cu N3 S -","- C19.5 H20 Cl2 Cu N3 S -","- C156 H160 Cl16 Cu8 N24 S8 -","8","1","","Griffin, Paul Joseph; Dake, Matthew J.; Remolina, Alesandro D.; Olshansky, Lisa","Conformational Dynamicity in a Copper(II) Coordination Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01213A","","","0.71073","MoKα","","0.0243","0.0218","","","0.0556","0.0571","","","","","","1.046","","","","has coordinates","284052","2023-05-29","22:52:15",""
"7713181","11.4469","0.0005","14.344","0.0007","19.0859","0.0009","69.367","0.002","88.157","0.002","73.388","0.001","2802.1","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","[CuCl(dpaSMe)]PF6","","- C20.75 H22 Cl4.5 Cu F6 N3 P S -","- C20.75 H22 Cl4.5 Cu F6 N3 P S -","- C83 H88 Cl18 Cu4 F24 N12 P4 S4 -","4","2","","Griffin, Paul Joseph; Dake, Matthew J.; Remolina, Alesandro D.; Olshansky, Lisa","Conformational Dynamicity in a Copper(II) Coordination Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01213A","","","0.71073","MoKα","","0.0633","0.0568","","","0.1587","0.1679","","","","","","1.049","","","","has coordinates,has disorder","284052","2023-05-29","22:52:15",""
"7713182","9.0079","0.0003","18.5616","0.0007","13.3009","0.0005","90","","92.255","0.001","90","","2222.2","0.14","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[CuCl(dpaSMe)]PF6","","- C19 H21 Cl Cu F6 N3 O P S -","- C19 H21 Cl Cu F6 N3 O P S -","- C76 H84 Cl4 Cu4 F24 N12 O4 P4 S4 -","4","1","","Griffin, Paul Joseph; Dake, Matthew J.; Remolina, Alesandro D.; Olshansky, Lisa","Conformational Dynamicity in a Copper(II) Coordination Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01213A","","","0.71073","MoKα","","0.0448","0.0421","","","0.1222","0.1258","","","","","","1.054","","","","has coordinates","284052","2023-05-29","22:52:16",""
"7713183","6.4642","0.0015","10.078","0.002","20.367","0.004","90","","95.559","0.007","90","","1320.6","0.5","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N6 O2 -","- C12 H15 N6 O2 -","- C48 H60 N24 O8 -","4","1","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","0.71073","MoKα","","0.0742","0.051","","","0.1084","0.1193","","","","","","1.103","","","","has coordinates","284053","2023-05-29","22:53:50",""
"7713184","12.4524","0.0007","13.4497","0.0007","14.3873","0.0006","87.143","0.002","74.376","0.002","77.281","0.002","2263.5","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 F24 Mn2 N6 O10 -","- C32 H19 F24 Mn2 N6 O10 -","- C64 H38 F48 Mn4 N12 O20 -","2","1","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","0.71073","MoKα","","0.0588","0.048","","","0.122","0.1306","","","","","","1.022","","","","has coordinates,has disorder","284053","2023-05-29","22:53:51",""
"7713185","11.1394","0.0009","12.6882","0.0011","14.9298","0.0013","92.069","0.002","100.953","0.002","108.176","0.002","1958","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H42 Cl2 Mn N12 O15 -","- C27 H42 Cl2 Mn N12 O15 -","- C54 H84 Cl4 Mn2 N24 O30 -","2","1","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","0.71073","MoKα","","0.0542","0.0447","","","0.1232","0.1301","","","","","","1.057","","","","has coordinates,has disorder","284053","2023-05-29","22:53:51",""
"7713186","9.5397","0.0014","12.2112","0.0018","15.954","0.003","68.656","0.006","72.82","0.005","69.263","0.004","1589","0.5","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 Cl2 Co F12 N6 O6 -","- C23 H19 Cl2 Co F12 N6 O6 -","- C46 H38 Cl4 Co2 F24 N12 O12 -","2","1","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","1.34139","GaKα","","0.0587","0.0571","","","0.1569","0.1586","","","","","","1.051","","","","has coordinates,has disorder","284053","2023-05-29","22:53:51",""
"7713187","12.2502","0.0003","13.434","0.0004","14.599","0.0005","88.848","0.001","73.791","0.001","75.965","0.001","2235.25","0.12","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 Co2 F24 N6 O10 -","- C32 H19 Co2 F24 N6 O10 -","- C64 H38 Co4 F48 N12 O20 -","2","1","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","0.71073","MoKα","","0.0537","0.0448","","","0.122","0.1303","","","","","","1.032","","","","has coordinates,has disorder","284053","2023-05-29","22:53:51",""
"7713188","9.54","0.0004","12.2077","0.0005","16.3666","0.0006","68.502","0.001","74.357","0.002","69.152","0.002","1635.98","0.12","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 Cl2 F12 Mn N6 O6 -","- C23 H19 Cl2 F12 Mn N6 O6 -","- C46 H38 Cl4 F24 Mn2 N12 O12 -","2","1","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","0.71073","MoKα","","0.0734","0.06","","","0.1567","0.1681","","","","","","1.04","","","","has coordinates,has disorder","284053","2023-05-29","22:53:51",""
"7713189","18.7524","0.001","18.2753","0.001","12.4972","0.0006","90","","106.946","0.002","90","","4096.9","0.4","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Cl4 Co2 N24 O32 -","- C56 H92 Cl4 Co2 N24 O32 -","- C112 H184 Cl8 Co4 N48 O64 -","2","0.5","","Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01277H","","","0.71073","MoKα","","0.0542","0.0434","","","0.1176","0.126","","","","","","1.028","","","","has coordinates,has disorder","284053","2023-05-29","22:53:51",""
"7713190","10.7124","0.0004","21.0705","0.0009","12.0672","0.0004","90","","99.579","0.004","90","","2685.78","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Co N5 O6 -","- C28 H25 Co N5 O6 -","- C112 H100 Co4 N20 O24 -","4","1","","Mondal, Partha Pratim Pratim; Seal, Nilanjan; Singh, Manpreet; Neogi, Subhadip","Carboxamide functionality grafted entangled Co(II) framework as unique hydrogen-bond-donor catalyst in solvent-free tandem deacetalization-Knoevenagel condensation with pore-fitting-mediated size-selectivity","Dalton Transactions","2023","","","","","10.1039/D3DT01053H","","","0.71073","MoKα","","0.0566","0.0497","","","0.129","0.1382","","","","","","1.0528","","","","has coordinates,has disorder","284054","2023-05-29","22:54:51",""
"7713191","5.6152","0.0007","9.495","0.0012","16.967","0.002","98.2544","0.0019","96.116","0.002","100.272","0.002","872.75","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Eu O11 P2 -","- C14 H13 Eu O11 P2 -","- C28 H26 Eu2 O22 P4 -","2","1","","Luo, Dan; He, Hongjie; Jing, Huiru; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Deng, Mingli","Nanosheets of two-dimensional photoluminescent Lanthanide phosphonocarboxylate frameworks decorated with free carboxylic groups for latent fingerprint imaging","Dalton Transactions","2023","","","","","10.1039/D3DT01173A","","","0.71073","MoKα","","0.0361","0.0308","","","0.084","0.0953","","","","","","0.745","","","","has coordinates","284055","2023-05-29","22:55:13",""
"7713192","9.3433","0.0003","9.3433","0.0003","9.3433","0.0003","90","","90","","90","","815.64","0.05","623","2","623","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Al Cs3 F6 -","- Al Cs3 F6 -","- Al4 Cs12 F24 -","4","0.0208333","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.41328","synchrotron","","0.0679","0.0527","","","0.1489","0.1579","","","","","","1.148","","","","has coordinates","284075","2023-05-30","22:56:17",""
"7713193","11.2739","0.0002","19.5018","0.0004","11.3248","0.0002","90","","109.641","0.001","90","","2345.02","0.08","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al Cs3 F6 -","- Al Cs3 F6 -","- Al12 Cs36 F72 -","12","1.5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.71073","MoKα","","0.0273","0.0244","","","0.0586","0.0619","","","","","","1.166","","","","has coordinates","284075","2023-05-30","22:56:17",""
"7713194","19.7947","0.0004","19.7947","0.0004","35.7471","0.0008","90","","90","","90","","14006.8","0.5","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","Rb3GaF6","","","- F6 Ga Rb3 -","- F6 Ga Rb3 -","- F480 Ga80 Rb240 -","80","5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","","","","","","","","","","","","","","","","","","","has coordinates","284075","2023-05-30","22:56:17",""
"7713195","9.3232","0.0002","9.3232","0.0002","9.3232","0.0002","90","","90","","90","","810.39","0.03","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Fm-3m","","","- Al Cs3 F6 -","- Al Cs3 F6 -","- Al4 Cs12 F24 -","4","0.0208333","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","","","","","","","","","","","","","","","","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713196","9.4478","0.0003","9.4478","0.0003","9.4478","0.0003","90","","90","","90","","843.32","0.05","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Fm-3m","","","- Cs3 F6 Ga -","- Cs3 F6 Ga -","- Cs12 F24 Ga4 -","4","0.0208333","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","","","","","","","","","","","","","","","","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713197","11.396","0.006","19.76","0.011","11.453","0.006","90","","109.72","0.02","90","","2428","2","301","2","301","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cs3 F6 Ga -","- Cs3 F6 Ga -","- Cs36 F72 Ga12 -","12","1.5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.71073","MoKα","","0.0337","0.0278","","","0.0629","0.0675","","","","","","1.154","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713198","12.4412","0.0011","17.6466","0.0016","37.201","0.004","90","","90","","90","","8167.3","1.4","299","2","299.37","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Al F6 Rb3 -","- Al F6 Rb3 -","- Al48 F288 Rb144 -","48","1.5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.71073","MoKα","","0.0306","0.0252","","","0.0612","0.0643","","","","","","1.069","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713199","11.3996","0.0003","19.7132","0.0004","11.4551","0.0004","90","","109.7","0.001","90","","2423.55","0.12","300","2","299.94","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cs3 F6 Ga -","- Cs3 F6.001 Ga -","- Cs36 F72.012 Ga12 -","12","1.5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.71073","MoKα","","0.0307","0.0281","","","0.0685","0.0717","","","","","","1.16","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713200","13.0311","0.0006","18.4837","0.0009","39.024","0.0018","90","","90","","90","","9399.4","0.8","300","2","300.09","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Al Cs3 F6 -","- Al Cs3 F6 -","- Al48 Cs144 F288 -","48","1.5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0542","0.0565","","","","","","1.122","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713201","13.1762","0.0008","18.7515","0.0012","39.488","0.003","90","","90","","90","","9756.4","1.1","299","2","299.26","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Cs3 F6 Ga -","- Cs3 F6 Ga -","- Cs144 F288 Ga48 -","48","1.5","","Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad","Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes","Dalton Transactions","2023","","","","","10.1039/D3DT00352C","","","0.71073","MoKα","","0.032","0.0264","","","0.0587","0.0626","","","","","","1.104","","","","has coordinates","284075","2023-05-30","22:56:18",""
"7713202","40.097","0.008","42.347","0.009","27.54","0.006","90","","90","","90","","46763","17","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C376 H394.942 Cl16 Co8 F1.46 N72 O54.09 P1.46 -","- C338.28 H258.94 Cl11.625 Co8 F1.462 N72 O16.106 P1.462 -","- C1353.12 H1035.76 Cl46.5 Co32 F5.848 N288 O64.424 P5.848 -","4","0.5","","Dorrat, Jack C.; Young, Rosemary J.; Taylor, Christopher; Tipping, Max B.; Blok, Andrew James; Turner, David Roger; McKay, Alasdair I.; Ovenden, Simon; Ward, Michael D.; Dennison, Genevieve Helen; Tuck, Kellie","The preservation of sarin and O,O’-diisopropyl fluorophosphate inside coordination cage hosts","Dalton Transactions","2023","","","","","10.1039/D3DT01378B","","","0.71073","Synchrotron","","0.1557","0.1337","","","0.4398","0.4733","","","","","","1.07","","","","has coordinates,has disorder","284076","2023-05-30","22:57:32",""
"7713203","21.7872","0.0003","21.7872","0.0003","21.7872","0.0003","90","","90","","90","","10342","0.2","273","2","273","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C20.98 H18.31 Ge0.33 Ni0.33 P -","- C20.98 H17.98 Ge0.333333 Ni0.333333 P -","- C503.52 H431.52 Ge8 Ni8 P24 -","24","1","","Barrios-Vargas, Luz Jimena; Abeynayake, Niroshani Samitri; Secrist, Carlee; Le, Nghia; Webster, Charles Edwin; Donnadieu, Bruno; Kaphan, David M.; Roy, Amitava; Ibarra, Ilich A.; Montiel-Palma, Virginia","Homogeneous versus MOF-supported catalysis: A direct comparison of catalytic hydroboration at Ni tripodal P3E (E = Si, Ge) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01328F","","","1.54178","CuKα","","0.0607","0.052","","","0.1269","0.1337","","","","","","1.149","","","","has coordinates,has disorder","284077","2023-05-30","22:58:23",""
"7713204","21.7616","0.0002","21.7616","0.0002","21.7616","0.0002","90","","90","","90","","10305.6","0.16","100","2","100","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C20.5 H17.5 Ni0.33 P Si0.33 -","- C20.5 H17.5 Ni0.333333 P Si0.333333 -","- C492 H420 Ni8 P24 Si8 -","24","1","","Barrios-Vargas, Luz Jimena; Abeynayake, Niroshani Samitri; Secrist, Carlee; Le, Nghia; Webster, Charles Edwin; Donnadieu, Bruno; Kaphan, David M.; Roy, Amitava; Ibarra, Ilich A.; Montiel-Palma, Virginia","Homogeneous versus MOF-supported catalysis: A direct comparison of catalytic hydroboration at Ni tripodal P3E (E = Si, Ge) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01328F","","","1.54178","CuKα","","0.0619","0.0519","","","0.1353","0.1432","","","","","","1.113","","","","has coordinates,has disorder","284077","2023-05-30","22:58:24",""
"7713205","8.0466","0.0002","7.6224","0.0002","11.8986","0.0003","90","","106.668","0.003","90","","699.13","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O P -","- C15 H18 N O P -","- C30 H36 N2 O2 P2 -","2","1","","Wang, Jian-Ge; Liu, Yang; Liu, Chun-Mei; Chen, Jing-Huo; Yang, Guang","An efficient mixed-valence copper pyrazolate catalyst for the conversion of carbon dioxide and epoxides into cyclic carbonates","Dalton Transactions","2023","","","","","10.1039/D3DT00844D","","","0.71073","MoKα","","0.0276","0.025","","","0.0684","0.069","","","","","","1.084","","","","has coordinates","284078","2023-05-30","22:59:04",""
"7713206","10.5699","0.0008","14.0271","0.0009","14.9724","0.0008","70.93","0.005","80.498","0.005","84.925","0.005","2067.9","0.2","120","10","120","10","","","","","","","","5","P -1","-P 1","2","","","","- C47 H33 Cl3 Cu3 N7 -","- C47 H33 Cl3 Cu3 N7 -","- C94 H66 Cl6 Cu6 N14 -","2","1","","Wang, Jian-Ge; Liu, Yang; Liu, Chun-Mei; Chen, Jing-Huo; Yang, Guang","An efficient mixed-valence copper pyrazolate catalyst for the conversion of carbon dioxide and epoxides into cyclic carbonates","Dalton Transactions","2023","","","","","10.1039/D3DT00844D","","x-ray","0.71073","MoKα","","0.0415","0.0337","","","0.0743","0.0791","","","","","","1.019","","","","has coordinates","284078","2023-05-30","22:59:04",""
"7713207","19.484","0.005","19.619","0.005","19.74","0.004","109.682","0.009","93.416","0.009","92.743","0.01","7074","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- As6 Cs8 Gd6 K28 O246 W54 -","- As6 Cs8 Gd6 K28 O250 W54 -","- As6 Cs8 Gd6 K28 O250 W54 -","1","0.5","","Kapurwan, Sandhya; Sahu, Pradip Kumar Kumar; Raizada, Mukul; Kharel, Ranjan; Konar, Sanjit","[α-AsW9O33]9- bridged hexagonal cluster of Ln (III) showing field induced SMM behavior: an experimental and theoretical insight","Dalton Transactions","2023","","","","","10.1039/D3DT00406F","","","0.71073","MoKα","","0.0695","0.0531","","","0.1461","0.1516","","","","","","1.077","","","","has coordinates","284079","2023-05-30","23:00:07",""
"7713208","23.461","0.002","23.461","0.002","14.73","0.002","90","","90","","120","","7021.4","1.3","120","2","120","","","","","","","","","6","P -3","-P 3","147","","","","- As6 Cs15 K21 O216 Tb6 W54 -","- As6 Cs15 K20.9998 O216 Tb6 W54 -","- As6 Cs15 K20.9998 O216 Tb6 W54 -","1","0.166667","","Kapurwan, Sandhya; Sahu, Pradip Kumar Kumar; Raizada, Mukul; Kharel, Ranjan; Konar, Sanjit","[α-AsW9O33]9- bridged hexagonal cluster of Ln (III) showing field induced SMM behavior: an experimental and theoretical insight","Dalton Transactions","2023","","","","","10.1039/D3DT00406F","","","0.71073","MoKα","","0.1501","0.0849","","","0.1993","0.2624","","","","","","1.091","","","","has coordinates,has disorder","284079","2023-05-30","23:00:08",""
"7713209","18.891","0.003","19.724","0.003","21.788","0.004","68.133","0.006","87.425","0.007","64.508","0.006","6736","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- As6 Cs12 Ho6 K24 O238 W54 -","- As6 Cs12 Ho6 K24 O238 W54 -","- As6 Cs12 Ho6 K24 O238 W54 -","1","0.5","","Kapurwan, Sandhya; Sahu, Pradip Kumar Kumar; Raizada, Mukul; Kharel, Ranjan; Konar, Sanjit","[α-AsW9O33]9- bridged hexagonal cluster of Ln (III) showing field induced SMM behavior: an experimental and theoretical insight","Dalton Transactions","2023","","","","","10.1039/D3DT00406F","","","0.71073","MoKα","","0.0995","0.0638","","","0.1502","0.1745","","","","","","1.103","","","","has coordinates","284079","2023-05-30","23:00:08",""
"7713210","23.078","0.005","23.525","0.005","27.05","0.012","90","","106.21","0.03","90","","14102","8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H62 Co3 N7 O17.5 -","- C56 H36 Co3 N4 O12 -","- C448 H288 Co24 N32 O96 -","8","1","","Wang, Shan-Shan; Liang, Yu-Jie; Guo, Wei; Yin, Yue; Li, Xiao-Yu; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","A 2D flexible cobalt-MOF: reversible solid-state structural transformation, two-step and gate-opening adsorption behaviour and selective adsorption of C2H2 over CO2 and CH4","Dalton Transactions","2023","","","","","10.1039/D3DT00478C","","","0.71073","MoKα","","0.1104","0.0913","","","0.2501","0.2649","","","","","","1.048","","","","has coordinates,has disorder","284080","2023-05-30","23:00:54",""
"7713211","22.3119","0.0018","24.2649","0.0011","22.5563","0.0015","90","","103.654","0.006","90","","11866.8","1.4","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H36 Co3 N4 O12 -","- C56 H36 Co3 N4 O12 -","- C448 H288 Co24 N32 O96 -","8","1","","Wang, Shan-Shan; Liang, Yu-Jie; Guo, Wei; Yin, Yue; Li, Xiao-Yu; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","A 2D flexible cobalt-MOF: reversible solid-state structural transformation, two-step and gate-opening adsorption behaviour and selective adsorption of C2H2 over CO2 and CH4","Dalton Transactions","2023","","","","","10.1039/D3DT00478C","","","1.54178","CuKα","","0.2276","0.2126","","","0.4746","0.4801","","","","","","1.079","","","","has coordinates,has disorder","284080","2023-05-30","23:00:54",""
"7713212","12.0452","0.0007","14.2181","0.0007","18.0667","0.0011","104.144","0.005","98.797","0.005","94.93","0.004","2940.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 N34 O20 Zn7 -","- C62 H52 N34 O20 Zn7 -","- C62 H52 N34 O20 Zn7 -","1","0.5","","Eskemech, Alehegn; Gambhir, Diksha; Kaur, Harpreet; Karmakar, Anirban; Koner, Rik Rani","Amino decorated adenine based metal-organic framework for multi-faceted applications.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00473b","","","1.54184","CuKα","","0.044","0.038","","","0.1048","0.1108","","","","","","1.03","","","","has coordinates,has disorder","284103","2023-05-31","22:50:40",""
"7713213","11.2497","0.001","15.9458","0.0014","12.329","0.0009","90","","99.129","0.003","90","","2183.6","0.3","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N3 O4 P -","- C23 H26 N3 O4 P -","- C92 H104 N12 O16 P4 -","4","1","","Maier, Sarah E.; Bunjaku, Osman; Kaya, Elif; Dyballa, Michael; Frey, Wolfgang; Estes, Deven","Surface Immobilized Cu-1,10-Phenanthroline Complexes with α-Aminophosphonate Groups in the 5-Position as Heterogenous Catalysts for Efficient Atom-Transfer Radical Cyclizations","Dalton Transactions","2023","","","","","10.1039/D3DT01467C","","","0.71073","MoKα","","0.0889","0.053","","","0.1351","0.1495","","","","","","1.045","","","","has coordinates","284104","2023-05-31","22:51:00",""
"7713214","3.7982","0.0003","25.3702","0.0015","12.2141","0.0007","90","","91.171","0.004","90","","1176.72","0.13","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","123","","- C6 H11 N11 O3 -","- C6 H11 N11 O3 -","- C24 H44 N44 O12 -","4","1","","Yin, Zhaoyang; Hu, Lijincao; Huang, Wei; Liu, Yuji; Tang, Yongxing","Triazole-Induced Planarization of A Twisted Tetrazole-based Molecule towards Energetic Materials With Improved Thermostability and Insensitivity","Dalton Transactions","2023","","","","","10.1039/D3DT01416A","","","1.54178","CuKα","","0.1106","0.094","","","0.2577","0.2714","","","","","","1.09","","","","has coordinates,has disorder","284105","2023-05-31","22:51:31",""
"7713215","3.6637","0.0001","24.878","0.0005","12.5043","0.0003","90","","93.182","0.001","90","","1137.95","0.05","193","","193","","","","","","","","","4","C 1 c 1","C -2yc","9","","123","","- C3 H12 N12 O5 -","- C3 H12 N12 O5 -","- C12 H48 N48 O20 -","4","1","","Yin, Zhaoyang; Hu, Lijincao; Huang, Wei; Liu, Yuji; Tang, Yongxing","Triazole-Induced Planarization of A Twisted Tetrazole-based Molecule towards Energetic Materials With Improved Thermostability and Insensitivity","Dalton Transactions","2023","","","","","10.1039/D3DT01416A","","","1.54184","CuKα","","0.0248","0.0243","","","0.0592","0.0597","","","","","","1.091","","","","has coordinates","284105","2023-05-31","22:51:31",""
"7713216","14.6909","0.0013","17.0539","0.0014","17.9179","0.0016","114.646","0.003","100.541","0.003","104.702","0.003","3727.6","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H57 B F24 N P2 Rh Si -","- C80 H56 B F24 N P2 Rh Si -","- C160 H112 B2 F48 N2 P4 Rh2 Si2 -","2","1","","Prieto-Pascual, Unai; Martínez de Morentin, Aitor; Choquesillo-Lazarte, Duane; Rodríguez Diéguez, Antonio; Freixa, Zoraida; Huertos, Miguel A. A.","Catalytic Activation of Remote Alkenes through Silyl-Rhodium(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00624G","","","0.71073","MoKα","","0.0851","0.0569","","","0.1433","0.1611","","","","","","1.034","","","","has coordinates,has disorder","284106","2023-05-31","22:52:16",""
"7713217","9.8377","0.0003","9.9596","0.0003","13.8627","0.0004","87.968","0.003","77.527","0.003","86.993","0.003","1323.97","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cl N P Rh Si -","- C30 H30 Cl N P Rh Si -","- C60 H60 Cl2 N2 P2 Rh2 Si2 -","2","1","","Prieto-Pascual, Unai; Martínez de Morentin, Aitor; Choquesillo-Lazarte, Duane; Rodríguez Diéguez, Antonio; Freixa, Zoraida; Huertos, Miguel A. A.","Catalytic Activation of Remote Alkenes through Silyl-Rhodium(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00624G","","x-ray","0.71073","MoKα","","0.0384","0.031","","","0.0697","0.0723","","","","","","1.076","","","","has coordinates","284106","2023-05-31","22:52:17",""
"7713218","11.9363","0.0009","8.2215","0.0005","10.1229","0.0007","90","","96.017","0.007","90","","987.93","0.12","296.3","0.3","296.3","0.3","","","","","","","","4","P 1 c 1","P -2yc","7","[Eu2(C4O4)3(H2O)8]n","europium(III) squarate","","- C12 H16 Eu2 O20 -","- C12 H16 Eu2 O20 -","- C24 H32 Eu4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0453","0.0377","","","0.106","0.1112","","","","","","1.059","","","","has coordinates","284139","2023-06-01","22:57:49",""
"7713219","11.9168","0.0004","8.1217","0.0002","9.9844","0.0003","90","","95.823","0.003","90","","961.35","0.05","297.95","0.1","297.95","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","[Yb2(C4O4)3(H2O)8]n","ytterbium(III) squarate","","- C12 H16 O20 Yb2 -","- C12 H16 O20 Yb2 -","- C24 H32 O40 Yb4 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0266","0.023","","","0.0587","0.0607","","","","","","1.036","","","","has coordinates","284139","2023-06-01","22:57:49",""
"7713220","11.9232","0.0004","8.1407","0.0002","10.0025","0.0003","90","","95.988","0.003","90","","965.58","0.05","297.8","0.4","297.8","0.4","","","","","","","","4","P 1 c 1","P -2yc","7","[Er2(C4O4)3(H2O)8]n","erbium(III) squarate","","- C12 H16 Er2 O20 -","- C12 H16 Er2 O20 -","- C24 H32 Er4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0247","0.0215","","","0.0513","0.0537","","","","","","1.055","","","","has coordinates","284139","2023-06-01","22:57:49",""
"7713221","11.9063","0.0008","8.1711","0.0005","10.0452","0.0006","90","","95.934","0.006","90","","972.04","0.11","295.5","0.2","295.5","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","[Dy2(C4O4)3(H2O)8]n","dysprosium(III) squarate","","- C12 H16 Dy2 O20 -","- C12 H16 Dy2 O20 -","- C24 H32 Dy4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0389","0.0305","","","0.0787","0.0848","","","","","","1.025","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713222","11.9195","0.0007","8.1486","0.0005","10.0126","0.0006","90","","95.907","0.006","90","","967.33","0.1","295.3","0.3","295.3","0.3","","","","","","","","4","P 1 c 1","P -2yc","7","[Ho2(C4O4)3(H2O)8]n","holmium(III) squarate","","- C12 H16 Ho2 O20 -","- C12 H16 Ho2 O20 -","- C24 H32 Ho4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0224","0.0195","","","0.0478","0.0496","","","","","","1.007","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713223","11.924","0.0004","8.1318","0.0002","9.9899","0.0004","90","","95.876","0.003","90","","963.57","0.06","295.8","0.2","295.8","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","[Tm2(C4O4)3(H2O)8]n","thulium(III) squarate","","- C12 H16 O20 Tm2 -","- C12 H16 O20 Tm2 -","- C24 H32 O40 Tm4 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0208","0.0182","","","0.0527","0.0546","","","","","","1.062","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713224","11.9151","0.0005","8.1066","0.0003","9.9577","0.0004","90","","95.748","0.004","90","","956.99","0.07","297.95","0.1","297.95","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","[Lu2(C4O4)3(H2O)8]n","lutetium(III) squarate","","- C12 H16 Lu2 O20 -","- C12 H16 Lu2 O20 -","- C24 H32 Lu4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.034","0.0281","","","0.0793","0.0847","","","","","","1.016","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713225","11.9359","0.0007","8.1994","0.0004","10.0894","0.0005","90","","95.928","0.005","90","","982.14","0.09","295.4","0.14","295.4","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","[Gd2(C4O4)3(H2O)8]n","gadolinium(III) squarate","","- C12 H16 Gd2 O20 -","- C12 H16 Gd2 O20 -","- C24 H32 Gd4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0277","0.0234","","","0.0539","0.0565","","","","","","1.035","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713226","9.6666","0.0004","14.8989","0.0006","18.1683","0.0008","90","","99.913","0.001","90","","2577.56","0.19","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 F6 Fe N5 O6 S2 -","- C19 H29 F6 Fe N5 O6 S2 -","- C76 H116 F24 Fe4 N20 O24 S8 -","4","1","","Rebilly, Jean-Noël; Herrero, Christian; Sénéchal-David, Katell; Guillot, Régis; Banse, Frédéric","Catalytic oxidation properties of an acid-resistant cross-bridged cyclen Fe(II) complex. Influence of the rigid donor backbone and protonation on the reactivity.","Dalton Transactions","2023","","","","","10.1039/D3DT00393K","","","1.54178","CuKα","","0.0298","0.0283","","","0.0653","0.0665","","","","","","1.067","","","","has coordinates","284140","2023-06-01","22:58:56",""
"7713227","19.0222","0.0009","12.1505","0.0006","12.1044","0.0005","90","","100.596","0.002","90","","2750","0.2","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F6 Fe N5 O7 S2 -","- C20 H32 F6 Fe N5 O7 S2 -","- C80 H128 F24 Fe4 N20 O28 S8 -","4","1","","Rebilly, Jean-Noël; Herrero, Christian; Sénéchal-David, Katell; Guillot, Régis; Banse, Frédéric","Catalytic oxidation properties of an acid-resistant cross-bridged cyclen Fe(II) complex. Influence of the rigid donor backbone and protonation on the reactivity.","Dalton Transactions","2023","","","","","10.1039/D3DT00393K","","x-ray","0.71073","MoKα","","0.1439","0.0743","","","0.2017","0.2354","","","","","","1.061","","","","has coordinates","284140","2023-06-01","22:58:57",""
"7713228","46.762","0.003","12.8284","0.0009","29.674","0.002","90","","121.786","0.002","90","","15131.1","1.8","296","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H114 Cd Cl2 N28 O75 V30 -","- C98 H114 Cd Cl2 N28 O75 V30 -","- C392 H456 Cd4 Cl8 N112 O300 V120 -","4","0.5","","Tian, Hongrui; Li, Runhan; Miao, Jun; Liu, Shuxia; Wang, Fengfeng; Zheng, Zhiping","Additive-free selective oxidation of aromatic alcohols with molecular oxygen catalyzed by a mixed-valence polyoxovanadate-based metal–organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01403G","","","0.71073","MoKα","","0.0982","0.0482","","","0.099","0.1188","","","","","","1.011","","","","has coordinates,has disorder","284141","2023-06-01","22:59:30",""
"7713229","24.22","0.002","13.392","0.0016","13.6129","0.0014","90","","97.699","0.004","90","","4375.6","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba14 Sb8 Si4 Te35 -","- Ba14 Sb8 Si4 Te35 -","- Ba28 Sb16 Si8 Te70 -","2","0.5","","Jana, Subhendu; Yadav, Sweta; Swati, ?; Niranjan, Manish K.; Prakash, Jai","Ba<sub>14</sub>Si<sub>4</sub>Sb<sub>8</sub>Te<sub>32</sub>(Te<sub>3</sub>): hypervalent Te in a new structure type with low thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01532g","","","0.71073","MoKα","","0.0609","0.0348","","","0.0743","0.0783","","","","","","1.058","","","","has coordinates","284600","2023-06-29","10:36:31",""
"7713230","14.206","0.0014","15.9573","0.0016","23.367","0.002","75.121","0.001","87.336","0.001","68.501","0.001","4756.6","0.8","296","2","296","2","","","","","","","","10","P -1","-P 1","2","","","","- C44 H139 Co4 Fe6 K2 N28 Na2 O167.5 P4 W32 -","- C44 H60 Co4.0002 Fe5.9998 K2 N28 Na2 O167.5 P4 W32 -","- C44 H60 Co4.0002 Fe5.9998 K2 N28 Na2 O167.5 P4 W32 -","1","0.5","","Zhou, Jiu-Lin; Xiang, Xin-Ying; Xu, Ling-Tong; Wang, Ji-Lei; Li, Si-Man; Yu, Ya-Ting; Mei, Hua; Xu, Yan","Two bimetal-doped (Fe/Co, Mn) polyoxometalate-based hybrid compounds for visible-light-driven CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01296d","","","0.71073","MoKα","","0.0613","0.0446","","","0.1112","0.1208","","","","","","1.025","","","","has coordinates,has disorder","284601","2023-06-29","10:37:09",""
"7713231","14.259","0.004","16.083","0.005","23.594","0.007","75.142","0.004","87.658","0.004","68.882","0.004","4871","3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H148 Fe6 Mn4 N28 Na4 O172 P4 W32 -","- C44 H60 Fe5.9998 Mn4.0002 N28 Na4 O172 P4 W32 -","- C44 H60 Fe5.9998 Mn4.0002 N28 Na4 O172 P4 W32 -","1","0.5","","Zhou, Jiu-Lin; Xiang, Xin-Ying; Xu, Ling-Tong; Wang, Ji-Lei; Li, Si-Man; Yu, Ya-Ting; Mei, Hua; Xu, Yan","Two bimetal-doped (Fe/Co, Mn) polyoxometalate-based hybrid compounds for visible-light-driven CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01296d","","","0.71073","MoKα","","0.081","0.0546","","","0.1408","0.1558","","","","","","1.188","","","","has coordinates,has disorder","284601","2023-06-29","10:37:09",""
"7713232","27.0491","0.0003","29.5409","0.0003","34.5184","0.0004","90","","111.684","0.001","90","","25630.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C266 H148 Ag8 F97 P4 Rh4 -","- C266 H148 Ag8 F97 P4 Rh4 -","- C1064 H592 Ag32 F388 P16 Rh16 -","4","1","","Chen, Leyi; Sun, Fang; Shen, Quanli; Wang, Lei; Liu, Yonggang; Fan, Hao; Tang, Qing; Tang, Zhenghua","Structure, optical properties, and catalytic applications of alkynyl-protected M<sub>4</sub>Rh<sub>2</sub> (M = Ag/Au) nanoclusters with atomic precision: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01326j","","x-ray","1.54178","CuKα","","0.1053","0.073","","","0.1707","0.1984","","","","","","1.032","","","","has coordinates,has disorder","284602","2023-06-29","10:38:14",""
"7713233","17.16177","0.00018","17.24053","0.00019","24.4066","0.0002","90.3557","0.0008","103.844","0.0008","115.402","0.001","6284.74","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C137 H78 Au4 F48 P2 Rh2 -","- C137 H78 Au4 F48 P2 Rh2 -","- C274 H156 Au8 F96 P4 Rh4 -","2","1","","Chen, Leyi; Sun, Fang; Shen, Quanli; Wang, Lei; Liu, Yonggang; Fan, Hao; Tang, Qing; Tang, Zhenghua","Structure, optical properties, and catalytic applications of alkynyl-protected M<sub>4</sub>Rh<sub>2</sub> (M = Ag/Au) nanoclusters with atomic precision: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01326j","","","0.71073","MoKα","","0.0604","0.0378","","","0.0868","0.0951","","","","","","1.033","","","","has coordinates,has disorder","284602","2023-06-29","10:38:17",""
"7713234","9.3476","0.0007","10.4026","0.0007","15.774","0.0011","76.878","0.002","78.518","0.002","89.593","0.002","1462.74","0.18","173","2","173.15","","","","","","","","","6","P 1","P 1","1","","1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis-(propan-2-ol)cobalt(II) dichloride 1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis-(propan-2-ol)cobalt(II)tetrachloridocobaltate dihydrate monoacetonitrile solvate","","- C42 H94.38 Cl6 Co3 N9 O9.69 -","- C42 H94.38 Cl6 Co3 N9 O9.69 -","- C42 H94.38 Cl6 Co3 N9 O9.69 -","1","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.075","0.0353","","","0.0634","0.0719","","","","","","1.036","","","","has coordinates,has disorder","284603","2023-06-29","10:39:24",""
"7713235","10.8","0.0009","13.739","0.0014","15.4056","0.0015","90","","90","","90","","2285.9","0.4","173","2","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,1?-(1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(propan-2-ol)cobalt(II) tetrachloridocobaltate","","- C14 H32 Cl4 Co2 N4 O2 -","- C14 H32 Cl4 Co2 N4 O2 -","- C56 H128 Cl16 Co8 N16 O8 -","4","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.0572","0.0311","","","0.0516","0.0569","","","","","","1.071","","","","has coordinates","284603","2023-06-29","10:39:24",""
"7713236","10.9214","0.0007","22.7525","0.0013","14.3494","0.0009","90","","96.926","0.002","90","","3539.7","0.4","113.65","","113.65","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Cl2 Co N6 O8 -","- C28 H54 Cl2 Co N6 O8 -","- C112 H216 Cl8 Co4 N24 O32 -","4","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.0413","0.0334","","","0.0815","0.0864","","","","","","1.057","","","","has coordinates,has disorder","284603","2023-06-29","10:39:25",""
"7713237","16.8813","0.0008","18.4751","0.0009","20.4087","0.001","90","","90","","90","","6365.1","0.5","173","2","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,2'-[4,10-bis(2-hydroxypropyl)-1,4,7,10-tetraazadodecanane-1,7-diyl]diacetamide)cobalt(II) tetrachloridocobaltate monohydrate mono(acetonitrile) solvate","","- C40 H86 Cl8 Co4 N14 O10 -","- C40 H86 Cl8 Co4 N14 O10 -","- C160 H344 Cl32 Co16 N56 O40 -","4","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.0505","0.0352","","","0.0799","0.0882","","","","","","1.034","","","","has coordinates,has disorder","284603","2023-06-29","10:39:25",""
"7713238","23.9295","0.0012","52.455","0.003","10.7669","0.0006","90","","90","","90","","13514.8","1.3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","Inorganic","","","- C37 H36 N3 O3 P Pd -","- C37 H36 N3 O3 P Pd -","- C592 H576 N48 O48 P16 Pd16 -","16","1","","Sekar, Pranesh Kavin; Rengan, Ramesh","Synthesis and Structure of Pd(II) Pincer Complexes: Catalytic Application to β-Alkylation of Secondary Alcohols Involving Sequential Dehydrogenation of Alcohols via Borrowing Hydrogen Approach","Dalton Transactions","2023","","","","","10.1039/D3DT01628E","","","0.71073","MoKα","","0.0541","0.034","","","0.1034","0.1267","","","","","","0.923","","","","has coordinates","284604","2023-06-29","10:40:05",""
"7713239","8.1195","0.0004","8.5613","0.0004","9.9222","0.0004","97.183","0.002","109.571","0.002","99.479","0.002","628.84","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","Zn-Mannu","","- C19 H29 Br N10 O3 S2 Zn -","- C19 H28 Br N10 O3 S2 Zn -","- C19 H28 Br N10 O3 S2 Zn -","1","0.5","","Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.","Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells","Dalton Transactions","2023","","","","","10.1039/D3DT01388J","","","0.71073","MoKα","","0.0393","0.034","","","0.0843","0.088","","","","","","1.0658","","","","has coordinates,has disorder","284605","2023-06-29","10:40:49",""
"7713240","10.9088","0.0014","10.2087","0.0009","11.9734","0.0014","90","","114.208","0.005","90","","1216.2","0.2","566","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cu N10 O2 S2 -","- C18 H24 Cu N10 O2 S2 -","- C36 H48 Cu2 N20 O4 S4 -","2","0.5","","Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.","Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells","Dalton Transactions","2023","","","","","10.1039/D3DT01388J","","","0.71073","MoKα","","0.0429","0.0391","","","0.1098","0.117","","","","","","1.075","","","","has coordinates","284605","2023-06-29","10:40:49",""
"7713241","4.2204","0.0014","6.0284","0.0019","9.659","0.003","84.14","0.03","80.32","0.03","78.44","0.03","236.74","0.13","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 K N3 O2 S -","- C7 H6 K N3 O2 S -","- C7 H6 K N3 O2 S -","1","1","","Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.","Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells","Dalton Transactions","2023","","","","","10.1039/D3DT01388J","","","0.71073","MoKα","","0.03","0.0283","","","0.0726","0.0759","","","","","","1.065","","","","has coordinates","284605","2023-06-29","10:40:49",""
"7713242","16.9646","0.0007","17.3879","0.0007","26.959","0.0011","81.6","0.003","78.332","0.003","67.56","0.004","7177.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H179 Cl16 Mn4 N16 -","- C103 H179 Cl16 Mn4 N16 -","- C206 H358 Cl32 Mn8 N32 -","2","1","","Chen, Peng; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Yang, Zhu; Lu, Yanzhou; Zhang, Wentao; Cai, Hong-Ling; Wu, X. S.","A room temperature ferroelectric material with photoluminescence: (1,3-dicyclohexylimidazole)<sub>2</sub>MnCl<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01260c","","x-ray","0.71073","MoKα","","0.1626","0.1022","","","0.2859","0.3378","","","","","","1.068","","","","has coordinates","284606","2023-06-29","10:41:54",""
"7713243","16.9646","0.0007","17.3879","0.0007","26.959","0.0011","81.6","0.003","78.332","0.003","67.56","0.004","7177.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C119.5 H205.5 Cl16 Mn4 N16 -","- C119.5 H203 Cl16 Mn4 N16 -","- C239 H406 Cl32 Mn8 N32 -","2","2","","Chen, Peng; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Yang, Zhu; Lu, Yanzhou; Zhang, Wentao; Cai, Hong-Ling; Wu, X. S.","A room temperature ferroelectric material with photoluminescence: (1,3-dicyclohexylimidazole)<sub>2</sub>MnCl<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01260c","","x-ray","0.71073","MoKα","","0.1779","0.0964","","","0.2442","0.3102","","","","","","1.035","","","","has coordinates","284606","2023-06-29","10:41:55",""
"7713244","8.1624","0.0001","19.0919","0.0003","6.7941","0.0001","90","","90","","90","","1058.76","0.03","220","2","220","2","","","","","","","","6","C m c 21","C 2c -2","36","pyridine dicarbonitrile triflate","","","- C8 H4 F3 N3 O3 S -","- C8 H4 F3 N3 O3 S -","- C32 H16 F12 N12 O12 S4 -","4","0.5","","Bennetts, Jason D.; Barwise, Lachlan; Sharp-Bucknall, Lachlan; White, Keith F.; Hogan, Conor F.; Dutton, Jason L.","Structural verification and new reactivity for Stang's reagent, [PhI(CN)][OTf].","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8536","8539","10.1039/d3dt01765f","","","1.54184","CuKα","","0.0269","0.0266","","","0.0707","0.0709","","","","","","1.05","","","","has coordinates","284607","2023-06-29","10:42:49",""
"7713245","5.6343","0.0002","12.3673","0.0006","16.8451","0.0009","90","","94.386","0.004","90","","1170.35","0.09","175","2","175","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Stang's reagent","","","- C8 H5 F3 I N O3 S -","- C8 H5 F3 I N O3 S -","- C32 H20 F12 I4 N4 O12 S4 -","4","1","","Bennetts, Jason D.; Barwise, Lachlan; Sharp-Bucknall, Lachlan; White, Keith F.; Hogan, Conor F.; Dutton, Jason L.","Structural verification and new reactivity for Stang's reagent, [PhI(CN)][OTf].","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8536","8539","10.1039/d3dt01765f","","","1.54184","CuKα","","0.0979","0.0658","","","0.1805","0.2369","","","","","","1.034","","","","has coordinates","284607","2023-06-29","10:42:49",""
"7713246","12.6758","0.0003","12.6758","0.0003","19.8058","0.0004","90","","90","","120","","2755.97","0.11","101.1","0.6","101.1","0.6","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H21 Sb -","- C21 H21 Sb -","- C126 H126 Sb6 -","6","0.333333","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0216","0.0211","","","0.0541","0.0543","","","","","","1.098","","","","has coordinates","284608","2023-06-29","10:45:01",""
"7713247","12.1755","0.0001","13.5809","0.0002","20.669","0.0003","90","","90","","90","","3417.71","0.08","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 O5 Sb2 -","- C36 H44 O5 Sb2 -","- C144 H176 O20 Sb8 -","4","1","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0339","0.0325","","","0.0852","0.0864","","","","","","1.078","","","","has coordinates","284608","2023-06-29","10:45:04",""
"7713248","15.1979","0.0005","16.323","0.0008","16.9475","0.0006","90","","90","","90","","4204.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O2 Sb -","- C24 H27 O2 Sb -","- C192 H216 O16 Sb8 -","8","2","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0571","0.0483","","","0.1156","0.1199","","","","","","1.08","","","","has coordinates","284608","2023-06-29","10:45:04",""
"7713249","10.0944","0.0004","11.6974","0.0005","12.2709","0.0006","63.873","0.005","84.156","0.004","65.488","0.004","1177.82","0.11","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 O2 Sb -","- C27 H31 O2 Sb -","- C54 H62 O4 Sb2 -","2","1","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.0939","0.0961","","","","","","1.093","","","","has coordinates,has disorder","284608","2023-06-29","10:45:04",""
"7713250","9.8252","0.0001","11.8813","0.0002","20.2807","0.0003","90","","90.787","0.001","90","","2367.27","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 O2 Sb -","- C27 H33 O2 Sb -","- C108 H132 O8 Sb4 -","4","1","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0261","0.0237","","","0.0614","0.0628","","","","","","1.05","","","","has coordinates","284608","2023-06-29","10:45:05",""
"7713251","8.6242","0.0002","9.3045","0.0002","14.1213","0.0003","79.804","0.002","83.183","0.002","80.822","0.002","1096.19","0.04","101","1","101","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 O2 Sb -","- C25 H29 O2 Sb -","- C50 H58 O4 Sb2 -","2","1","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0321","0.031","","","0.0817","0.0825","","","","","","1.101","","","","has coordinates","284608","2023-06-29","10:45:05",""
"7713252","13.8114","0.0001","11.4705","0.0001","28.9055","0.0002","90","","103.897","0.001","90","","4445.27","0.06","100.5","0.9","100.5","0.9","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 O2 Sb -","- C25 H29 O2 Sb -","- C200 H232 O16 Sb8 -","8","2","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0205","0.0204","","","0.0531","0.0531","","","","","","1.031","","","","has coordinates","284608","2023-06-29","10:45:05",""
"7713253","8.8969","0.0002","9.3354","0.0002","15.1475","0.0004","76.082","0.002","78.93","0.002","74.721","0.002","1166.83","0.05","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H31 O2 Sb -","- C27 H31 O2 Sb -","- C54 H62 O4 Sb2 -","2","2","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0263","0.0251","","","0.0605","0.0612","","","","","","1.047","","","","has coordinates,has disorder","284608","2023-06-29","10:45:05",""
"7713254","5.8434","0.0001","28.9507","0.0004","9.3534","0.0001","90","","99.118","0.001","90","","1562.33","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Fe N4 -","- C18 H16 Fe N4 -","- C72 H64 Fe4 N16 -","4","1","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.0482","0.0421","","","0.1074","0.1122","","","","","","1.038","","","","has coordinates","284609","2023-06-29","10:46:46",""
"7713255","5.8002","0.0001","29.8989","0.0003","9.0804","0.0001","90","","102.836","0.001","90","","1535.37","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Fe N4 -","- C18 H16 Fe N4 -","- C72 H64 Fe4 N16 -","4","1","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.0402","0.0362","","","0.098","0.1075","","","","","","1.058","","","","has coordinates,has disorder","284609","2023-06-29","10:46:47",""
"7713256","9.3014","0.0001","31.0939","0.0004","12.5522","0.0002","90","","102.377","0.001","90","","3545.93","0.08","294.87","0.1","294.87","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cl3 F3 Fe N6 O6 Re S -","- C29 H23 Cl3 F3 Fe N6 O6 Re S -","- C116 H92 Cl12 F12 Fe4 N24 O24 Re4 S4 -","4","1","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.0768","0.067","","","0.1776","0.1851","","","","","","1.069","","","","has coordinates,has disorder","284609","2023-06-29","10:46:47",""
"7713257","10.6081","0.0002","9.5189","0.0002","41.2655","0.0007","90","","90","","90","","4166.88","0.14","295.61","0.18","295.61","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl Fe N4 O3 Re -","- C20 H14 Cl Fe N4 O3 Re -","- C160 H112 Cl8 Fe8 N32 O24 Re8 -","8","1","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.0593","0.0522","","","0.1416","0.1473","","","","","","1.074","","","","has coordinates","284609","2023-06-29","10:46:47",""
"7713258","12.8718","0.0007","13.0241","0.0004","13.7907","0.0004","80.131","0.003","75.297","0.004","84.827","0.004","2200.48","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H16 Cl Fe N4 O3 Re -","- C21 H16 Cl Fe N4 O3 Re -","- C84 H64 Cl4 Fe4 N16 O12 Re4 -","4","2","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.0806","0.0684","","","0.192","0.2111","","","","","","1.037","","","","has coordinates,has disorder","284609","2023-06-29","10:46:49",""
"7713259","8.895","0.0006","11.5329","0.0008","14.2889","0.0011","72.524","0.007","81.313","0.006","71.001","0.006","1319.7","0.18","296","1","296","1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl Fe N6 O3 Re -","- C26 H20 Cl Fe N6 O3 Re -","- C52 H40 Cl2 Fe2 N12 O6 Re2 -","2","1","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.1398","0.1169","","","0.3125","0.3418","","","","","","1.082","","","","has coordinates","284609","2023-06-29","10:46:54",""
"7713260","11.8551","0.0004","11.8538","0.0004","38.9071","0.0011","90","","90","","90","","5467.5","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H58 Cl8 N8 O2 Zn2 -","- C50 H58 Cl8 N8 O2 Zn2 -","- C200 H232 Cl32 N32 O8 Zn8 -","4","1","","Tansky, Maxym; Comito, Robert J.","Bimetallic polymerization of lactide with binaphthol-derived bis-heteroscorpionate dizinc and dimagnesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8784","8791","10.1039/d3dt00592e","","","1.54178","CuKα","","0.0401","0.04","","","0.1118","0.1119","","","","","","1.076","","","","has coordinates,has disorder","284610","2023-06-29","10:47:47",""
"7713261","12.4294","0.0008","12.4635","0.0008","30.023","0.002","91.216","0.002","98.672","0.002","115.93","0.002","4115","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H144 N7 O3 Yb -","- C87 H144 N7 O3 Yb -","- C174 H288 N14 O6 Yb2 -","2","1","","Zhou, Yiwei; Buch, Christian D.; Hansen, Steen H.; Piligkos, Stergios","Long aliphatic chain derivatives of trigonal lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8792","8799","10.1039/d3dt01191g","","","0.71073","MoKα","","0.0259","0.0219","","","0.0521","0.0539","","","","","","1.071","","","","has coordinates","284611","2023-06-29","10:48:21",""
"7713262","13.7215","0.0003","35.1471","0.0008","19.2775","0.0005","90","","90","","90","","9297","0.4","295.9","0.3","295.9","0.3","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H19 Cu3 N O15 -","- C26 H19 Cu3 N O15 -","- C208 H152 Cu24 N8 O120 -","8","0.5","","Li, Shi-Ming; Jiang, Hong-Chan; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","A linker conformation induced metal–organic framework with high stability and efficient upgrading of natural gas","Dalton Transactions","2023","","","","","10.1039/D3DT00979C","","x-ray","1.54184","CuKα","","0.0873","0.0789","","","0.2797","0.2931","","","","","","1.11","","","","has coordinates","284612","2023-06-29","10:48:54",""
"7713263","10.8109","0.0004","9.4778","0.0003","20.4419","0.0007","90","","103.161","0.004","90","","2039.53","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 F3 N -","- C20 H34 F3 N -","- C80 H136 F12 N4 -","4","1","","Gruden, Evelin; Prinčič, Griša Grigorij; Hočevar, Jan; Iskra, Jernej; Kvíčala, Jaroslav; Tavčar, Gašper","From cyclic (alkyl)(amino)carbene (CAAC) precursors to fluorinating reagents. Experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01476b","","x-ray","1.54184","CuKα","","0.0619","0.0498","","","0.1289","0.1391","","","","","","1.056","","","","has coordinates","284613","2023-06-29","10:50:10",""
"7713264","12.3381","0.0001","12.422","0.0001","12.3701","0.0002","90","","106.496","0.001","90","","1817.85","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F N -","- C20 H32 F N -","- C80 H128 F4 N4 -","4","1","","Gruden, Evelin; Prinčič, Griša Grigorij; Hočevar, Jan; Iskra, Jernej; Kvíčala, Jaroslav; Tavčar, Gašper","From cyclic (alkyl)(amino)carbene (CAAC) precursors to fluorinating reagents. Experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01476b","","x-ray","1.54184","CuKα","","0.0441","0.0414","","","0.1158","0.1182","","","","","","1.08","","","","has coordinates","284613","2023-06-29","10:50:11",""
"7713265","10.4339","0.0003","14.8964","0.0005","14.3883","0.0005","90","","100.056","0.003","90","","2201.98","0.13","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 F4 N -","- C20 H35 F4 N -","- C80 H140 F16 N4 -","4","1","","Gruden, Evelin; Prinčič, Griša Grigorij; Hočevar, Jan; Iskra, Jernej; Kvíčala, Jaroslav; Tavčar, Gašper","From cyclic (alkyl)(amino)carbene (CAAC) precursors to fluorinating reagents. Experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01476b","","x-ray","1.54184","CuKα","","0.0671","0.0502","","","0.1323","0.1475","","","","","","1.044","","","","has coordinates","284613","2023-06-29","10:50:11",""
"7713266","10.90751","0.00018","31.7144","0.0005","12.95482","0.00018","90","","90.3955","0.0014","90","","4481.29","0.12","150","0.1","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H71 F9 N2 -","- C40 H71 F9 N2 -","- C160 H284 F36 N8 -","4","1","","Gruden, Evelin; Prinčič, Griša Grigorij; Hočevar, Jan; Iskra, Jernej; Kvíčala, Jaroslav; Tavčar, Gašper","From cyclic (alkyl)(amino)carbene (CAAC) precursors to fluorinating reagents. Experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01476b","","","1.54184","CuKα","","0.0775","0.0607","","","0.1666","0.1811","","","","","","1.038","","","","has coordinates,has disorder","284613","2023-06-29","10:50:11",""
"7713267","9.3894","0.0003","17.6755","0.0007","17.8951","0.0007","96.869","0.003","96.961","0.003","93.453","0.003","2918.44","0.19","150.01","0.11","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H97 F4 N3 -","- C60 H97 F4 N3 -","- C120 H194 F8 N6 -","2","1","","Gruden, Evelin; Prinčič, Griša Grigorij; Hočevar, Jan; Iskra, Jernej; Kvíčala, Jaroslav; Tavčar, Gašper","From cyclic (alkyl)(amino)carbene (CAAC) precursors to fluorinating reagents. Experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01476b","","","1.54184","CuKα","","0.0762","0.0566","","","0.1491","0.16","","","","","","1.037","","","","has coordinates,has disorder","284613","2023-06-29","10:50:11",""
"7713268","16.9108","0.0005","7.8655","0.0002","19.3503","0.0006","90","","90.679","0.001","90","","2573.64","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Ag F6 N5 Sb -","- C25 H21 Ag F6 N5 Sb -","- C100 H84 Ag4 F24 N20 Sb4 -","4","1","","Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen","Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2023","52","28","9607","9621","10.1039/d2dt03463h","","","0.71073","MoKα","","0.0448","0.0398","","","0.1363","0.1403","","","","","","1.05","","","","has coordinates","285464","2023-08-05","09:04:15",""
"7713269","18.4976","0.001","22.3233","0.0011","13.8633","0.0008","90","","106.21","0.006","90","","5497","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Ag F6 N4 O2 S Sb -","- C24 H20 Ag F6 N4 O2 S Sb -","- C192 H160 Ag8 F48 N32 O16 S8 Sb8 -","8","1","","Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen","Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2023","52","28","9607","9621","10.1039/d2dt03463h","","","0.71073","MoKα","","0.0602","0.0438","","","0.124","0.1365","","","","","","1.036","","","","has coordinates","285464","2023-08-05","09:04:16",""
"7713270","7.811","0.0003","20.7327","0.0007","15.6722","0.0005","90","","99.079","0.003","90","","2506.21","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Ag Cl F6 N4 Sb -","- C23 H17 Ag Cl F6 N4 Sb -","- C92 H68 Ag4 Cl4 F24 N16 Sb4 -","4","1","","Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen","Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2023","52","28","9607","9621","10.1039/d2dt03463h","","","0.71073","MoKα","","0.0529","0.0351","","","0.0874","0.0981","","","","","","1.049","","","","has coordinates","285464","2023-08-05","09:04:16",""
"7713271","8.0272","0.0016","20.981","0.004","15.281","0.003","90","","98.44","0.03","90","","2545.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Ag F6 I N4 Sb -","- C23 H17 Ag F6 I N4 Sb -","- C92 H68 Ag4 F24 I4 N16 Sb4 -","4","1","","Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen","Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2023","52","28","9607","9621","10.1039/d2dt03463h","","","0.71073","MoKα","","0.0617","0.0354","","","0.0744","0.0896","","","","","","1.014","","","","has coordinates","285464","2023-08-05","09:04:16",""
"7713272","7.3381","0.0015","12.389","0.003","14.819","0.003","101.01","0.03","91.44","0.03","103.32","0.03","1283.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Ag F6 N4 Sb -","- C24 H20 Ag F6 N4 Sb -","- C48 H40 Ag2 F12 N8 Sb2 -","2","1","","Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen","Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2023","52","28","9607","9621","10.1039/d2dt03463h","","","0.71073","MoKα","","0.0797","0.0484","","","0.1171","0.1485","","","","","","1.039","","","","has coordinates","285464","2023-08-05","09:04:16",""
"7713273","7.8974","0.0016","20.779","0.004","15.506","0.003","90","","98.91","0.03","90","","2513.8","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Ag Br F6 N4 Sb -","- C23 H17 Ag Br F6 N4 Sb -","- C92 H68 Ag4 Br4 F24 N16 Sb4 -","4","1","","Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen","Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2023","52","28","9607","9621","10.1039/d2dt03463h","","","0.71073","MoKα","","0.0667","0.0398","","","0.0939","0.1078","","","","","","1.027","","","","has coordinates","285464","2023-08-05","09:04:16",""
"7713274","13.1608","0.0002","10.8969","0.0002","21.8863","0.0004","90","","103.35","0.007","90","","3053.94","0.13","103","2","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl2 N2 O Ru S -","- C31 H38 Cl2 N2 O Ru S -","- C124 H152 Cl8 N8 O4 Ru4 S4 -","4","1","","Kinugawa, Tsubasa; Matsuo, Takashi","Reactivity regulation for olefin metathesis-catalyzing ruthenium complexes with sulfur atoms at the terminal of 2-alkoxybenzylidene ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01471a","","x-ray","0.71075","MoKα","","0.0335","0.0327","","","0.087","0.0876","","","","","","1.231","","","","has coordinates","284615","2023-06-29","10:53:46",""
"7713275","13.2694","0.0002","10.71431","0.00019","21.4432","0.0004","90","","101.277","0.007","90","","2989.77","0.12","103","2","103.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl2 N2 O2 Ru -","- C31 H38 Cl2 N2 O2 Ru -","- C124 H152 Cl8 N8 O8 Ru4 -","4","1","","Kinugawa, Tsubasa; Matsuo, Takashi","Reactivity regulation for olefin metathesis-catalyzing ruthenium complexes with sulfur atoms at the terminal of 2-alkoxybenzylidene ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01471a","","x-ray","0.71075","MoKα","","0.0356","0.0316","","","0.0743","0.0761","","","","","","1.112","","","","has coordinates","284615","2023-06-29","10:53:46",""
"7713276","23.5716","0.0017","10.7966","0.0008","12.5938","0.0009","90","","90","","90","","3205","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs8 Mn2 Mo14 O65 -","- Cs8 Mn2 Mo14 O65 -","- Cs16 Mn4 Mo28 O130 -","2","0.25","","Shang, Jining; Li, Xiang; Ren, Yuanhang; Ding, Hongxin; Cao, Jiapeng; He, Rui; Yue, Bin; He, Heyong","An one-dimensional chain of manganese(II) bridged peroxomolybdate isolated from aqueous Mn-polymolybdate-H2O2 system","Dalton Transactions","2023","","","","","10.1039/D3DT01243C","","","1.34138","GaKα","","0.0652","0.0614","","","0.1674","0.1764","","","","","","1.089","","","","has coordinates","284616","2023-06-29","10:54:25",""
"7713277","23.5716","0.0017","10.7966","0.0008","12.5938","0.0009","90","","90","","90","","3205","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs4 Mn Mo7 O32.25 -","- Cs4 Mn Mo7 O32.25 -","- Cs16 Mn4 Mo28 O129 -","4","0.5","","Shang, Jining; Li, Xiang; Ren, Yuanhang; Ding, Hongxin; Cao, Jiapeng; He, Rui; Yue, Bin; He, Heyong","An one-dimensional chain of manganese(II) bridged peroxomolybdate isolated from aqueous Mn-polymolybdate-H2O2 system","Dalton Transactions","2023","","","","","10.1039/D3DT01243C","","","1.34138","GaKα","","0.0657","0.0619","","","0.1673","0.1765","","","","","","1.081","","","","has coordinates","284617","2023-06-29","10:54:54",""
"7713278","22.9347","0.001","14.1345","0.0007","32.7675","0.0015","90","","93.105","0.003","90","","10606.7","0.9","293","","293","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H103 Cl3 N6 Ni2 O P6 Ru2 -","- C96 H103 Cl3 N6 Ni2 O P6 Ru2 -","- C384 H412 Cl12 N24 Ni8 O4 P24 Ru8 -","4","0.5","","Alguacil, Andrés; Scalambra, Franco; Lorenzo Luiz, Pablo; Puerta, Adrián; González-Bakker , Aday; Mendoza, Zenaida; Padrón, José M.; Romerosa-Nievas, Antonio Manuel","Tetranuclear Ru2Cu2 and Ru2Ni2 complexes with nanomolar anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT01284K","","","1.54178","CuKα","","0.1479","0.0952","","","0.2005","0.2252","","","","","","1.159","","","","has coordinates,has disorder","284618","2023-06-29","10:55:54",""
"7713279","22.6659","0.0011","14.3702","0.0006","32.8411","0.0015","90","","93.76","0.002","90","","10673.8","0.8","100","","100","","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C103.5 H125 Cl3 Cu2 F6 N6 O12.5 P6 Ru2 S2 -","- C103.501 H125.004 Cl3 Cu2 F6 N6 O12.501 P6 Ru2 S2 -","- C414.004 H500.016 Cl12 Cu8 F24 N24 O50.004 P24 Ru8 S8 -","4","1","","Alguacil, Andrés; Scalambra, Franco; Lorenzo Luiz, Pablo; Puerta, Adrián; González-Bakker , Aday; Mendoza, Zenaida; Padrón, José M.; Romerosa-Nievas, Antonio Manuel","Tetranuclear Ru2Cu2 and Ru2Ni2 complexes with nanomolar anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT01284K","","x-ray","0.71073","MoKα","","0.0712","0.0577","","","0.1237","0.132","","","","","","1.083","","","","has coordinates,has disorder","284618","2023-06-29","10:55:55",""
"7713280","10.8394","0.0005","11.3065","0.0006","14.4856","0.0007","105.159","0.002","94.76","0.002","90.872","0.002","1706.35","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Cl N2 O4 Rh -","- C37 H48 Cl N2 O4 Rh -","- C74 H96 Cl2 N4 O8 Rh2 -","2","1","","Marco, Alicia; Vigueras, Gloria; Busto, Natalia; Cutillas, Natalia; Bautista, Delia; Ruiz, José","Novel valproate half-sandwich rhodium and iridium conjugates to fight against multidrug-resistant Gram-positive bacteria.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01678a","","","0.71073","MoKα","","0.0311","0.026","","","0.0561","0.0612","","","","","","1.219","","","","has coordinates","284619","2023-06-29","10:56:42",""
"7713281","10.0194","0.0004","15.2773","0.0006","16.1948","0.0007","109.443","0.001","90.021","0.001","98.812","0.001","2306.46","0.16","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cl6 N4 V2 -","- C38 H44 Cl6 N4 V2 -","- C76 H88 Cl12 N8 V4 -","2","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","","0.71073","MoKα","","0.0777","0.0556","","","0.1393","0.1504","","","","","","1.019","","","","has coordinates","284620","2023-06-29","10:59:11",""
"7713282","18.683","0.003","14.963","0.002","19.074","0.003","90","","90","","90","","5332.2","1.4","100.15","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1","","- C27 H39 N2 O3 V -","- C27 H39 N2 O3 V -","- C216 H312 N16 O24 V8 -","8","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","","0.71073","MoKα","","0.0803","0.0506","","","0.1167","0.1381","","","","","","1.045","","","","has coordinates","284620","2023-06-29","10:59:11",""
"7713283","29.341","0.002","29.341","0.002","10.4047","0.0014","90","","90","","90","","8957.3","1.5","100.15","","100.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","1","","- C23 H31 N2 O3 V -","- C23 H31 N2 O3 V -","- C368 H496 N32 O48 V16 -","16","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","","0.71073","MoKα","","0.0419","0.0325","","","0.0797","0.0847","","","","","","1.058","","","","has coordinates","284620","2023-06-29","10:59:11",""
"7713284","35.6823","0.0003","35.6823","0.0003","13.3003","0.0002","90","","90","","120","","14665.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","1","","- C21 H25 Br Cl3 N2 O V -","- C21 H25 Br Cl3 N2 O V -","- C378 H450 Br18 Cl54 N36 O18 V18 -","18","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","x-ray","1.54184","CuKα","","0.0427","0.0379","","","0.0972","0.0996","","","","","","1.063","","","","has coordinates,has disorder","284620","2023-06-29","10:59:11",""
"7713285","18.2129","0.0007","10.5086","0.0004","17.5705","0.0007","90","","112.443","0.001","90","","3108.2","0.2","301","2","301","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl3 N2 O V -","- C25 H34 Cl3 N2 O V -","- C100 H136 Cl12 N8 O4 V4 -","4","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","","0.71073","MoKα","","0.0824","0.0573","","","0.1742","0.1911","","","","","","1.031","","","","has coordinates","284620","2023-06-29","10:59:11",""
"7713286","20.8502","0.0018","10.6548","0.0007","29.707","0.003","90","","95.342","0.002","90","","6570.9","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 O12 S2 Si8 -","- C60 H68 O12 S2 Si8 -","- C240 H272 O48 S8 Si32 -","4","1","","Zheng, Zhan-Jiang; Liu, Yujia; Takeda, Nobuhiro; Unno, Masafumi","Synthesis and Characterization of Sulfide/Sulfone-Containing 18-8-18-Membered-Ring Ladder-Type Siloxanes","Dalton Transactions","2023","","","","","10.1039/D3DT01227A","","","0.71075","MoKα","","0.0361","0.0296","","","0.0775","0.0819","","","","","","1.056","","","","has coordinates","284621","2023-06-29","11:00:20",""
"7713287","21.122","0.003","10.678","0.0018","29.541","0.005","90","","94.396","0.004","90","","6643.1","1.8","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 O16 S2 Si8 -","- C60 H68 O16 S2 Si8 -","- C240 H272 O64 S8 Si32 -","4","0.5","","Zheng, Zhan-Jiang; Liu, Yujia; Takeda, Nobuhiro; Unno, Masafumi","Synthesis and Characterization of Sulfide/Sulfone-Containing 18-8-18-Membered-Ring Ladder-Type Siloxanes","Dalton Transactions","2023","","","","","10.1039/D3DT01227A","","","0.71075","MoKα","","0.0346","0.0296","","","0.0786","0.0833","","","","","","1.096","","","","has coordinates","284621","2023-06-29","11:00:21",""
"7713288","11.0621","0.0002","18.0532","0.0004","18.0532","0.0004","90","","90","","90","","3605.34","0.13","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl3 O P2 Re -","- C34 H31 Cl3 O P2 Re -","- C136 H124 Cl12 O4 P8 Re4 -","4","1","","Bai, Wei; Li, Lei; Fu, Yukang; Tang, Junping; Zhao, Yue; Wang, Yilun; Yang, Li","Radical metallacyclopropene: synthesis, structure and aromaticity","Dalton Transactions","2023","","","","","10.1039/D3DT01558K","","","0.71073","MoKα","","0.0346","0.0296","","","0.0729","0.0748","","","","","","1.046","","","","has coordinates","284622","2023-06-29","11:01:06",""
"7713289","10.5704","0.0004","11.4035","0.0005","13.9505","0.0006","107.372","0.001","92.398","0.002","106.532","0.002","1523.69","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cl2 O2 P2 Re -","- C34 H31 Cl2 O2 P2 Re -","- C68 H62 Cl4 O4 P4 Re2 -","2","1","","Bai, Wei; Li, Lei; Fu, Yukang; Tang, Junping; Zhao, Yue; Wang, Yilun; Yang, Li","Radical metallacyclopropene: synthesis, structure and aromaticity","Dalton Transactions","2023","","","","","10.1039/D3DT01558K","","","0.71073","MoKα","","0.0404","0.0363","","","0.0964","0.0992","","","","","","1.087","","","","has coordinates,has disorder","284622","2023-06-29","11:01:17",""
"7713290","14.5961","0.0003","14.5961","0.0003","14.5961","0.0003","90","","90","","90","","3109.64","0.11","273","","273","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C14 H30 Ag4 I6 N4 -","- C14 H29.9994 Ag4.0198 I6 N4 -","- C56 H119.998 Ag16.0792 I24 N16 -","4","0.166667","","Pan, Xue-Wei; Li, Qing-Qing; Zhai, Lu; Zhang, Jin; Liu, Wen-Long; Ren, Xiao-Ming","Organic-inorganic haloargentate hybrids of [Me-dabco]Ag<sub>2</sub>X<sub>3</sub> (X = I or Br) with halide ions manipulating the crystal structure, phase transition, and dielectric behavior.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01366a","","","0.71073","MoKα","","0.0419","0.0323","","","0.0655","0.071","","","","","","1.075","","","","has coordinates,has disorder","284623","2023-06-29","11:02:25",""
"7713291","20.683","0.0017","7.451","0.0006","34.055","0.003","90","","90.169","0.003","90","","5248.2","0.8","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H120.65 Ag16 Br24 N16 -","- C56 H120.637 Ag16 Br24 N16 -","- C112 H241.274 Ag32 Br48 N32 -","2","1","","Pan, Xue-Wei; Li, Qing-Qing; Zhai, Lu; Zhang, Jin; Liu, Wen-Long; Ren, Xiao-Ming","Organic-inorganic haloargentate hybrids of [Me-dabco]Ag<sub>2</sub>X<sub>3</sub> (X = I or Br) with halide ions manipulating the crystal structure, phase transition, and dielectric behavior.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01366a","","x-ray","0.71073","MoKα","","0.0787","0.0488","","","0.1021","0.1169","","","","","","1.03","","","","has coordinates,has disorder","284623","2023-06-29","11:02:25",""
"7713292","10.5389","0.0009","12.0167","0.001","13.0713","0.0009","67.038","0.003","81.962","0.003","87.4","0.003","1509.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Triscarborane_ethaylacetate adduct","","- C10 H41 B31 O2 -","- C10 H41 B31 O2 -","- C20 H82 B62 O4 -","2","1","","Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.","Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01557b","","","0.71073","MoKα","","0.0476","0.0417","","","0.1067","0.1102","","","","","","1.097","","","","has coordinates,has disorder","284624","2023-06-29","11:03:54",""
"7713293","13.0069","0.0003","13.0069","0.0003","25.8322","0.0008","90","","90","","120","","3784.77","0.17","150","2","150","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Triscarborane_trimehtylphosphine_triethylsilane","","- C15 H58 B31 P Si -","- C15 H58 B31 P Si -","- C60 H232 B124 P4 Si4 -","4","0.333333","","Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.","Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01557b","","","0.71073","MoKα","","0.0752","0.055","","","0.1373","0.1666","","","","","","1.154","","","","has coordinates","284624","2023-06-29","11:03:54",""
"7713294","15.5559","0.0007","15.5559","0.0007","36.209","0.003","90","","90","","120","","7588.2","0.8","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","tris-carborane_triphenylphosphine_triethylsilane","","- C30 H64 B31 P Si -","- C30 H64 B31 P Si -","- C180 H384 B186 P6 Si6 -","6","0.333333","","Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.","Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01557b","","","0.71073","MoKα","","0.0815","0.0677","","","0.1691","0.1802","","","","","","1.116","","","","has coordinates,has disorder","284624","2023-06-29","11:03:54",""
"7713295","11.0762","0.0005","12.7163","0.0005","12.9783","0.0005","87.269","0.002","66.922","0.002","78.596","0.002","1647.58","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Triscarborane_26dimethylphenylsiocyanide adduct","","- C15 H42 B31 N -","- C15 H42 B31 N -","- C30 H84 B62 N2 -","2","1","","Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.","Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01557b","","","0.71073","MoKα","","0.0468","0.0407","","","0.108","0.1126","","","","","","1.049","","","","has coordinates","284624","2023-06-29","11:03:54",""
"7713296","8.972","0.003","9.675","0.003","10.878","0.003","68.48","0.02","66.84","0.02","66.63","0.02","771.7","0.4","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Cl6 N2 O2 Se2 -","- C18 H40 Cl6 N2 O2 Se2 -","- C18 H40 Cl6 N2 O2 Se2 -","1","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0545","0.0417","","","0.1071","0.1176","","","","","","0.978","","","","has coordinates","284626","2023-06-29","11:05:45",""
"7713297","8.4053","0.0012","16.6488","0.0016","9.7517","0.0014","90","","105.712","0.011","90","","1313.6","0.3","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H30 Cl26 N4 Se6 -","- C16 H30 Cl26 N4 Se6 -","- C16 H30 Cl26 N4 Se6 -","1","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0604","0.0422","","","0.0892","0.0981","","","","","","0.98","","","","has coordinates","284626","2023-06-29","11:05:45",""
"7713298","8.57","0.004","8.857","0.004","9.228","0.004","73.69","0.03","72.73","0.03","63.57","0.03","589.8","0.5","213","","213","","","","","","","","","6","P 1","P 1","1","","","","- C16 H30 Cl4 N4 O Se -","- C16 H30 Cl4 N4 O Se -","- C16 H30 Cl4 N4 O Se -","1","1","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.116","0.0404","","","0.0728","0.0867","","","","","","0.608","","","","has coordinates","284626","2023-06-29","11:05:45",""
"7713299","10.4199","0.0017","16.067","0.004","12.373","0.002","90","","94.433","0.013","90","","2065.2","0.7","213","","213","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl14 N2 O2 Se4 -","- C18 H40 Cl14 N2 O2 Se4 -","- C36 H80 Cl28 N4 O4 Se8 -","2","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0643","0.0366","","","0.0775","0.0809","","","","","","0.742","","","","has coordinates","284626","2023-06-29","11:05:46",""
"7713300","9.9777","0.0017","10.5576","0.0018","13.801","0.002","67.258","0.012","68.592","0.012","87.254","0.014","1240.9","0.4","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Cl18 N2 O4 Se6 -","- C18 H40 Cl18 N2 O4 Se6 -","- C18 H40 Cl18 N2 O4 Se6 -","1","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0414","0.0266","","","0.0598","0.0628","","","","","","0.902","","","","has coordinates,has disorder","284626","2023-06-29","11:05:46",""
"7713301","11.4012","0.0012","10.6225","0.0014","16.195","0.0015","90","","94.713","0.008","90","","1954.7","0.4","213","","213","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl14 N4 O2 Se4 -","- C16 H30 Cl14 N4 O2 Se4 -","- C32 H60 Cl28 N8 O4 Se8 -","2","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0516","0.0382","","","0.0845","0.0864","","","","","","0.823","","","","has coordinates,has disorder","284626","2023-06-29","11:05:46",""
"7713302","10.9462","0.0009","14.9569","0.0017","14.035","0.0012","90","","101.413","0.006","90","","2252.4","0.4","213","","213","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl14 N2 O6 Se6 -","- C18 H40 Cl14 N2 O6 Se6 -","- C36 H80 Cl28 N4 O12 Se12 -","2","0.5","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","0.71073","MoKα","","0.0314","0.0229","","","0.0508","0.0515","","","","","","0.826","","","","has coordinates","284626","2023-06-29","11:05:46",""
"7713303","16.7567","0.0012","21.2461","0.001","16.9058","0.0007","90","","90","","90","","6018.7","0.6","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H15 Cl15 N2 O Se4 -","- C8 H15 Cl15 N2 O Se4 -","- C64 H120 Cl120 N16 O8 Se32 -","8","1","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","1.34143","GaKα","","0.0337","0.024","","","0.0583","0.0603","","","","","","0.934","","","","has coordinates","284626","2023-06-29","11:05:46",""
"7713304","15.909","0.002","11.9462","0.0015","17.63","0.002","90","","107.95","0.003","90","","3187.5","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SHK-150","","- C49 H66 Cl2 N4 P4 S16 -","- C49 H66 Cl2 N4 P4 S16 -","- C98 H132 Cl4 N8 P8 S32 -","2","0.5","","Kermanshahian, Shahriar; Kalisch, Tim; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Boeré, René T; Streubel, Rainer","Access to and reactions of P-functional 1,4-dihydro-1,4-diphosphinines fused to two TTF units.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00985h","","","0.71073","MoKα","","0.1361","0.0826","","","0.1757","0.2018","","","","","","1.06","","","","has coordinates,has disorder","284627","2023-06-29","11:07:43",""
"7713305","6.8055","0.0003","7.6486","0.0004","37.8273","0.0016","90","","92.938","0.002","90","","1966.42","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SHK-297","","- C18 H22 N P S4 -","- C18 H22 N P S4 -","- C72 H88 N4 P4 S16 -","4","1","","Kermanshahian, Shahriar; Kalisch, Tim; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Boeré, René T; Streubel, Rainer","Access to and reactions of P-functional 1,4-dihydro-1,4-diphosphinines fused to two TTF units.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00985h","","x-ray","1.54178","CuKα","","0.072","0.062","","","0.1725","0.1852","","","","","","1.066","","","","has coordinates","284627","2023-06-29","11:07:43",""
"7713306","25.4912","0.0005","7.7063","0.0001","21.8491","0.0005","90","","108.064","0.0016","90","","4080.54","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SHK-474","","- C32 H48 N2 P2 S8 Se2 -","- C32 H48 N2 P2 S8 Se2 -","- C128 H192 N8 P8 S32 Se8 -","4","1","","Kermanshahian, Shahriar; Kalisch, Tim; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Boeré, René T; Streubel, Rainer","Access to and reactions of P-functional 1,4-dihydro-1,4-diphosphinines fused to two TTF units.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00985h","","x-ray","1.54186","CuKα","","0.0748","0.0697","","","0.1759","0.179","","","","","","1.183","","","","has coordinates,has disorder","284627","2023-06-29","11:07:43",""
"7713307","23.9063","0.0004","7.61506","0.0001","19.2661","0.0003","90","","102.092","0.001","90","","3429.53","0.09","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","SHK-499","","- C25 H32 Cl2 N2 O2 P2 S8 -","- C25 H34 Cl2 N2 O2 P2 S8 -","- C100 H136 Cl8 N8 O8 P8 S32 -","4","0.5","","Kermanshahian, Shahriar; Kalisch, Tim; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Boeré, René T; Streubel, Rainer","Access to and reactions of P-functional 1,4-dihydro-1,4-diphosphinines fused to two TTF units.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00985h","","x-ray","1.54186","CuKα","","0.04","0.0352","","","0.0917","0.0954","","","","","","1.038","","","","has coordinates,has disorder","284627","2023-06-29","11:07:43",""
"7713308","21.5021","0.001","8.8031","0.0003","19.8376","0.0006","90","","93.833","0.004","90","","3746.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 B2 S2 -","- C40 H54 B2 S2 -","- C160 H216 B8 S8 -","4","1","","Adachi, Yohei; Hasegawa, Takumi; Ohshita, Joji","Highly luminescent antiaromatic diborinines with fused thiophene rings.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01841e","","x-ray","0.71073","MoKα","","0.14","0.0739","","","0.1845","0.2201","","","","","","1.038","","","","has coordinates,has disorder","284628","2023-06-29","11:08:31",""
"7713309","12.1851","0.0002","26.1606","0.0004","15.8166","0.0003","90","","107.634","0.0009","90","","4804.94","0.14","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H156 O4 Sn2 -","- C110 H156 O4 Sn2 -","- C220 H312 O8 Sn4 -","2","1","","McLoughlin, Connor P.; Kaseman, Derrick C.; Fettinger, James C.; Power, Philip P.","Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster [Ge<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>2</sub>-OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>4</sub>](NH<sub>3</sub>)<sub>0.5</sub>: main group aryloxides of Ge(II), Sn(II), and Pb(II) [M(OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (Cy = cyclohexyl).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00906h","","","0.71073","MoKα","","0.0623","0.0436","","","0.0731","0.0803","","","","","","0.995","","","","has coordinates","284629","2023-06-29","11:10:04",""
"7713310","19.3073","0.0012","16.9581","0.0011","31.157","0.002","90","","100.286","0.0016","90","","10037.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H140 Ge2 O4 -","- C96 H140 Ge2 O4 -","- C384 H560 Ge8 O16 -","4","1","","McLoughlin, Connor P.; Kaseman, Derrick C.; Fettinger, James C.; Power, Philip P.","Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster [Ge<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>2</sub>-OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>4</sub>](NH<sub>3</sub>)<sub>0.5</sub>: main group aryloxides of Ge(II), Sn(II), and Pb(II) [M(OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (Cy = cyclohexyl).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00906h","","","0.71073","MoKα","","0.047","0.0342","","","0.0846","0.0905","","","","","","1.044","","","","has coordinates","284629","2023-06-29","11:10:05",""
"7713311","18.4668","0.0008","16.8063","0.0006","19.1231","0.0008","90","","117.133","0.002","90","","5281.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H140 O4 Pb2 -","- C96 H140 O4 Pb2 -","- C192 H280 O8 Pb4 -","2","0.5","","McLoughlin, Connor P.; Kaseman, Derrick C.; Fettinger, James C.; Power, Philip P.","Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster [Ge<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>2</sub>-OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>4</sub>](NH<sub>3</sub>)<sub>0.5</sub>: main group aryloxides of Ge(II), Sn(II), and Pb(II) [M(OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (Cy = cyclohexyl).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00906h","","","0.71073","MoKα","","0.0795","0.0466","","","0.1086","0.1254","","","","","","1.051","","","","has coordinates,has disorder","284629","2023-06-29","11:10:05",""
"7713312","28.917","0.004","28.936","0.004","29.722","0.004","90","","108.188","0.004","90","","23627","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H173.5 Ge6 N0.5 O8 -","- C124 H172.75 Ge6 N0.5 O8 -","- C992 H1382 Ge48 N4 O64 -","8","1","","McLoughlin, Connor P.; Kaseman, Derrick C.; Fettinger, James C.; Power, Philip P.","Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster [Ge<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>2</sub>-OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>4</sub>](NH<sub>3</sub>)<sub>0.5</sub>: main group aryloxides of Ge(II), Sn(II), and Pb(II) [M(OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (Cy = cyclohexyl).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00906h","","","0.71073","MoKα","","0.0984","0.0737","","","0.2012","0.2234","","","","","","1.042","","","","has coordinates,has disorder","284629","2023-06-29","11:10:05",""
"7713313","20.283","0.002","11.3236","0.0011","29.017","0.003","90","","104.824","0.004","90","","6442.7","1.1","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H55 Cl F6 N3 P5 Ru S -","- C65.5 H55 Cl F6 N3 P5 Ru S -","- C262 H220 Cl4 F24 N12 P20 Ru4 S4 -","4","1","","Gonçalves, Yasmim G; Becceneri, Amanda B.; Graminha, Angelica E.; Miranda, Victor M.; Rios, Rafaella R.; Rinaldi-Neto, Francisco; Costa, Mônica S; Gonçalves, Ana C R; Deflon, Victor M.; Yoneyama, Kelly A. G.; Maia, Pedro I. S.; Franca, Eduardo F.; Cominetti, Márcia R; Silva, Roberto S.; Von Poelhsitz, Gustavo","New ruthenium(II) complexes with cyclic thio- and semicarbazone: evaluation of cytotoxicity and effects on cell migration and apoptosis of lung cancer cells.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00750b","","","0.71073","MoKα","","0.0803","0.0505","","","0.1116","0.1278","","","","","","1.017","","","","has coordinates,has disorder","284630","2023-06-29","11:11:01",""
"7713314","7.8675","0.0017","14.825","0.004","12.827","0.003","90","","90","","90","","1496.1","0.6","125","2","125","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 N2 Pt S4 -","- C14 H12 N2 Pt S4 -","- C56 H48 N8 Pt4 S16 -","4","0.5","","Pintus, Anna; Pilloni, Cristian; Pippia, Gabriele; Podda, Enrico; Carla Aragoni, M.; Lippolis, Vito; Aloukos, Panagiotis; Potamianos, Dionysios; Chazapis, Nikolaos; Couris, Stelios; Anyfantis, George C.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Arca, Massimiliano","A new class of third-order nonlinear optical materials: laser pulse-duration dependant saturable absorption and nonlinear refraction in platinum(II) diimine-dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00931a","","","0.71075","MoKα","","0.0254","0.0251","","","0.0656","0.0657","","","","","","1.131","","","","has coordinates,has disorder","284631","2023-06-29","11:11:38",""
"7713315","10.451","0.005","21.309","0.009","8.335","0.004","90","","110.331","0.016","90","","1740.6","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 Pt S4 -","- C16 H16 N2 Pt S4 -","- C64 H64 N8 Pt4 S16 -","4","1","","Pintus, Anna; Pilloni, Cristian; Pippia, Gabriele; Podda, Enrico; Carla Aragoni, M.; Lippolis, Vito; Aloukos, Panagiotis; Potamianos, Dionysios; Chazapis, Nikolaos; Couris, Stelios; Anyfantis, George C.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Arca, Massimiliano","A new class of third-order nonlinear optical materials: laser pulse-duration dependant saturable absorption and nonlinear refraction in platinum(II) diimine-dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00931a","","x-ray","0.71073","MoKα","","0.0337","0.0238","","","0.0488","0.0554","","","","","","1.103","","","","has coordinates","284631","2023-06-29","11:11:39",""
"7713316","6.785","0.0002","6.785","0.0002","7.7718","0.0003","90","","90","","90","","357.78","0.02","100","2","100","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- K3 Nb O8 -","- K3 Nb O8 -","- K6 Nb2 O16 -","2","0.125","","Talukdar, Hiya; Gogoi, Sandhya Rani; Sultana, Sazida Yasmin; Begum, Reshma; Dowerah, Dikshita; Sarma, Bipul; Islam, Nashreen S.","Oxido- and Mixed-Ligand Peroxido Complexes of Niobium(V) as Potent Phosphatase Inhibitors and Efficient Catalysts for Eco-Friendly Styrene Epoxidation","Dalton Transactions","2023","","","","","10.1039/D3DT01177A","","","0.71073","MoKα","","0.0071","0.0071","","","0.0178","0.0178","","","","","","1.133","","","","has coordinates","284632","2023-06-29","11:12:18",""
"7713317","22.377","0.0014","13.3328","0.0008","15.5757","0.0008","90","","90","","90","","4647","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H30 Nb2 O29 -","- C36 H30 Nb2 O29 -","- C144 H120 Nb8 O116 -","4","0.5","","Talukdar, Hiya; Gogoi, Sandhya Rani; Sultana, Sazida Yasmin; Begum, Reshma; Dowerah, Dikshita; Sarma, Bipul; Islam, Nashreen S.","Oxido- and Mixed-Ligand Peroxido Complexes of Niobium(V) as Potent Phosphatase Inhibitors and Efficient Catalysts for Eco-Friendly Styrene Epoxidation","Dalton Transactions","2023","","","","","10.1039/D3DT01177A","","","0.71073","MoKα","","0.0966","0.0495","","","0.1237","0.1481","","","","","","0.974","","","","has coordinates","284632","2023-06-29","11:12:18",""
"7713318","9.8987","0.0006","16.3369","0.0012","17.8274","0.0014","90","","90","","90","","2882.9","0.4","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.5 Bi Br6 N3 O S -","- C18 H27.5 Bi Br6 N3 O S -","- C72 H110 Bi4 Br24 N12 O4 S4 -","4","1","","Cao, Jindong; Liu, Kunjie; Quan, Mingzhen; Hou, An; Jiang, Xingxing; Lin, Zheshuai; Zhao, Jing; Liu, Quanlin","Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01209c","","","0.71073","MoKα","","0.0512","0.0376","","","0.0838","0.0891","","","","","","1.024","","","","has coordinates,has disorder","284633","2023-06-29","11:13:44",""
"7713319","9.9212","0.0003","16.2506","0.0005","17.7298","0.0005","90","","90","","90","","2858.5","0.15","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.23 Br6 N3 O S Sb -","- C18.01 H27.232 Br6 N3 O S Sb -","- C72.04 H108.928 Br24 N12 O4 S4 Sb4 -","4","1","","Cao, Jindong; Liu, Kunjie; Quan, Mingzhen; Hou, An; Jiang, Xingxing; Lin, Zheshuai; Zhao, Jing; Liu, Quanlin","Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01209c","","","0.71073","MoKα","","0.0472","0.0421","","","0.1102","0.1132","","","","","","1.037","","","","has coordinates,has disorder","284633","2023-06-29","11:13:47",""
"7713320","8.1461","0.0006","8.5293","0.0007","19.2202","0.0016","88.39","0.003","78.39","0.003","72.1","0.003","1243.97","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H41 Cl4 Cu2 F2 N8 O7.5 S2 -","- C46 H41 Cl4 Cu2 F2 N8 O7.5 S2 -","- C46 H41 Cl4 Cu2 F2 N8 O7.5 S2 -","1","0.5","","Singh, Karampal; Northcote-Smith, Joshua; Singh, Kuldip; Suntharalingam, Kogularamanan","Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01294h","","","1.54178","CuKα","","0.072","0.0631","","","0.1592","0.1712","","","","","","1.037","","","","has coordinates","284729","2023-06-30","22:46:48",""
"7713321","8.3057","0.0006","8.5238","0.0006","20.6586","0.0014","87.401","0.002","80.917","0.002","71.98","0.002","1373.36","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H22 Cl2 Cu F3 N5 O3 S -","- C26 H22 Cl2 Cu F3 N5 O3 S -","- C52 H44 Cl4 Cu2 F6 N10 O6 S2 -","2","1","","Singh, Karampal; Northcote-Smith, Joshua; Singh, Kuldip; Suntharalingam, Kogularamanan","Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01294h","","","1.54178","CuKα","","0.0562","0.054","","","0.146","0.148","","","","","","1.118","","","","has coordinates,has disorder","284729","2023-06-30","22:46:49",""
"7713322","7.7408","0.0005","8.5955","0.0006","19.5113","0.0013","86.001","0.003","78.691","0.003","72.651","0.003","1215","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H22 Cl2 Cu N4 O3 S -","- C24 H22 Cl2 Cu N4 O3 S -","- C48 H44 Cl4 Cu2 N8 O6 S2 -","2","1","","Singh, Karampal; Northcote-Smith, Joshua; Singh, Kuldip; Suntharalingam, Kogularamanan","Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01294h","","","1.54178","CuKα","","0.0518","0.0492","","","0.1448","0.1476","","","","","","1.077","","","","has coordinates","284729","2023-06-30","22:46:49",""
"7713323","14.013","0.003","13.767","0.003","24.041","0.005","90","","90","","90","","4637.9","1.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl2 Cu N4 O3 S -","- C23 H20 Cl2 Cu N4 O3 S -","- C184 H160 Cl16 Cu8 N32 O24 S8 -","8","1","","Singh, Karampal; Northcote-Smith, Joshua; Singh, Kuldip; Suntharalingam, Kogularamanan","Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01294h","","","0.71073","MoKα","","0.0622","0.0419","","","0.0909","0.0967","","","","","","0.949","","","","has coordinates","284729","2023-06-30","22:46:50",""
"7713324","7.729","0.0002","8.4595","0.0002","23.7162","0.0007","80.971","0.001","83.852","0.001","69.489","0.001","1432.07","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 Cl2 Cu N5 O3 S -","- C29 H25 Cl2 Cu N5 O3 S -","- C58 H50 Cl4 Cu2 N10 O6 S2 -","2","1","","Singh, Karampal; Northcote-Smith, Joshua; Singh, Kuldip; Suntharalingam, Kogularamanan","Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01294h","","","1.54178","CuKα","","0.0333","0.033","","","0.0898","0.0901","","","","","","1.052","","","","has coordinates,has disorder","284729","2023-06-30","22:46:50",""
"7713325","9.1686","0.0015","21.048","0.003","18.887","0.002","90","","92.029","0.01","90","","3642.5","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N5 Ni O13.5 S2 Y -","- C30 H28 N5 Ni O13.5 S2 Y -","- C120 H112 N20 Ni4 O54 S8 Y4 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0537","0.0365","","","0.0944","0.1024","","","","","","1.064","","","","has coordinates","287931","2023-12-01","12:37:00",""
"7713326","9.17","0.0007","21.0171","0.0014","18.867","0.0012","90","","92.063","0.005","90","","3633.8","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Er N5 Ni O13.5 S2 -","- C30 H28 Er N5 Ni O13.5 S2 -","- C120 H112 Er4 N20 Ni4 O54 S8 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0308","0.0238","","","0.0632","0.069","","","","","","1.041","","","","has coordinates","284730","2023-06-30","22:48:50",""
"7713327","9.1771","0.0006","21.0029","0.0015","18.8264","0.0014","90","","92.057","0.006","90","","3626.4","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N5 Ni O13.5 S2 Yb -","- C30 H28 N5 Ni O13.5 S2 Yb -","- C120 H112 N20 Ni4 O54 S8 Yb4 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0254","0.0213","","","0.0599","0.0632","","","","","","1.029","","","","has coordinates","284730","2023-06-30","22:48:50",""
"7713328","9.202","0.005","20.938","0.014","18.691","0.018","90","","92.06","0.03","90","","3599","5","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N5 Ni O13.5 S2 Tb -","- C30 H28 N5 Ni O13.5 S2 Tb -","- C120 H112 N20 Ni4 O54 S8 Tb4 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0349","0.0264","","","0.0659","0.0721","","","","","","1.075","","","","has coordinates","284730","2023-06-30","22:48:50",""
"7713329","9.1623","0.0013","21.061","0.003","18.972","0.003","90","","92.083","0.011","90","","3658.6","0.9","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Gd N5 Ni O13.5 S2 -","- C30 H28 Gd N5 Ni O13.5 S2 -","- C120 H112 Gd4 N20 Ni4 O54 S8 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0251","0.023","","","0.0697","0.0716","","","","","","1.043","","","","has coordinates","284730","2023-06-30","22:48:50",""
"7713330","9.1793","0.0015","21.01","0.004","18.88","0.003","90","","91.854","0.013","90","","3639.2","1.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Ho N5 Ni O13.5 S2 -","- C30 H28 Ho N5 Ni O13.5 S2 -","- C120 H112 Ho4 N20 Ni4 O54 S8 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0305","0.0237","","","0.0609","0.0658","","","","","","1.035","","","","has coordinates","284730","2023-06-30","22:48:50",""
"7713331","9.149","0.002","20.951","0.006","18.866","0.005","90","","92.069","0.008","90","","3613.9","1.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Dy N5 Ni O13.5 S2 -","- C30 H28 Dy N5 Ni O13.5 S2 -","- C120 H112 Dy4 N20 Ni4 O54 S8 -","4","1","","Dutta, Biswarup; Guizouarn, Thierry; Pointillart, Fabrice; Kotrle, Kamil; Herchel, Radovan; Ray, Debashis","Lanthanoid Coordination Prompts Unusually Distorted Pseudo-Octahedral NiII Coordination in Heterodinuclear Ni-Ln Complexes: Synthesis, Structure and Understanding of Magnetic Behaviour through Experiment and Computation","Dalton Transactions","2023","","","","","10.1039/D3DT01387A","","","0.71073","MoKα","","0.0393","0.0298","","","0.083","0.0894","","","","","","1.019","","","","has coordinates","284730","2023-06-30","22:48:50",""
"7713332","9.5264","0.0002","14.3056","0.0004","16.5364","0.0004","90","","90","","90","","2253.59","0.1","184.99","0.1","184.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cd I4 N2 -","- C10 H28 Cd I4 N2 -","- C40 H112 Cd4 I16 N8 -","4","1","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.0315","0.0281","","","0.0688","0.0714","","","","","","1.06","","","","has coordinates","284731","2023-06-30","22:51:01",""
"7713333","13.312","0.0005","9.6733","0.0003","33.478","0.0012","90","","90.115","0.003","90","","4311","0.3","229.97","0.1","229.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cd I4 N2 -","- C8 H24 Cd I4 N2 -","- C64 H192 Cd8 I32 N16 -","8","2","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.1568","0.1477","","","0.3453","0.3478","","","","","","1.108","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713334","13.8936","0.001","13.8936","0.001","13.8936","0.001","90","","90","","90","","2681.9","0.3","392.98","0.11","392.98","0.11","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 Cd I4 N2 -","- C12 Cd I3.9996 N2 -","- C48 Cd4 I15.9984 N8 -","4","0.0208333","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.253","0.1815","","","0.2956","0.3318","","","","","","0.949","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713335","13.3771","0.0007","9.7035","0.0006","16.8488","0.0012","90","","90","","90","","2187.1","0.2","273","0.1","273","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 Cd I4 N2 -","- C8 Cd I4 N2 -","- C32 Cd4 I16 N8 -","4","0.5","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.0669","0.0542","","","0.1573","0.1657","","","","","","1.074","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713336","9.9568","0.0002","19.3258","0.0003","13.4592","0.0002","90","","100.675","0.001","90","","2545.04","0.08","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cd I4 N2 -","- C12 H32 Cd I4 N2 -","- C48 H128 Cd4 I16 N8 -","4","1","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","","0.71073","MoKα","","0.0392","0.0337","","","0.0901","0.0927","","","","","","1.042","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713337","14.3623","0.0006","9.9781","0.0006","17.5752","0.0008","90","","90","","90","","2518.7","0.2","272.94","0.1","272.94","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H32 Cd I4 N2 -","- C12 H32 Cd I4 N2 -","- C48 H128 Cd4 I16 N8 -","4","0.5","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.0888","0.0764","","","0.2348","0.248","","","","","","1.169","","","","has coordinates,has disorder","284731","2023-06-30","22:51:02",""
"7713338","14.196","0.007","9.791","0.005","17.224","0.01","90","","90","","90","","2394","2","273","","273","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 Cd I4 N2 -","- C10 Cd I4 N2 -","- C40 Cd4 I16 N8 -","4","0.5","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","","0.71073","MoKα","","0.1481","0.0672","","","0.221","0.284","","","","","","1.028","","","","has coordinates","284731","2023-06-30","22:51:02",""
"7713339","16.2073","0.0001","16.2073","0.0001","16.2073","0.0001","90","","90","","90","","4257.28","0.05","296.14","0.1","296.14","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C6 H2 Cu N6 O6 Sr -","- C6 H2 Cu N6 O6 Sr -","- C72 H24 Cu12 N72 O72 Sr12 -","12","0.125","","Xing, Wenhao; Kang, Kaijin; Tang, Jian; Tang, Chunlan; Yin, Wenlong; Bin, Kang; Deng, Jianguo","Ultrastable 3D cage-like metal-organic frameworks constructed by polydentate cyanurate ligand and its gas adsorption properties","Dalton Transactions","2023","","","","","10.1039/D3DT01317K","","x-ray","1.54184","CuKα","","0.023","0.0212","","","0.0581","0.0587","","","","","","1.171","","","","has coordinates","284732","2023-06-30","22:51:57",""
"7713340","7.494","0.007","17.15","0.015","7.979","0.005","90","","93.56","0.05","90","","1023.5","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O10 Ru2 -","- C16 H26 O10 Ru2 -","- C32 H52 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","1.34138","GaKα","","0.0859","0.0458","","","0.097","0.1152","","","","","","1.027","","","","has coordinates","284749","2023-07-02","22:44:40",""
"7713341","8.408","0.019","17.66","0.04","8.367","0.019","90","","99.14","0.1","90","","1227","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F6 O10 Ru2 -","- C18 H24 F6 O10 Ru2 -","- C36 H48 F12 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","1.34138","GaKα","","0.1153","0.0899","","","0.2169","0.2306","","","","","","1.068","","","","has coordinates","284749","2023-07-02","22:44:40",""
"7713342","8.6541","0.0015","17.954","0.003","8.373","0.0014","90","","94.844","0.008","90","","1296.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F12 O10 Ru2 -","- C18 H18 F12 O10 Ru2 -","- C36 H36 F24 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","0.71073","MoKα","","0.1264","0.075","","","0.1804","0.2146","","","","","","1.074","","","","has coordinates","284749","2023-07-02","22:44:40",""
"7713343","7.904","0.0005","17.5442","0.0011","17.191","0.001","90","","110.411","0.003","90","","2234.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F6 O10 Ru2 -","- C16 H20 F6 O10 Ru2 -","- C64 H80 F24 O40 Ru8 -","4","1","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","1.34139","GaKα","","0.0535","0.0369","","","0.0926","0.0985","","","","","","1.054","","","","has coordinates","284749","2023-07-02","22:44:40",""
"7713344","8.703","0.0006","18.5622","0.0013","8.6999","0.0006","90","","98.218","0.003","90","","1391.01","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F12 O10 Ru2 -","- C20 H22 F12 O10 Ru2 -","- C40 H44 F24 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","0.71073","MoKα","","0.0598","0.0423","","","0.0925","0.102","","","","","","1.08","","","","has coordinates,has disorder","284749","2023-07-02","22:44:41",""
"7713345","7.8332","0.0008","17.5642","0.0017","16.97","0.002","90","","90.706","0.005","90","","2334.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O10 Ru2 -","- C18 H30 O10 Ru2 -","- C72 H120 O40 Ru8 -","4","1","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","0.71073","MoKα","","0.107","0.059","","","0.1409","0.1643","","","","","","0.999","","","","has coordinates","284749","2023-07-02","22:44:41",""
"7713346","9.314","0.015","17.92","0.03","8.011","0.015","90","","108.34","0.05","90","","1269","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl2 F6 O10 Ru2 -","- C16 H18 Cl2 F6 O10 Ru2 -","- C32 H36 Cl4 F12 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","1.34138","GaKα","","0.1567","0.074","","","0.1919","0.2295","","","","","","1.083","","","","has coordinates","284749","2023-07-02","22:44:41",""
"7713347","9.6765","0.0006","7.1727","0.0005","14.9719","0.0011","90","","119.223","0.002","90","","906.89","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O10 Ru2 -","- C14 H22 O10 Ru2 -","- C28 H44 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","0.71073","MoKα","","0.0315","0.0312","","","0.0816","0.0818","","","","","","1.144","","","","has coordinates","284749","2023-07-02","22:44:41",""
"7713348","11.899","0.004","14.482","0.004","15.387","0.004","65.673","0.008","87.772","0.009","75.159","0.01","2328.8","1.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F6 O10 Ru2 -","- C26 H24 F6 O10 Ru2 -","- C78 H72 F18 O30 Ru6 -","3","1.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","1.34139","GaKα","","0.0525","0.0478","","","0.1336","0.1366","","","","","","1.038","","","","has coordinates","284749","2023-07-02","22:44:41",""
"7713349","8.7048","0.0004","18.4734","0.0008","8.7051","0.0004","90","","99.066","0.002","90","","1382.36","0.11","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 F12 O10 Ru2 -","- C18 H16 Cl2 F12 O10 Ru2 -","- C36 H32 Cl4 F24 O20 Ru4 -","2","0.5","","Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin","A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond","Dalton Transactions","2023","","","","","10.1039/D3DT01302B","","","1.34139","GaKα","","0.0298","0.0272","","","0.0693","0.0707","","","","","","1.034","","","","has coordinates,has disorder","284749","2023-07-02","22:44:41",""
"7713350","13.2378","0.0006","11.4015","0.0005","21.397","0.0009","90","","92.19","0.002","90","","3227.1","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Co N6 O2 S2 -","- C36 H36 Co N6 O2 S2 -","- C144 H144 Co4 N24 O8 S8 -","4","1","","Lima, Sudhir; Pohle, Maximilian H.; Böhme, Michael; Görls, Helmar; Lohmiller, Thomas; Schnegg, Alexander; Dinda, Rupam; Plass, Winfried","Kink distortion of the pseudo-<i>S</i><sub>4</sub> axis in pseudotetrahedral [N<sub>2</sub>O<sub>2</sub>] bis-chelate cobalt(II) single-ion magnets leads to increased magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01604h","","","0.71073","MoKα","","0.1036","0.0712","","","0.1296","0.1417","","","","","","1.114","","","","has coordinates","284760","2023-07-03","22:49:37",""
"7713351","19.3224","0.0003","14.9633","0.0004","13.2176","0.0003","90","","101.407","0.001","90","","3746.08","0.14","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Co N6 O2 S2 -","- C38 H40 Co N6 O2 S2 -","- C152 H160 Co4 N24 O8 S8 -","4","0.5","","Lima, Sudhir; Pohle, Maximilian H.; Böhme, Michael; Görls, Helmar; Lohmiller, Thomas; Schnegg, Alexander; Dinda, Rupam; Plass, Winfried","Kink distortion of the pseudo-<i>S</i><sub>4</sub> axis in pseudotetrahedral [N<sub>2</sub>O<sub>2</sub>] bis-chelate cobalt(II) single-ion magnets leads to increased magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01604h","","","0.71073","MoKα","","0.0586","0.0513","","","0.1126","0.1165","","","","","","1.067","","","","has coordinates,has disorder","284760","2023-07-03","22:49:38",""
"7713352","12.1701","0.0014","16.7089","0.0018","21.257","0.002","90","","103.129","0.005","90","","4209.6","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 F5 N3 O Zn -","- C46 H50 F5 N3 O Zn -","- C184 H200 F20 N12 O4 Zn4 -","4","1","","Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio","Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.","Dalton Transactions","2023","","","","","10.1039/D3DT01492D","","","0.71073","MoKα","","0.1383","0.0989","","","0.2411","0.2701","","","","","","0.894","","","","has coordinates","284761","2023-07-03","22:50:30",""
"7713353","10.6039","0.0005","12.8166","0.0008","18.7166","0.0011","90","","102.083","0.002","90","","2487.3","0.2","193","2","193","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C48 H49 F18 N3 O2 Zn -","- C48 H49 F18 N3 O2 Zn -","- C96 H98 F36 N6 O4 Zn2 -","2","1","","Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio","Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.","Dalton Transactions","2023","","","","","10.1039/D3DT01492D","","","0.71073","MoKα","","0.0716","0.0549","","","0.1237","0.1321","","","","","","1.042","","","","has coordinates","284761","2023-07-03","22:50:31",""
"7713354","16.6388","0.001","20.2254","0.0013","15.4445","0.0009","90","","90","","90","","5197.5","0.5","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C53 H51 Cl2 F10 N3 O2 Zn -","- C53 H51 Cl2 F10 N3 O2 Zn -","- C212 H204 Cl8 F40 N12 O8 Zn4 -","4","0.5","","Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio","Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.","Dalton Transactions","2023","","","","","10.1039/D3DT01492D","","","0.71073","MoKα","","0.1172","0.076","","","0.1922","0.2109","","","","","","1.054","","","","has coordinates","284761","2023-07-03","22:50:31",""
"7713355","10.67","0.05","13.79","0.06","23.49","0.1","97.34","0.14","101.29","0.13","112.57","0.11","3050","2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cu2 I2 N4 P2 -","- C58 H42 Cu2 I2 N4 P2 -","- C116 H84 Cu4 I4 N8 P4 -","2","1","","Zhang, Xiaowen; Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Rotational isomerization: Spontaneous structural transformation of a thermally activated delayed fluorescence binuclear copper(I) complex","Dalton Transactions","2023","","","","","10.1039/D3DT01258A","","","0.71073","MoKα","","0.1463","0.0806","","","0.1441","0.1643","","","","","","1.067","","","","has coordinates","284762","2023-07-03","22:51:06",""
"7713356","12.3773","0.0003","16.0279","0.0004","12.3747","0.0003","90","","98.674","0.001","90","","2426.84","0.1","200","2","200.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Cu2 I2 N4 P2 -","- C58 H42 Cu2 I2 N4 P2 -","- C116 H84 Cu4 I4 N8 P4 -","2","0.5","","Zhang, Xiaowen; Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Rotational isomerization: Spontaneous structural transformation of a thermally activated delayed fluorescence binuclear copper(I) complex","Dalton Transactions","2023","","","","","10.1039/D3DT01258A","","","0.71073","MoKα","","0.02","0.0173","","","0.0413","0.0428","","","","","","1.047","","","","has coordinates","284762","2023-07-03","22:51:07",""
"7713357","14.5103","0.001","14.0161","0.0009","15.424","0.001","90","","90","","90","","3136.9","0.4","120","","120","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C15 H20 Cu N O6 -","- C15 H20 Cu N O6 -","- C120 H160 Cu8 N8 O48 -","8","1","","Li, Xianzhen; Cao, Chen; Fan, Ziwen; Liu, Jianfa; Pham, Tony; Forrest, Katherine A.; Niu, Zheng","An aliphatic MOF with a molecular sieving effect for efficient C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01419c","","","1.34138","GaKα","","0.098","0.0895","","","0.2169","0.2204","","","","","","1.119","","","","has coordinates","284763","2023-07-03","22:51:46",""
"7713358","14.429","0.003","15.544","0.003","28.11","0.005","90","","90","","90","","6305","2","120","","120","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C31 H33 Cu2 N2 O8 -","- C31 H33 Cu2 N2 O8 -","- C248 H264 Cu16 N16 O64 -","8","0.5","","Li, Xianzhen; Cao, Chen; Fan, Ziwen; Liu, Jianfa; Pham, Tony; Forrest, Katherine A.; Niu, Zheng","An aliphatic MOF with a molecular sieving effect for efficient C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01419c","","","1.34139","GaKα","","0.0483","0.0408","","","0.1157","0.1204","","","","","","1.092","","","","has coordinates","284763","2023-07-03","22:51:46",""
"7713359","15.409","0.004","15.452","0.004","30.223","0.008","86.93","0.009","76.805","0.009","89.921","0.008","6996","3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H114 N6 Nd6 O34 P9 -","- C130 H114 N6 Nd6 O34 P9 -","- C260 H228 N12 Nd12 O68 P18 -","2","1","","Qu, Yi-Ping; Huang, Xin-Da; Xu, Kui; Bao, Song-Song; Zheng, Li-Min","Octahedral lanthanide clusters containing a central PO43- anion: structures, luminescent, magnetic and relaxometric properties","Dalton Transactions","2023","","","","","10.1039/D3DT01542D","","","0.71073","MoKα","","0.0674","0.0529","","","0.126","0.1361","","","","","","1.03","","","","has coordinates,has disorder","284785","2023-07-04","22:58:08",""
"7713360","15.1416","0.0006","15.5649","0.0006","29.6646","0.001","87.021","0.001","76.123","0.001","89.683","0.001","6777.9","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H114 Dy6 N6 O34 P9 -","- C130 H114 Dy6 N6 O34 P9 -","- C260 H228 Dy12 N12 O68 P18 -","2","1","","Qu, Yi-Ping; Huang, Xin-Da; Xu, Kui; Bao, Song-Song; Zheng, Li-Min","Octahedral lanthanide clusters containing a central PO43- anion: structures, luminescent, magnetic and relaxometric properties","Dalton Transactions","2023","","","","","10.1039/D3DT01542D","","","0.71073","MoKα","","0.0849","0.0588","","","0.1232","0.1366","","","","","","1.027","","","","has coordinates,has disorder","284785","2023-07-04","22:58:09",""
"7713361","15.2645","0.0007","15.4068","0.0007","29.8145","0.0013","86.674","0.002","76.792","0.002","89.442","0.002","6814.7","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H114 Gd6 N6 O34 P9 -","- C130 H114 Gd6 N6 O34 P9 -","- C260 H228 Gd12 N12 O68 P18 -","2","1","","Qu, Yi-Ping; Huang, Xin-Da; Xu, Kui; Bao, Song-Song; Zheng, Li-Min","Octahedral lanthanide clusters containing a central PO43- anion: structures, luminescent, magnetic and relaxometric properties","Dalton Transactions","2023","","","","","10.1039/D3DT01542D","","","1.34138","GaKα","","0.0718","0.0486","","","0.1154","0.1246","","","","","","1.046","","","","has coordinates,has disorder","284785","2023-07-04","22:58:09",""
"7713362","15.2613","0.0005","15.4055","0.0005","29.8204","0.0011","86.6461","0.0018","76.7584","0.0016","89.421","0.0016","6812.9","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H114 Ho6 N6 O34 P9 -","- C130 H114 Ho6 N6 O34 P9 -","- C260 H228 Ho12 N12 O68 P18 -","2","1","","Qu, Yi-Ping; Huang, Xin-Da; Xu, Kui; Bao, Song-Song; Zheng, Li-Min","Octahedral lanthanide clusters containing a central PO43- anion: structures, luminescent, magnetic and relaxometric properties","Dalton Transactions","2023","","","","","10.1039/D3DT01542D","","","0.71073","MoKα","","0.0781","0.0586","","","0.1319","0.1458","","","","","","1.02","","","","has coordinates,has disorder","284785","2023-07-04","22:58:09",""
"7713363","15.0654","0.0013","15.4217","0.0011","29.528","0.002","87.256","0.002","76.447","0.003","89.445","0.003","6661.7","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H114 N6 O34 P9 Yb6 -","- C130 H114 N6 O34 P9 Yb6 -","- C260 H228 N12 O68 P18 Yb12 -","2","1","","Qu, Yi-Ping; Huang, Xin-Da; Xu, Kui; Bao, Song-Song; Zheng, Li-Min","Octahedral lanthanide clusters containing a central PO43- anion: structures, luminescent, magnetic and relaxometric properties","Dalton Transactions","2023","","","","","10.1039/D3DT01542D","","","0.71073","MoKα","","0.0727","0.0564","","","0.1309","0.1427","","","","","","1.015","","","","has coordinates,has disorder","284785","2023-07-04","22:58:09",""
"7713364","7.3761","0.0007","8.4798","0.0007","14.8502","0.0014","91.382","0.003","92.267","0.003","107.566","0.003","884.21","0.14","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N6 Ni S4 -","- C32 H38 N6 Ni S4 -","- C32 H38 N6 Ni S4 -","1","0.5","","Xu, Lei; Wang, Yi-Ming; Feng, Zi-Heng; Qian, Yin; Gao, Yan; Tian, Zheng-Fang; Ren, Xiao-Ming","Thermochromism of rapid responses to temperature changes <i>versus</i> mechanochromism in a Ni-dithiolene complex salt.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8918","8926","10.1039/d3dt01401k","","","0.71073","MoKα","","0.1155","0.0593","","","0.1414","0.1553","","","","","","1.022","","","","has coordinates","284786","2023-07-04","22:58:49",""
"7713365","42.9654","0.0002","33.9313","0.0002","15.7798","0.0001","90","","96.768","0.001","90","","22844.6","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C92 H68 F6 Ir2 N16 P -","- C92 H68 F6 Ir2 N16 P -","- C736 H544 F48 Ir16 N128 P8 -","8","1","","Gitlina, Anastasia Yu; Khistiaeva, Viktoria; Melnikov, Alexey; Ivonina, Mariia; Sizov, Vladimir; Spiridonova, Dar'ya; Makarova, Anna; Vyalikh, Denis; Grachova, Elena","Organometallic Ir(III) complexes: post-synthetic modification, photophysical properties and binuclear complex construction.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8986","8997","10.1039/d3dt00901g","","x-ray","1.54184","CuKα","","0.0359","0.0344","","","0.0947","0.0964","","","","","","1.046","","","","has coordinates,has disorder","284787","2023-07-04","23:00:03",""
"7713366","21.4369","0.0009","21.9078","0.0009","22.066","0.0009","105.596","0.003","111.468","0.002","95.527","0.003","9067.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C343 H510.5 Cu16 N25.5 O68 -","- C301 H404 Cu16 N11.5 O52 -","- C301 H404 Cu16 N11.5 O52 -","1","0.5","","Wilson, Lucinda R. B.; Coletta, Marco; Singh, Mukesh K.; Teat, Simon J.; Brookfield, Adam; Shanmugam, Muralidharan; McInnes, Eric J. L.; Piligkos, Stergios; Dalgarno, Scott J.; Brechin, Euan K.","A bis-calix[4]arene-supported [CuII16] cage.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8956","8963","10.1039/d3dt01448g","","","0.7749","synchrotron","","0.0857","0.0566","","","0.1416","0.1551","","","","","","1.052","","","","has coordinates,has disorder","284788","2023-07-04","23:00:36",""
"7713367","22.2582","0.0005","9.3625","0.0003","11.5564","0.0004","90","","92.508","0.003","90","","2405.96","0.13","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H48 Br10 N4 O12 Pb3 -","- C20 H48 Br10 N4 O12 Pb3 -","- C40 H96 Br20 N8 O24 Pb6 -","2","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta; Dascalu, Andrei; Shova, Sergiu; Gural'skiy, Il'ya A.","Structural diversity in proline-based lead bromide chiral perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02056H","","x-ray","0.71073","MoKα","","0.0698","0.0427","","","0.0588","0.0675","","","","","","0.997","","","","has coordinates","284789","2023-07-04","23:01:11",""
"7713368","7.7757","0.0003","15.305","0.0005","11.4543","0.0005","90","","107.668","0.004","90","","1298.84","0.09","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H12 Br3 N O3 Pb -","- C5 H12 Br3 N O3 Pb -","- C20 H48 Br12 N4 O12 Pb4 -","4","2","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta; Dascalu, Andrei; Shova, Sergiu; Gural'skiy, Il'ya A.","Structural diversity in proline-based lead bromide chiral perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02056H","","x-ray","0.71073","MoKα","","0.077","0.0432","","","0.049","0.0585","","","","","","0.936","","","","has coordinates","284789","2023-07-04","23:01:11",""
"7713369","8.8925","0.0005","21.1262","0.001","34.302","0.002","90","","94.643","0.005","90","","6423","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 Cl2 Cu N7 O2 -","- C31 H37 Cl2 Cu N7 O2 -","- C248 H296 Cl16 Cu8 N56 O16 -","8","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","1.54178","CuKα","","0.1282","0.0751","","","0.1787","0.2103","","","","","","1.019","","","","has coordinates","284790","2023-07-04","23:03:10",""
"7713370","9.0922","0.0004","10.7884","0.0005","13.2927","0.0007","72.853","0.004","81.357","0.004","75.773","0.004","1203.45","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Br N2 O4 -","- C25 H29 Br N2 O4 -","- C50 H58 Br2 N4 O8 -","2","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.1012","0.0532","","","0.1358","0.1577","","","","","","1.081","","","","has coordinates","284790","2023-07-04","23:03:12",""
"7713371","9.8729","0.0002","9.923","0.0002","16.4367","0.0004","77.4544","0.001","76.652","0.0012","85.2866","0.001","1528.5","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H35 Cl2 Cu N7 O2 -","- C30 H35 Cl2 Cu N7 O2 -","- C60 H70 Cl4 Cu2 N14 O4 -","2","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.0756","0.0402","","","0.0853","0.0945","","","","","","1.021","","","","has coordinates","284790","2023-07-04","23:03:12",""
"7713372","9.113","0.0002","10.6532","0.0002","16.7093","0.0005","108.205","0.0011","100.24","0.001","92.5769","0.0007","1507.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17.5 H16 N2 O0.5 S -","- C17.5 H16 N2 O0.5 S -","- C70 H64 N8 O2 S4 -","4","2","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.0554","0.0425","","","0.0979","0.1074","","","","","","1.044","","","","has coordinates","284790","2023-07-04","23:03:12",""
"7713373","8.0799","0.0003","15.5637","0.0005","15.6684","0.0006","90","","90","","90","","1970.35","0.12","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Br N5 -","- C24 H20 Br N5 -","- C96 H80 Br4 N20 -","4","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.0703","0.048","","","0.1145","0.1227","","","","","","1.014","","","","has coordinates","284790","2023-07-04","23:03:12",""
"7713374","11.5688","0.0012","10.849","0.001","27.689","0.005","90","","99.143","0.011","90","","3431.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Br2 N4 O3 -","- C39 H36 Br2 N4 O3 -","- C156 H144 Br8 N16 O12 -","4","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.1491","0.057","","","0.1195","0.151","","","","","","0.907","","","","has coordinates","284790","2023-07-04","23:03:12",""
"7713375","17.514","0.004","10.42","0.002","18.168","0.004","90","","90.55","0.03","90","","3315.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br Cl2 Cu N7 O3 -","- C30 H36 Br Cl2 Cu N7 O3 -","- C120 H144 Br4 Cl8 Cu4 N28 O12 -","4","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","1.54178","CuKα","","0.0296","0.0256","","","0.0657","0.0671","","","","","","1.044","","","","has coordinates,has disorder","284790","2023-07-04","23:03:12",""
"7713376","11.5481","0.0007","11.5707","0.0007","20.2679","0.0013","79.717","0.005","89.452","0.005","64.211","0.004","2392.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br Cl2 N5 -","- C26 H24 Br Cl2 N5 -","- C104 H96 Br4 Cl8 N20 -","4","2","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.0922","0.0579","","","0.1586","0.1795","","","","","","1.058","","","","has coordinates","284790","2023-07-04","23:03:13",""
"7713377","7.632","0.0008","11.6124","0.0012","16.5842","0.0017","90.668","0.003","93.199","0.003","105.631","0.003","1412.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cl Cu N5 O2 -","- C29 H34 Cl Cu N5 O2 -","- C58 H68 Cl2 Cu2 N10 O4 -","2","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.0477","0.0379","","","0.0913","0.0966","","","","","","1.039","","","","has coordinates","284790","2023-07-04","23:03:13",""
"7713378","7.7269","0.0001","12.0436","0.0001","13.6225","0.0002","72.75","0.001","87.487","0.001","74.1","0.001","1163.4","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Ag2 N6 O12 -","- C41 H44 Ag2 N6 O12 -","- C41 H44 Ag2 N6 O12 -","1","0.5","","Debnath, Ananya; Diyali, Sangharaj; Das, Mainak; Panda, Subhra Jyoti; Mondal, Debasish; Dhak, Debasis; Purohit, Chandra Shekhar; Ray, Partha Pratim; Biswas, Bhaskar","Harnessing the hydrogen evolution reaction (HER) through the electrical mobility of an embossed Ag(I)-molecular cage and a Cu(II)-coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8850","8856","10.1039/d3dt01073b","","x-ray","0.71073","MoKα","","0.0682","0.0524","","","0.1497","0.1609","","","","","","1.066","","","","has coordinates,has disorder","284791","2023-07-04","23:04:25",""
"7713379","11.4097","0.0008","10.5099","0.0006","12.2374","0.001","90","","117.109","0.01","90","","1306.2","0.2","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C3.5 H5.5 Cu N2 O1.5 S -","- C3.5 H5.5 Cu N2 O1.5 S -","- C28 H44 Cu8 N16 O12 S8 -","8","1","","Debnath, Ananya; Diyali, Sangharaj; Das, Mainak; Panda, Subhra Jyoti; Mondal, Debasish; Dhak, Debasis; Purohit, Chandra Shekhar; Ray, Partha Pratim; Biswas, Bhaskar","Harnessing the hydrogen evolution reaction (HER) through the electrical mobility of an embossed Ag(I)-molecular cage and a Cu(II)-coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8850","8856","10.1039/d3dt01073b","","x-ray","0.71073","MoKα","","0.0495","0.0386","","","0.093","0.0993","","","","","","1.029","","","","has coordinates,has disorder","284791","2023-07-04","23:04:25",""
"7713380","9.3636","0.0002","9.3636","0.0002","18.1008","0.0003","90","","90","","120","","1374.4","0.05","120","","120","","","","","","","","","5","P 32 2 1","P 32 2""","154","","[Cu(chxn)2I]I","","- C12 H28 Cu I2 N4 -","- C12 H28 Cu I2 N4 -","- C36 H84 Cu3 I6 N12 -","3","0.5","","Wakizaka, Masanori; Arczyński, Mirosław; Gupta, Shraddha; Takaishi, Shinya; Yamashita, Masahiro","Spin dynamics in a Heisenberg weak antiferromagnetic chain of an iodide-bridged Cu(II) complex","Dalton Transactions","2023","","","","","10.1039/D3DT01840G","","x-ray","0.71073","MoKα","","0.0136","0.0132","","","0.0318","0.032","","","","","","1.06","","","","has coordinates","284792","2023-07-04","23:04:51",""
"7713381","13.2078","0.0017","10.4518","0.0014","14.7158","0.0019","90","","105.951","0.005","90","","1953.2","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N6 Ni S2 -","- C20 H14 N6 Ni S2 -","- C80 H56 N24 Ni4 S8 -","4","1","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0784","0.0491","","0.1106","0.1015","0.1015","","","","","","1","","","","has coordinates","284793","2023-07-04","23:06:57",""
"7713382","7.29","0.0013","10.3529","0.0017","16.582","0.003","81.942","0.005","85.59","0.005","70.476","0.005","1167.3","0.4","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 F6 N6 Ni S2 -","- C22 H12 F6 N6 Ni S2 -","- C44 H24 F12 N12 Ni2 S4 -","2","1","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0536","0.0442","","0.0831","0.0824","0.0824","","","","","","0.9999","","","","has coordinates","284793","2023-07-04","23:06:58",""
"7713383","17.4521","0.0012","14.4468","0.001","9.2977","0.0005","90","","97.804","0.002","90","","2322.5","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N6 Ni S2 -","- C22 H22 N6 Ni S2 -","- C88 H88 N24 Ni4 S8 -","4","1","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0615","0.0449","","0.0863","0.0817","0.0817","","","","","","0.9999","","","","has coordinates","284793","2023-07-04","23:06:58",""
"7713384","17.394","0.005","8.392","0.002","18.918","0.005","90","","112.794","0.009","90","","2545.8","1.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N6 Ni S2 -","- C26 H26 N6 Ni S2 -","- C104 H104 N24 Ni4 S8 -","4","1","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0866","0.0402","","0.0913","0.0664","0.0664","","","","","","1.0001","","","","has coordinates","284793","2023-07-04","23:06:58",""
"7713385","7.6206","0.0004","31.1326","0.0015","11.3631","0.0006","90","","109.423","0.0018","90","","2542.5","0.2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 F6 N6 Ni S2 -","- C24 H16 F6 N6 Ni S2 -","- C96 H64 F24 N24 Ni4 S8 -","4","1","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0769","0.066","","0.1261","0.1228","0.1228","","","","","","1","","","","has coordinates,has disorder","284793","2023-07-04","23:06:58",""
"7713386","13.27","0.0005","12.5322","0.0005","21.6315","0.0008","90","","94.525","0.002","90","","3586.2","0.2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N9 Ni O3 S3 -","- C27 H41 N9 Ni O3 S3 -","- C108 H164 N36 Ni4 O12 S12 -","4","1","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0888","0.0547","","0.0994","0.0862","0.0862","","","","","","0.9999","","","","has coordinates","284793","2023-07-04","23:06:58",""
"7713387","18.2867","0.001","18.2867","0.001","32.7273","0.0019","90","","90","","120","","9477.9","0.9","295","","295","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H102 Cl18 N24 Ni6 S12 -","- C81 H102 Cl18 N24 Ni6 S12 -","- C243 H306 Cl54 N72 Ni18 S36 -","3","0.166667","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.077","0.0594","","0.1357","0.1308","0.1308","","","","","","0.9998","","","","has coordinates,has disorder","284793","2023-07-04","23:06:58",""
"7713388","38.267","0.006","14.165","0.002","20.809","0.003","90","","110.325","0.004","90","","10577","3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H61.5 F24 N28.5 Ni4 S8 -","- C89 H61.5 F24 N28.5 Ni4 S8 -","- C356 H246 F96 N114 Ni16 S32 -","4","0.5","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0859","0.0587","","0.0917","0.0877","0.0877","","","","","","1","","","","has coordinates,has disorder","284793","2023-07-04","23:06:58",""
"7713389","20.132","0.002","11.9175","0.0016","28.727","0.004","90","","90","","90","","6892.3","1.5","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H58 F18 N14 Ni2 O2 S6 -","- C47 H58 F18 N14 Ni2 O2 S6 -","- C188 H232 F72 N56 Ni8 O8 S24 -","4","0.5","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0754","0.0558","","0.0839","0.0823","0.0823","","","","","","1.0001","","","","has coordinates,has disorder","284793","2023-07-04","23:06:58",""
"7713390","30.46","0.03","10.531","0.007","15.734","0.014","90","","116.17","0.04","90","","4530","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Co2 N6 O9 -","- C46 H46 Co2 N6 O9 -","- C184 H184 Co8 N24 O36 -","4","0.5","","Podder, Nirmalya; Saha, Anannya; Barman, Suman K.; Mandal, Sukanta","Flavonol dioxygenation catalysed by cobalt(II) complexes supported with 3N(COO) and 4N donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00833A","","","0.71073","MoKα","","0.1299","0.0779","","","0.1871","0.2331","","","","","","1.013","","","","has coordinates","284794","2023-07-04","23:08:24",""
"7713391","10.4596","0.0006","12.6026","0.0007","13.7868","0.0009","103.291","0.002","95.981","0.002","113.429","0.002","1583.44","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H29 Cl2 Co F6 N4 O2 P -","- C28 H29 Cl2 Co F6 N4 O2 P -","- C56 H58 Cl4 Co2 F12 N8 O4 P2 -","2","1","","Podder, Nirmalya; Saha, Anannya; Barman, Suman K.; Mandal, Sukanta","Flavonol dioxygenation catalysed by cobalt(II) complexes supported with 3N(COO) and 4N donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00833A","","","0.71073","MoKα","","0.0696","0.0616","","","0.1885","0.1965","","","","","","1.035","","","","has coordinates","284794","2023-07-04","23:08:25",""
"7713392","11.329","0.009","12.326","0.01","15.02","0.012","93.25","0.02","104.03","0.02","105.307","0.018","1946","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H66 Cl2 Co2 N8 O17 -","- C80 H66 Cl2 Co2 N8 O17 -","- C80 H66 Cl2 Co2 N8 O17 -","1","0.5","","Podder, Nirmalya; Saha, Anannya; Barman, Suman K.; Mandal, Sukanta","Flavonol dioxygenation catalysed by cobalt(II) complexes supported with 3N(COO) and 4N donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00833A","","","0.71073","MoKα","","0.0728","0.0536","","","0.1568","0.1729","","","","","","1.03","","","","has coordinates","284794","2023-07-04","23:08:25",""
"7713393","8.9086","0.0003","10.8155","0.0004","11.992","0.0004","63.673","0.001","70.031","0.001","76.398","0.001","968.51","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H56 F6 N4 O10 P2 -","- C30 H56 F6 N4 O10 P2 -","- C30 H56 F6 N4 O10 P2 -","1","0.5","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0415","0.0339","","","0.0876","0.093","","","","","","1.042","","","","has coordinates,has disorder","284796","2023-07-04","23:11:30",""
"7713394","8.1091","0.0003","19.7189","0.0008","10.8818","0.0005","90","","90.755","0.002","90","","1739.88","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 F6 N4 O12 P2 -","- C24 H48 F6 N4 O12 P2 -","- C48 H96 F12 N8 O24 P4 -","2","0.5","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0376","0.0317","","","0.0804","0.0842","","","","","","1.033","","","","has coordinates","284796","2023-07-04","23:11:31",""
"7713395","9.8024","0.0003","10.5793","0.0003","13.9063","0.0004","86.524","0.001","83.31","0.001","72.321","0.001","1364.17","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H35 Cl Cu F6 N4 O10 P2 -","- C16 H35 Cl Cu F6 N4 O10 P2 -","- C32 H70 Cl2 Cu2 F12 N8 O20 P4 -","2","1","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0294","0.0276","","","0.0673","0.0685","","","","","","1.04","","","","has coordinates","284796","2023-07-04","23:11:31",""
"7713396","15.9852","0.0006","12.6453","0.0005","12.6956","0.0004","90","","102.111","0.0012","90","","2509.15","0.16","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 Br0.46 Cl0.54 Cu F6 N5 O4 P2 -","- C16 H34 Br0.46 Cl0.54 Cu F6 N5 O4 P2 -","- C64 H136 Br1.84 Cl2.16 Cu4 F24 N20 O16 P8 -","4","0.5","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0275","0.025","","","0.0648","0.066","","","","","","1.164","","","","has coordinates","284796","2023-07-04","23:11:31",""
"7713397","9.6825","0.0003","13.409","0.0004","20.7058","0.0005","90","","92.318","0.001","90","","2686.09","0.13","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 F6 N4 Ni O7.5 P2 -","- C16 H32 F6 N4 Ni O5 P2 -","- C64 H128 F24 N16 Ni4 O20 P8 -","4","1","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0278","0.0241","","","0.0592","0.0608","","","","","","1.028","","","","has coordinates","284796","2023-07-04","23:11:31",""
"7713398","7.5425","0.0004","9.9805","0.0005","11.3345","0.0005","71.923","0.001","72.722","0.001","69.534","0.001","742.71","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H42 Cl2 F6 N4 O8 P2 -","- C16 H42 Cl2 F6 N4 O8 P2 -","- C16 H42 Cl2 F6 N4 O8 P2 -","1","0.5","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","1.54178","CuKα","","0.0264","0.0261","","","0.0698","0.0701","","","","","","1.05","","","","has coordinates","284796","2023-07-04","23:11:31",""
"7713399","9.734","0.0002","13.3794","0.0003","20.7034","0.0004","90","","93.672","0.001","90","","2690.77","0.1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H37 F6 N4 O6.5 P2 Zn -","- C17.5 H37 F6 N4 O6.5 P2 Zn -","- C70 H148 F24 N16 O26 P8 Zn4 -","4","1","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0268","0.0253","","","0.0643","0.0651","","","","","","1.066","","","","has coordinates,has disorder","284796","2023-07-04","23:11:31",""
"7713400","10.0011","0.0004","10.5012","0.0004","13.4258","0.0005","85.725","0.001","71.907","0.001","76.141","0.001","1301.29","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 Cu F6 N4 O7 P2 -","- C16 H36 Cu F6 N4 O7 P2 -","- C32 H72 Cu2 F12 N8 O14 P4 -","2","1","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0301","0.0256","","","0.0615","0.0634","","","","","","1.056","","","","has coordinates","284796","2023-07-04","23:11:31",""
"7713401","9.4863","0.0006","11.7783","0.0006","13.6581","0.0008","99.947","0.002","90.009","0.002","99.799","0.002","1480.5","0.15","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H44 Cl F6 Li N4 O10 P2 -","- C16 H44 Cl F6 Li N4 O10 P2 -","- C32 H88 Cl2 F12 Li2 N8 O20 P4 -","2","1","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0424","0.0387","","","0.1043","0.1077","","","","","","1.065","","","","has coordinates,has disorder","284796","2023-07-04","23:11:31",""
"7713402","12.3608","0.0004","11.3394","0.0004","21.7985","0.0008","90","","90.019","0.002","90","","3055.37","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 F24 N4 O18 P2 -","- C42 H54 F24 N4 O18 P2 -","- C84 H108 F48 N8 O36 P4 -","2","0.5","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","1.54178","CuKα","","0.0864","0.0729","","","0.2061","0.2216","","","","","","1.046","","","","has coordinates,has disorder","284796","2023-07-04","23:11:31",""
"7713403","36.5804","0.0009","36.5804","0.0009","15.8953","0.0005","90","","90","","90","","21269.9","1","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C35.5 H58.4 Cu2 F6.6 N4 O12.5 P2 -","- C35.5 H58.4 Cu2 F6.6 N4 O12.5 P2 -","- C568 H934.4 Cu32 F105.6 N64 O200 P32 -","16","1","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0698","0.0493","","","0.1366","0.1473","","","","","","1.106","","","","has coordinates,has disorder","284796","2023-07-04","23:11:31",""
"7713404","21.9609","0.0012","10.491","0.0005","25.9042","0.0014","90","","111.54","0.002","90","","5551.3","0.5","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl Co F6 Li N4 O7 P2 -","- C16 H36 Cl Co F6 Li N4 O7 P2 -","- C128 H288 Cl8 Co8 F48 Li8 N32 O56 P16 -","8","2","","Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01420g","","","0.71073","MoKα","","0.0335","0.0322","","","0.0891","0.0902","","","","","","1.037","","","","has coordinates","284796","2023-07-04","23:11:32",""
"7713405","13.155","0.003","14.354","0.003","24.759","0.006","106.34","0.013","90.908","0.012","115.959","0.011","3981","1.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C89 H84 B2 Cl6 Dy N7 O2 -","- C87 H80 B2 Cl2 Dy N7 O2 -","- C174 H160 B4 Cl4 Dy2 N14 O4 -","2","1","","Zhang, Ben; Zhou, Yang; Dong, Chang; Xiang, Yi; Shi, Yanbo; Zhang, Chennan; Yuan, Aihua; Zheng, Shaojun; Li, Zhaoyang; Zhang, Yi-Quan; Yang, Yong; Chen, Lei","Boosting mono-axial crystal field in stable high-coordinate Dy(III) single-ion magnets by substitution of phenoxy axial ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01318A","","","0.71073","MoKα","","0.0415","0.0334","","","0.0852","0.09","","","","","","1.0375","","","","has coordinates","285004","2023-07-05","22:57:36",""
"7713406","20.136","0.008","13.581","0.005","27.587","0.011","90","","91.308","0.01","90","","7542","5","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87.85 H81.7 B2 Cl1.7 Dy N7 O -","- C87.85 H81.7 B2 Cl1.7 Dy N7 O -","- C351.4 H326.8 B8 Cl6.8 Dy4 N28 O4 -","4","1","","Zhang, Ben; Zhou, Yang; Dong, Chang; Xiang, Yi; Shi, Yanbo; Zhang, Chennan; Yuan, Aihua; Zheng, Shaojun; Li, Zhaoyang; Zhang, Yi-Quan; Yang, Yong; Chen, Lei","Boosting mono-axial crystal field in stable high-coordinate Dy(III) single-ion magnets by substitution of phenoxy axial ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01318A","","","0.71073","MoKα","","0.0479","0.0297","","","0.0614","0.0693","","","","","","1.0501","","","","has coordinates","285004","2023-07-05","22:57:37",""
"7713407","8.8463","0.0003","18.8634","0.0007","20.8662","0.0007","113.665","0.001","95.571","0.001","102.23","0.001","3051.6","0.19","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 Eu3 N6 O16 S3 -","- C60 H32 Eu3 N6 O16 S3 -","- C120 H64 Eu6 N12 O32 S6 -","2","1","","Wang, Li; Zhu, Yulian; Zheng, Teng-Fei; Zhu, Zi-Hao; Peng, Yan; Wu, Yongquan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","A highly stable chain-based EuIII metal-organic framework as the turn-on and blue-shift luminescent sensor for dipicolinic acid","Dalton Transactions","2023","","","","","10.1039/D3DT01057K","","","0.71073","MoKα","","0.0263","0.0205","","","0.0457","0.0477","","","","","","1.047","","","","has coordinates,has disorder","285071","2023-07-06","22:53:00",""
"7713408","10.5489","0.0003","11.209","0.0003","11.2509","0.0003","84.919","0.002","68.177","0.002","82.378","0.002","1222.97","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl2 Er N O8 -","- C24 H18 Cl2 Er N O8 -","- C48 H36 Cl4 Er2 N2 O16 -","2","1","","Gou, Xiaoshuang; Liu, Ning; Wu, Yuewei; Lan, Wen-Long; Wang, Mengmeng; Shi, Wei; Cheng, Peng","Modulation of magnetization dynamics of an Er(III) coordination polymer by conversion of the ligand to radical by UV light","Dalton Transactions","2023","","","","","10.1039/D3DT01800H","","x-ray","0.71073","MoKα","","0.0373","0.029","","","0.0537","0.0557","","","","","","1.03","","","","has coordinates,has disorder","285072","2023-07-06","22:53:32",""
"7713409","14.8651","0.0004","20.3306","0.0005","19.4606","0.0005","90","","98.435","0.002","90","","5817.7","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H100 F12 Gd6 N18 O32 -","- C94 H100 F12 Gd6 N18 O32 -","- C188 H200 F24 Gd12 N36 O64 -","2","0.5","","Kumar, Pawan; Kalita, Pankaj; Palacios, Maria A.; Kumar, Vierandra; Acharya, Joydev; Colacio, Enrique; Chandrasekhar, Vadapalli","Synthesis, Structures and Magnetic studies of Hexanuclear Lanthanide Complexes: SMM behavior in DyIII analogue and MCE properties in the GdIII analogue","Dalton Transactions","2023","","","","","10.1039/D3DT01489D","","x-ray","0.71073","MoKα","","0.0911","0.0591","","","0.1406","0.1621","","","","","","1.03","","","","has coordinates,has disorder","285073","2023-07-06","22:55:01",""
"7713410","14.8051","0.0004","20.1675","0.0005","19.4036","0.0005","90","","97.575","0.002","90","","5743","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H108 Er6 F12 N18 O34 -","- C96 H108 Er6 F12 N18 O34 -","- C192 H216 Er12 F24 N36 O68 -","2","0.5","","Kumar, Pawan; Kalita, Pankaj; Palacios, Maria A.; Kumar, Vierandra; Acharya, Joydev; Colacio, Enrique; Chandrasekhar, Vadapalli","Synthesis, Structures and Magnetic studies of Hexanuclear Lanthanide Complexes: SMM behavior in DyIII analogue and MCE properties in the GdIII analogue","Dalton Transactions","2023","","","","","10.1039/D3DT01489D","","x-ray","0.71073","MoKα","","0.0916","0.0605","","","0.1428","0.1622","","","","","","1.064","","","","has coordinates,has disorder","285073","2023-07-06","22:55:02",""
"7713411","14.8617","0.0003","20.3171","0.0004","19.5374","0.0004","90","","98.002","0.002","90","","5841.8","0.2","219.99","0.1","219.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H108 F12 N18 O36 Tb6 -","- C94 H108 F12 N18 O36 Tb6 -","- C188 H216 F24 N36 O72 Tb12 -","2","0.5","","Kumar, Pawan; Kalita, Pankaj; Palacios, Maria A.; Kumar, Vierandra; Acharya, Joydev; Colacio, Enrique; Chandrasekhar, Vadapalli","Synthesis, Structures and Magnetic studies of Hexanuclear Lanthanide Complexes: SMM behavior in DyIII analogue and MCE properties in the GdIII analogue","Dalton Transactions","2023","","","","","10.1039/D3DT01489D","","x-ray","0.71073","MoKα","","0.0591","0.0417","","","0.0996","0.1089","","","","","","1.048","","","","has coordinates,has disorder","285073","2023-07-06","22:55:02",""
"7713412","14.908","0.0004","20.261","0.0006","19.5143","0.0006","90","","98.266","0.003","90","","5833.1","0.3","119.98","0.1","119.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H108 Dy6 F12 N18 O34 -","- C96 H108 Dy6 F12 N18 O34 -","- C192 H216 Dy12 F24 N36 O68 -","2","0.5","","Kumar, Pawan; Kalita, Pankaj; Palacios, Maria A.; Kumar, Vierandra; Acharya, Joydev; Colacio, Enrique; Chandrasekhar, Vadapalli","Synthesis, Structures and Magnetic studies of Hexanuclear Lanthanide Complexes: SMM behavior in DyIII analogue and MCE properties in the GdIII analogue","Dalton Transactions","2023","","","","","10.1039/D3DT01489D","","x-ray","0.71073","MoKα","","0.0621","0.0454","","","0.1124","0.1219","","","","","","1.025","","","","has coordinates,has disorder","285073","2023-07-06","22:55:02",""
"7713413","7.3313","0.0002","9.0913","0.0002","8.7803","0.0002","90","","93.714","0.002","90","","583.99","0.02","292.9","0.2","292.9","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H14 Mg N2 O10 P2 -","- C4 H14 Mg N2 O10 P2 -","- C8 H28 Mg2 N4 O20 P4 -","2","1","","Luo, Lisiteng; Wen, Xuemei; Cheng, Juan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis of magnesium phosphite-oxalates showing second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01885G","","x-ray","1.54184","CuKα","","0.0458","0.0452","","","0.1168","0.1184","","","","","","1.091","","","","has coordinates","285089","2023-07-07","22:52:39",""
"7713414","8.268","0.0006","8.892","0.0006","9.5432","0.0006","110.668","0.006","104.445","0.006","107.384","0.006","574.86","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C11 H26 Mg2 N2 O15 P2 -","- C11 H26 Mg2 N2 O15 P2 -","- C11 H26 Mg2 N2 O15 P2 -","1","1","","Luo, Lisiteng; Wen, Xuemei; Cheng, Juan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis of magnesium phosphite-oxalates showing second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01885G","","x-ray","0.71073","MoKα","","0.0397","0.0354","","","0.075","0.0791","","","","","","1.027","","","","has coordinates","285089","2023-07-07","22:52:40",""
"7713415","15.9","0.002","7.7115","0.001","18.708","0.002","90","","94.105","0.004","90","","2288","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O7 Pt S -","- C24 H20 N2 O7 Pt S -","- C96 H80 N8 O28 Pt4 S4 -","4","1","","Fjii, Shun; Yagi, Hajime; Kawaguchi, Tomohiro; Ishikawa, Mitsuru; Izumiyama, Naoki; Nakaya, Manabu","pH-driven optical changes of platinum(II) complexes having carboxy-appended salophen ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00956D","","","0.71073","MoKα","","0.0359","0.0346","","","0.101","0.1023","","","","","","1.074","","","","has coordinates","285090","2023-07-07","22:53:32",""
"7713416","19.9491","0.0005","19.9491","0.0005","8.8324","0.0003","90","","90","","120","","3044.08","0.15","100","","100","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C21 H15 N2 O5 Pt -","- C21 H15 N2 O5 Pt -","- C126 H90 N12 O30 Pt6 -","6","0.5","","Fjii, Shun; Yagi, Hajime; Kawaguchi, Tomohiro; Ishikawa, Mitsuru; Izumiyama, Naoki; Nakaya, Manabu","pH-driven optical changes of platinum(II) complexes having carboxy-appended salophen ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00956D","","","0.71073","MoKα","","0.0595","0.0393","","","0.0935","0.109","","","","","","1.065","","","","has coordinates,has disorder","285090","2023-07-07","22:53:33",""
"7713417","15.428","0.002","15.617","0.002","20.1332","0.0017","68.798","0.011","81.147","0.009","89.787","0.011","4461.5","1","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C188 H185 Ag4 Cl2 F12 Fe5 O4.5 P10 Sb2 -","- C170 H140 Ag4 Cl2 F12 Fe5 P10 Sb2 -","- C170 H140 Ag4 Cl2 F12 Fe5 P10 Sb2 -","1","0.5","","Wang, Meng; Li, Simin; Chen, Hui Jun; Sun, Xueli; Sun, Jing; jia, yanyuan; Guo, Shuo; SUN, Cunfa; Shen, Hui","DppfCuBH4: new reducing agents for the synthesis of ferrocene-functionalized metal nanoclusters","Dalton Transactions","2023","","","","","10.1039/D3DT01461D","","x-ray","1.54184","CuKα","","0.2354","0.0984","","","0.2123","0.2849","","","","","","0.836","","","","has coordinates,has disorder","285091","2023-07-07","22:54:37",""
"7713418","22.0344","0.0002","37.8184","0.0003","40.5275","0.0004","90","","98.004","0.001","90","","33442.8","0.5","100","0.1","100.15","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C300 H216 Ag25.08 Cl6 Cu3.92 F24 Fe6 P12 Sb2 -","- C300 H216 Ag25.08 Cl6 Cu3.92 F24 Fe6 P12 Sb2 -","- C1200 H864 Ag100.32 Cl24 Cu15.68 F96 Fe24 P48 Sb8 -","4","1","","Wang, Meng; Li, Simin; Chen, Hui Jun; Sun, Xueli; Sun, Jing; jia, yanyuan; Guo, Shuo; SUN, Cunfa; Shen, Hui","DppfCuBH4: new reducing agents for the synthesis of ferrocene-functionalized metal nanoclusters","Dalton Transactions","2023","","","","","10.1039/D3DT01461D","","","1.54184","CuKα","","0.1064","0.0939","","","0.2349","0.2474","","","","","","1.11","","","","has coordinates,has disorder","285091","2023-07-07","22:54:38",""
"7713419","13.0893","0.0003","13.0893","0.0003","15.2379","0.0006","90","","90","","120","","2260.94","0.12","273.15","","273.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Lu2 O30 Pb -","- B15 K7 Lu2 O30 Pb -","- B45 K21 Lu6 O90 Pb3 -","3","0.166667","","Liu, Juhe; Chen, Yuwei; Sun, Mengran; Liu, Wenhao; Meng, Xianghe; Yao, Jiyong","Synthesis and characterization of a new rare earth borate nonlinear optical crystal K<sub>7</sub>PbLu<sub>2</sub>B<sub>15</sub>O<sub>30</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01740k","","","0.71073","MoKα","","0.0258","0.0218","","","0.0511","0.0516","","","","","","1.17","","","","has coordinates","285127","2023-07-10","22:48:45",""
"7713420","29.7238","0.001","17.4037","0.0006","62.791","0.002","90","","103.217","0.001","90","","31621.6","1.8","180","","180","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C183 H159 B2 Dy2 N19 O5 -","- C172 H140 B2 Dy2 N14 O4 -","- C1376 H1120 B16 Dy16 N112 O32 -","8","2","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.0569","0.04","","","0.077","0.0843","","","","","","1.028","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713421","15.7298","0.0003","16.3326","0.0004","47.7251","0.001","90","","90","","90","","12261","0.5","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H126 B2 Cl2 Dy2 N18 O2 -","- C132 H108 B2 Cl2 Dy2 N12 O2 -","- C528 H432 B8 Cl8 Dy8 N48 O8 -","4","1","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.0731","0.0474","","","0.113","0.1321","","","","","","1.061","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713422","15.745","0.0003","16.324","0.0004","47.7781","0.0012","90","","90","","90","","12280","0.5","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H126 B2 Cl2 Dy2 N18 O2 -","- C132 H108 B2 Cl2 Dy2 N12 O2 -","- C528 H432 B8 Cl8 Dy8 N48 O8 -","4","1","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.0577","0.0438","","","0.1044","0.1149","","","","","","1.032","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713423","29.7543","0.0012","17.3502","0.0007","62.722","0.002","90","","103.169","0.001","90","","31528","2","180","","180","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C180 H154.5 B2 Dy2 N17.5 O5 -","- C168 H134 B2 Dy2 N12 O4 -","- C1344 H1072 B16 Dy16 N96 O32 -","8","2","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.2285","0.1029","","","0.2485","0.3448","","","","","","1.001","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713424","25.6443","0.0014","12.1157","0.0006","30.4747","0.0017","90","","101.2","0.002","90","","9288.1","0.9","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H56 N9 Nd4 O27 -","- C27 H56 N9 Nd4 O27 -","- C216 H448 N72 Nd32 O216 -","8","1","","Qiao, Na; Xin, Xiao-Yan; Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Two novel Ln8 clusters bridged by CO32−: effectively converting CO2 into oxazolidinones and cyclic carbonates","Dalton Transactions","2023","","","","","10.1039/D3DT01465G","","","0.71073","MoKα","","0.0708","0.0426","","","0.0963","0.1101","","","","","","1.021","","","","has coordinates","285129","2023-07-10","22:51:23",""
"7713425","25.6072","0.0016","12.0967","0.0008","30.3098","0.0015","90","","101.119","0.0018","90","","9212.6","1","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H112 N18 O54 Sm8 -","- C54 H112 N18 O54 Sm8 -","- C216 H448 N72 O216 Sm32 -","4","0.5","","Qiao, Na; Xin, Xiao-Yan; Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Two novel Ln8 clusters bridged by CO32−: effectively converting CO2 into oxazolidinones and cyclic carbonates","Dalton Transactions","2023","","","","","10.1039/D3DT01465G","","","0.71073","MoKα","","0.0792","0.0485","","","0.1224","0.1421","","","","","","1.083","","","","has coordinates","285129","2023-07-10","22:51:24",""
"7713426","11.542","0.002","14.232","0.003","15.228","0.003","90","","97.2","0.03","90","","2481.7","0.9","113","2","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Fe I N O2 S2 -","- C25 H25 Fe I N O2 S2 -","- C100 H100 Fe4 I4 N4 O8 S8 -","4","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei","Structural and functional biomimetics of [Fe]-hydrogenase featuring a mono-, di- or tetrasubstituted pyridine ligand with a <i>fac</i>-C, N, and S ligation.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9215","9228","10.1039/d3dt01285a","","","0.71073","MoKα","","0.0441","0.0349","","","0.0731","0.078","","","","","","1.076","","","","has coordinates","285162","2023-07-11","23:05:32",""
"7713427","9.4758","0.0004","9.5929","0.0004","12.9156","0.0005","68.567","0.001","83.093","0.001","85.975","0.002","1084.47","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19.25 H18.5 Cl0.5 Fe I N O4 S -","- C19.25 H18.5 Cl0.5 Fe I N O4 S -","- C38.5 H37 Cl Fe2 I2 N2 O8 S2 -","2","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei","Structural and functional biomimetics of [Fe]-hydrogenase featuring a mono-, di- or tetrasubstituted pyridine ligand with a <i>fac</i>-C, N, and S ligation.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9215","9228","10.1039/d3dt01285a","","","0.71073","MoKα","","0.0391","0.0305","","","0.083","0.0885","","","","","","0.992","","","","has coordinates,has disorder","285162","2023-07-11","23:05:37",""
"7713428","11.351","0.002","11.456","0.002","15.536","0.003","93.98","0.03","110.38","0.03","91.02","0.03","1887.3","0.7","113","2","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C16.75 H13.5 Cl1.5 Fe I N O3 S -","- C16.75 H13.5 Cl1.5 Fe I N O3 S -","- C67 H54 Cl6 Fe4 I4 N4 O12 S4 -","4","2","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei","Structural and functional biomimetics of [Fe]-hydrogenase featuring a mono-, di- or tetrasubstituted pyridine ligand with a <i>fac</i>-C, N, and S ligation.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9215","9228","10.1039/d3dt01285a","","","0.71073","MoKα","","0.0473","0.0312","","","0.0665","0.0703","","","","","","0.886","","","","has coordinates,has disorder","285162","2023-07-11","23:05:40",""
"7713429","11.12553","0.00012","13.2404","0.0002","15.39003","0.00017","90","","96.334","0.001","90","","2253.21","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl Fe N O2.5 S2 -","- C24 H23 Cl Fe N O2.5 S2 -","- C96 H92 Cl4 Fe4 N4 O10 S8 -","4","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei","Structural and functional biomimetics of [Fe]-hydrogenase featuring a mono-, di- or tetrasubstituted pyridine ligand with a <i>fac</i>-C, N, and S ligation.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9215","9228","10.1039/d3dt01285a","","","0.71073","MoKα","","0.058","0.0464","","","0.1056","0.1114","","","","","","1.072","","","","has coordinates,has disorder","285162","2023-07-11","23:05:42",""
"7713430","11.475","0.002","11.29","0.002","12.225","0.002","90","","91.3","0.03","90","","1583.4","0.5","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Fe I N O2 S -","- C15 H12 Fe I N O2 S -","- C60 H48 Fe4 I4 N4 O8 S4 -","4","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei","Structural and functional biomimetics of [Fe]-hydrogenase featuring a mono-, di- or tetrasubstituted pyridine ligand with a <i>fac</i>-C, N, and S ligation.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9215","9228","10.1039/d3dt01285a","","","0.71073","MoKα","","0.0549","0.0448","","","0.1061","0.1136","","","","","","1.081","","","","has coordinates","285162","2023-07-11","23:05:45",""
"7713431","19.0312","0.0006","15.6836","0.0005","24.342","0.0006","90","","110.365","0.003","90","","6811.4","0.4","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C39 H35 N5 O6 -","- C39 H35 N5 O6 -","- C312 H280 N40 O48 -","8","1","","Hoque, Anamika; Islam, Md Sanaul; Khan, Samim; Datta, Basudeb; Zangrando, Ennio; Kole, Goutam Kumar; Alam, Md Akhtarul","Crystallographic elucidation of an aluminium-bound amido Schiff base chemosensor: a selective turn-on fluorescent chemosensor for Al<sup>3+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01512b","","","0.71073","MoKα","","0.0801","0.0569","","","0.1355","0.1553","","","","","","1.05","","","","has coordinates","285163","2023-07-11","23:06:51",""
"7713432","14.5165","0.0004","16.0763","0.0005","18.1614","0.0005","81.998","0.001","69.664","0.001","75.218","0.001","3836.68","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H77 Al2 N12 Na O14 -","- C84 H77 Al2 N12 Na O14 -","- C168 H154 Al4 N24 Na2 O28 -","2","1","","Hoque, Anamika; Islam, Md Sanaul; Khan, Samim; Datta, Basudeb; Zangrando, Ennio; Kole, Goutam Kumar; Alam, Md Akhtarul","Crystallographic elucidation of an aluminium-bound amido Schiff base chemosensor: a selective turn-on fluorescent chemosensor for Al<sup>3+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01512b","","","0.71073","MoKα","","0.1185","0.0837","","","0.1996","0.2233","","","","","","1.067","","","","has coordinates,has disorder","285163","2023-07-11","23:06:55",""
"7713433","9.6173","0.001","9.706","0.001","14.232","0.002","106.092","0.01","93.459","0.01","93.474","0.008","1270","0.3","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl4 Co N4 O5 -","- C24 H16 Cl4 Co N4 O5 -","- C48 H32 Cl8 Co2 N8 O10 -","2","1","","Masuda, Syunya; Kusumoto, Sotaro; Okamura, Masaya; Hikichi, Shiro; Tokunaga, Ryuya; Hayami, Shinya; Kim, Yang; Koide, Yoshihiro","Thermosalient effect of naphthalene diimide and tetrachlorocobaltate hybrid and changes of color and magnetic property by ammonia vapor","Dalton Transactions","2023","","","","","10.1039/D3DT01822A","","","0.71073","MoKα","","0.1594","0.1016","","","0.2801","0.3324","","","","","","1.067","","","","has coordinates","285164","2023-07-11","23:07:25",""
"7713434","9.9319","0.0002","24.0942","0.0005","13.538","0.0002","90","","99.005","0.002","90","","3199.73","0.11","109","3","109","3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Cl4 O22 P4 Sb4 V2 -","- C44 H64 Cl4 O22 P4 Sb4 V2 -","- C88 H128 Cl8 O44 P8 Sb8 V4 -","2","0.5","","Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan","Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M<sub>2</sub>Sb<sub>4</sub> (M = V, Mn, Co, Ni, and Cu) oxo clusters.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9328","9336","10.1039/d3dt01000g","","x-ray","0.71073","MoKα","","0.0421","0.0351","","","0.0868","0.0908","","","","","","1.088","","","","has coordinates","285165","2023-07-11","23:08:53",""
"7713435","12.8207","0.0014","13.3637","0.0015","13.7013","0.0015","99.588","0.002","93.106","0.002","114.547","0.002","2085.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H110 Cu2 N2 O22 P4 Sb4 -","- C68 H110 Cu2 N2 O22 P4 Sb4 -","- C68 H110 Cu2 N2 O22 P4 Sb4 -","1","0.5","","Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan","Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M<sub>2</sub>Sb<sub>4</sub> (M = V, Mn, Co, Ni, and Cu) oxo clusters.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9328","9336","10.1039/d3dt01000g","","","0.71073","MoKα","","0.0352","0.0311","","","0.0735","0.0757","","","","","","1.027","","","","has coordinates","285165","2023-07-11","23:08:53",""
"7713436","25.233","0.008","20.1","0.008","16.085","0.006","90","","91.279","0.01","90","","8156","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H106 Co2 N2 O21 P4 Sb4 -","- C66 H102 Co2 N2 O20 P4 Sb4 -","- C264 H408 Co8 N8 O80 P16 Sb16 -","4","0.5","","Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan","Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M<sub>2</sub>Sb<sub>4</sub> (M = V, Mn, Co, Ni, and Cu) oxo clusters.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9328","9336","10.1039/d3dt01000g","","","0.71073","MoKα","","0.0686","0.0471","","","0.098","0.1058","","","","","","1.021","","","","has coordinates","285165","2023-07-11","23:08:53",""
"7713437","25.249","0.003","20.009","0.003","16.163","0.002","90","","91.427","0.002","90","","8163.1","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H110 N2 Ni2 O22 P4 Sb4 -","- C68 H110 N2 Ni2 O22 P4 Sb4 -","- C272 H440 N8 Ni8 O88 P16 Sb16 -","4","0.5","","Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan","Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M<sub>2</sub>Sb<sub>4</sub> (M = V, Mn, Co, Ni, and Cu) oxo clusters.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9328","9336","10.1039/d3dt01000g","","","0.71073","MoKα","","0.0442","0.0365","","","0.0841","0.0873","","","","","","1.081","","","","has coordinates","285165","2023-07-11","23:08:53",""
"7713438","25.252","0.003","20.379","0.003","16.0757","0.0018","90","","91.123","0.002","90","","8271.1","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H110 Mn2 N2 O22 P4 Sb4 -","- C68 H110 Mn2 N2 O22 P4 Sb4 -","- C272 H440 Mn8 N8 O88 P16 Sb16 -","4","0.5","","Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan","Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M<sub>2</sub>Sb<sub>4</sub> (M = V, Mn, Co, Ni, and Cu) oxo clusters.","Dalton transactions (Cambridge, England : 2003)","2023","52","27","9328","9336","10.1039/d3dt01000g","","","0.71073","MoKα","","0.0403","0.0356","","","0.0817","0.0837","","","","","","1.114","","","","has coordinates","285165","2023-07-11","23:08:54",""
"7713439","9.508","0.007","9.719","0.007","16.852","0.013","90","","90","","90","","1557","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N5 O3 Zn -","- C12 H16 N5 O3 Zn -","- C48 H64 N20 O12 Zn4 -","4","1","","Pandit, Nithun Ranjan; Bej, Sourav; Das, Riyanka; Ghosal, Nirajan; Mondal, Ananya; Pal, Ranjana; Ghosh, Meenakshi; Banerjee, Priyabrata; Biswas, Biplab","Anion directed structural tuning of azomethine derived two Zn2±complexes with optoelectronic recognition of Cu2+ from aqueous medium with Anti-cancer activities: Expedition from micromolar to femtomolar sensitivity with DFT revelation","Dalton Transactions","2023","","","","","10.1039/D3DT01901B","","","0.71073","MoKα","","0.1382","0.0867","","","0.1738","0.1948","","","","","","1.012","","","","has coordinates","285186","2023-07-12","23:00:35",""
"7713440","10.7236","0.0008","7.8448","0.0006","15.7025","0.0012","90","","96.744","0.003","90","","1311.82","0.17","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H28 Cl2 N4 O10 Zn -","- C20 H28 Cl2 N4 O10 Zn -","- C40 H56 Cl4 N8 O20 Zn2 -","2","0.5","","Pandit, Nithun Ranjan; Bej, Sourav; Das, Riyanka; Ghosal, Nirajan; Mondal, Ananya; Pal, Ranjana; Ghosh, Meenakshi; Banerjee, Priyabrata; Biswas, Biplab","Anion directed structural tuning of azomethine derived two Zn2±complexes with optoelectronic recognition of Cu2+ from aqueous medium with Anti-cancer activities: Expedition from micromolar to femtomolar sensitivity with DFT revelation","Dalton Transactions","2023","","","","","10.1039/D3DT01901B","","","0.71073","MoKα","","0.0695","0.0621","","","0.1796","0.1883","","","","","","1.056","","","","has coordinates,has disorder","285186","2023-07-12","23:00:36",""
"7713441","17.4207","0.0004","7.6098","0.0001","19.8264","0.0004","90","","95.023","0.002","90","","2618.25","0.09","169.98","0.1","169.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Br2 N4 -","- C24 H38 Br2 N4 -","- C96 H152 Br8 N16 -","4","1","","Wang, Zheng; Ma, Ning; Lu, Xiaochi; Liu, Ming; Liu, Tian; Liu, Qingbin; Solan, Gregory; Sun, Wen Hua","Robust and efficient transfer hydrogenation of carbonyl compounds catalyzed by NN-Mn(I) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02022C","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.1248","0.1299","","","","","","1.077","","","","has coordinates,has disorder","285187","2023-07-12","23:01:15",""
"7713442","21.7602","0.0003","12.71564","0.00011","16.6797","0.0002","90","","111.059","0.0014","90","","4306.95","0.1","169.99","0.1","169.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Br Mn N2 O3 -","- C15 H18 Br Mn N2 O3 -","- C120 H144 Br8 Mn8 N16 O24 -","8","1","","Wang, Zheng; Ma, Ning; Lu, Xiaochi; Liu, Ming; Liu, Tian; Liu, Qingbin; Solan, Gregory; Sun, Wen Hua","Robust and efficient transfer hydrogenation of carbonyl compounds catalyzed by NN-Mn(I) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02022C","","x-ray","1.54184","CuKα","","0.0351","0.0337","","","0.0953","0.0962","","","","","","1.06","","","","has coordinates","285187","2023-07-12","23:01:16",""
"7713443","14.9876","0.0002","9.2792","0.0001","17.3004","0.0002","90","","96.565","0.001","90","","2390.24","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 As Mn Mo O5 -","- C24 H24 As Mn Mo O5 -","- C96 H96 As4 Mn4 Mo4 O20 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Bridging arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01364b","","x-ray","1.54184","CuKα","","0.0277","0.0253","","","0.0594","0.0611","","","","","","1.036","","","","has coordinates","285188","2023-07-12","23:03:10",""
"7713444","13.6104","0.0011","14.7837","0.0007","13.7151","0.0012","90","","100.707","0.008","90","","2711.6","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 As F6 Fe Mo O5 P -","- C23 H22 As F6 Fe Mo O5 P -","- C92 H88 As4 F24 Fe4 Mo4 O20 P4 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Bridging arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01364b","","x-ray","1.54184","CuKα","","0.0996","0.0743","","","0.1961","0.2143","","","","","","1.034","","","","has coordinates","285188","2023-07-12","23:03:11",""
"7713445","10.0861","0.0003","10.5319","0.0004","13.266","0.0005","77.541","0.003","70.581","0.003","61.676","0.003","1167.06","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 As Cr Mo O8 -","- C21 H17 As Cr Mo O8 -","- C42 H34 As2 Cr2 Mo2 O16 -","2","1","","Kirk, Ryan M.; Hill, Anthony F.","Bridging arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01364b","","x-ray","1.54184","CuKα","","0.0296","0.0273","","","0.0681","0.0698","","","","","","1.043","","","","has coordinates","285188","2023-07-12","23:03:11",""
"7713446","30.0109","0.0004","11.148","0.0001","17.8024","0.0002","90","","100.515","0.001","90","","5855.98","0.12","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 As Co3 Mo O11 -","- C25 H18 As Co3 Mo O11 -","- C200 H144 As8 Co24 Mo8 O88 -","8","1","","Kirk, Ryan M.; Hill, Anthony F.","Bridging arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01364b","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0869","0.0877","","","","","","1.064","","","","has coordinates","285188","2023-07-12","23:03:11",""
"7713447","23.8893","0.0005","38.4002","0.0003","14.8049","0.0003","90","","136.531","0.004","90","","9343.4","0.7","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 As Au F5 Mo O3 -","- C22 H17 As Au F5 Mo O3 -","- C352 H272 As16 Au16 F80 Mo16 O48 -","16","4","","Kirk, Ryan M.; Hill, Anthony F.","Bridging arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01364b","","x-ray","1.54184","CuKα","","0.046","0.0369","","","0.0794","0.084","","","","","","1.028","","","","has coordinates","285188","2023-07-12","23:03:11",""
"7713448","13.868","0.003","15.384","0.005","14.66","0.009","90","","110.85","0.03","90","","2923","2","296.15","","296.15","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C19 H45 I2 Mg N3 P2 -","- C19 H45 I2 Mg N3 P2 -","- C76 H180 I8 Mg4 N12 P8 -","4","1","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","0.71073","MoKα","","0.1411","0.0545","","","0.0682","0.0809","","","","","","0.943","","","","has coordinates,has disorder","285189","2023-07-12","23:05:04",""
"7713449","12.9772","0.0006","15.3074","0.0007","13.868","0.0006","90","","114.657","0.003","90","","2503.7","0.2","193","2","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H82 Mg2 N8 Na2 P4 -","- C34 H82 Mg2 N8 Na2 P4 -","- C68 H164 Mg4 N16 Na4 P8 -","2","0.5","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","1.34139","GaKα","","0.1243","0.0551","","","0.1273","0.1548","","","","","","1.032","","","","has coordinates","285189","2023-07-12","23:05:05",""
"7713450","23.6804","0.0007","63.6047","0.0017","13.9335","0.0004","90","","90","","90","","20986.4","1","193","","193","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H85 Cu2 I2 Mg2 N6 P4 -","- C37 H85 Cu2 I2 Mg2 N6 P4 -","- C592 H1360 Cu32 I32 Mg32 N96 P64 -","16","1","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","1.34139","GaKα","","0.0207","0.0191","","","0.0436","0.044","","","","","","1.044","","","","has coordinates,has disorder","285189","2023-07-12","23:05:05",""
"7713451","23.87","0.003","14.5992","0.0017","14.7309","0.0016","90","","94.704","0.004","90","","5116.2","1","190","2","190","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H39 Ag I Mg N3 P2 -","- C17 H39 Ag I Mg N3 P2 -","- C136 H312 Ag8 I8 Mg8 N24 P16 -","8","1","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","0.71073","MoKα","","0.0782","0.0398","","","0.0741","0.0867","","","","","","1.011","","","","has coordinates,has disorder","285189","2023-07-12","23:05:05",""
"7713452","12.441","0.018","13.95","0.03","16.13","0.03","78.19","0.05","87.56","0.04","65.18","0.07","2484","8","190","2","190","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H77 Au2 Cl2 Mg2 N6 P4 -","- C34 H77 Au2 Cl2 Mg2 N6 P4 -","- C68 H154 Au4 Cl4 Mg4 N12 P8 -","2","1","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","0.71073","MoKα","","0.1067","0.0557","","","0.1116","0.1324","","","","","","1.017","","","","has coordinates,has disorder","285189","2023-07-12","23:05:05",""
"7713453","11.7919","0.0008","12.9748","0.0009","22.3011","0.0015","93.839","0.002","98.412","0.002","109.612","0.002","3154.7","0.4","190","","190","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H106 Cl2 Li2 Mg2 N6 O2 P4 -","- C47 H106 Cl2 Li2 Mg2 N6 O2 P4 -","- C94 H212 Cl4 Li4 Mg4 N12 O4 P8 -","2","1","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","0.71073","MoKα","","0.1368","0.072","","","0.1631","0.1924","","","","","","1.008","","","","has coordinates,has disorder","285189","2023-07-12","23:05:05",""
"7713454","17.417","0.002","11.2309","0.0014","20.539","0.004","90","","94.769","0.001","90","","4003.7","1","296.15","","296.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ir(phpyr)2tmd","","- C49 H43 Ir N2 O2 -","- C49 H43 Ir N2 O2 -","- C196 H172 Ir4 N8 O8 -","4","0.5","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0285","0.0234","","","0.0544","0.0566","","","","","","1.059","","","","has coordinates,has disorder","285190","2023-07-12","23:08:18",""
"7713455","10.09","0.009","42.98","0.04","9.476","0.009","90","","107.52","0.013","90","","3919","6","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ir1-B","Ir(phpyr)2tmd","","- C49 H43 Ir N2 O2 -","- C49 H43 Ir N2 O2 -","- C196 H172 Ir4 N8 O8 -","4","1","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0968","0.0645","","","0.1437","0.1555","","","","","","0.973","","","","has coordinates","285190","2023-07-12","23:08:19",""
"7713456","13.0713","0.0006","17.6161","0.0007","21.1346","0.0009","103.449","0.001","106.049","0.001","102.686","0.001","4333.7","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","Ir(phpyr-CH3)2tmd","","- C51.5 H49 Ir N2 O2.5 -","- C51 H47 Ir N2 O2 -","- C204 H188 Ir4 N8 O8 -","4","2","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0595","0.0353","","","0.0662","0.0714","","","","","","0.926","","","","has coordinates,has disorder","285190","2023-07-12","23:08:19",""
"7713457","14.7888","0.0019","18.451","0.002","18.85","0.002","104.477","0.002","109.897","0.002","102.021","0.002","4433.2","0.9","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","Ir(phpyr-F)2tmd","","- C49.5 H43 F2 Ir N2 O2.5 -","- C49 H41 F2 Ir N2 O2 -","- C196 H164 F8 Ir4 N8 O8 -","4","2","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0918","0.0481","","","0.1169","0.1291","","","","","","0.924","","","","has coordinates","285190","2023-07-12","23:08:19",""
"7713458","32.426","0.002","32.426","0.002","20.568","0.003","90","","90","","120","","18729","3","296.15","","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Ir(phpyr-F)2tmd","","- C50 H42.5 F2 Ir N2.5 O2 -","- C49 H41 F2 Ir N2 O2 -","- C882 H738 F36 Ir18 N36 O36 -","18","1","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.054","0.0445","","","0.1173","0.1237","","","","","","1.093","","","","has coordinates,has disorder","285190","2023-07-12","23:08:20",""
"7713459","16.6136","0.0013","21.0053","0.0016","24.6615","0.0019","90","","90","","90","","8606.2","1.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ir(phpyr-CF3)2tmd","","- C204 H166 F24 Ir4 N8 O9 -","- C204 H166 F24 Ir4 N8 O9 -","- C408 H332 F48 Ir8 N16 O18 -","2","0.25","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0526","0.0304","","","0.0788","0.0891","","","","","","1.057","","","","has coordinates,has disorder","285190","2023-07-12","23:08:20",""
"7713460","11.9811","0.0005","14.8759","0.0006","18.5704","0.0008","87.675","0.004","78.345","0.003","79.489","0.003","3187.1","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H128 B4 Fe6 N60 O10 -","- C108 H128 B4 Fe6 N60 O10 -","- C108 H128 B4 Fe6 N60 O10 -","1","0.5","","Kamilya, Sujit; Mehta, Sakshi; Lescouezec, Rodrigue; Li, Yanling; Pechousek, Jiri; Semwal, Mohini; Mondal, Abhishake","Near Room Temperature Stepwise Spin State Switching and Photomagnetic Effect in a Mixed-Valence Molecular Square","Dalton Transactions","2023","","","","","10.1039/D3DT01615C","","","0.71073","MoKα","","0.1985","0.0859","","","0.2059","0.2638","","","","","","0.997","","","","has coordinates","285191","2023-07-12","23:09:07",""
"7713461","8.6827","0.0002","11.649","0.0003","25.0534","0.0007","90","","89.971","0.002","90","","2534.02","0.11","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H53 Cl4 F6 Ir N5 O2 P -","- C47 H53 Cl4 F6 Ir N5 O2 P -","- C94 H106 Cl8 F12 Ir2 N10 O4 P2 -","2","1","","Łomzik, Michał; Blauz, Andrzej; Glodek, Marta; Makal, Anna; Tchoń, Daniel Mateusz; Ayine-Tora, Daniel Moscoh; Hartinger, Christian; Rychlik, Blazej; Plazuk, Damian","Organometallic Ru, Os, Rh and Ir Half-Sandwich Conjugates of Ispinesib - Impact of the Organometallic Group on the Antimitotic Activity","Dalton Transactions","2023","","","","","10.1039/D3DT01217D","","x-ray","1.54184","CuKα","","0.0489","0.0481","","","0.1125","0.1129","","","","","","1.061","","","","has coordinates","285192","2023-07-12","23:09:44",""
"7713462","14.206","0.0014","15.9573","0.0016","23.367","0.002","75.121","0.001","87.336","0.001","68.501","0.001","4756.6","0.8","296","2","296","2","","","","","","","","10","P -1","-P 1","2","","","","- C44 H139 Co4 Fe6 K2 N28 Na2 O167.5 P4 W32 -","- C44 H60 Co4.0002 Fe5.9998 K2 N28 Na2 O167.5 P4 W32 -","- C44 H60 Co4.0002 Fe5.9998 K2 N28 Na2 O167.5 P4 W32 -","1","0.5","","Yu, Yating; Bai, Xu; Wang, Qin; Wang, Jilei; Xiang, Xinying; Zhou, Jiulin; Li, Siman; Xu, Yan","MoO42–templated Ln20Ni21 heterometallic clusters with a large low-field magnetic entropy","Dalton Transactions","2023","","","","","10.1039/D3DT01811C","","","0.71073","MoKα","","0.0613","0.0446","","","0.1112","0.1208","","","","","","1.025","","","","has coordinates,has disorder","285205","2023-07-13","22:59:45",""
"7713463","14.259","0.004","16.083","0.005","23.594","0.007","75.142","0.004","87.658","0.004","68.882","0.004","4871","3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H148 Fe6 Mn4 N28 Na4 O172 P4 W32 -","- C44 H60 Fe5.9998 Mn4.0002 N28 Na4 O172 P4 W32 -","- C44 H60 Fe5.9998 Mn4.0002 N28 Na4 O172 P4 W32 -","1","0.5","","Yu, Yating; Bai, Xu; Wang, Qin; Wang, Jilei; Xiang, Xinying; Zhou, Jiulin; Li, Siman; Xu, Yan","MoO42–templated Ln20Ni21 heterometallic clusters with a large low-field magnetic entropy","Dalton Transactions","2023","","","","","10.1039/D3DT01811C","","","0.71073","MoKα","","0.081","0.0546","","","0.1408","0.1558","","","","","","1.188","","","","has coordinates,has disorder","285205","2023-07-13","22:59:45",""
"7713464","8.612","0.0003","11.8772","0.0004","22.734","0.0008","90","","97.796","0.001","90","","2303.89","0.14","174","2","174","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl Ir N2 O -","- C25 H28 Cl Ir N2 O -","- C100 H112 Cl4 Ir4 N8 O4 -","4","1","","Yao, Zi-Jian; Gao, Song; Liu, Zhen-Jiang; Luo, Yu-Zhou","Half-Sandwich Iridium Complexes with Hydrazone Ligands: Preparation, Structure and Catalytic Synthesis of Cyanosilylethers under Air","Dalton Transactions","2023","","","","","10.1039/D3DT01617J","","","1.34138","GaKα","","0.0305","0.0293","","","0.0787","0.0797","","","","","","1.078","","","","has coordinates,has disorder","285206","2023-07-13","23:00:16",""
"7713465","8.494","0.003","11.359","0.005","13.096","0.005","90","","90","","90","","1263.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 B9 O2 -","- C6 H19 B9 O2 -","- C24 H76 B36 O8 -","4","1","","Korábková, Tereza; Bartáček, Jan; Marek, Lukáš; Hanusek, Jiri; R°užička, Aleš; Váňa, Jiří","Switchable Cyclopalladation of Substrates Containing Two Directing Groups: on the Way to Non-symmetrical [2.2]-Dipalladaparacyclophanes","Dalton Transactions","2023","","","","","10.1039/D3DT02019C","","","0.71073","MoKα","","0.0564","0.0442","","","0.0928","0.0978","","","","","","1.079","","","","has coordinates","285207","2023-07-13","23:01:00",""
"7713466","7.2707","0.0005","12.9592","0.0008","14.6368","0.0011","90","","100.184","0.003","90","","1357.39","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 B9 N O2 -","- C6 H22 B9 N O2 -","- C24 H88 B36 N4 O8 -","4","1","","Korábková, Tereza; Bartáček, Jan; Marek, Lukáš; Hanusek, Jiri; R°užička, Aleš; Váňa, Jiří","Switchable Cyclopalladation of Substrates Containing Two Directing Groups: on the Way to Non-symmetrical [2.2]-Dipalladaparacyclophanes","Dalton Transactions","2023","","","","","10.1039/D3DT02019C","","","0.71073","MoKα","","0.0618","0.0501","","","0.1164","0.1224","","","","","","1.059","","","","has coordinates","285207","2023-07-13","23:01:03",""
"7713467","37.1635","0.0007","22.8533","0.0004","14.3046","0.0002","90","","90","","90","","12149","0.4","150","0.14","150.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C96 H122 Cl4 Fe3 I6 K3 N18 O18 -","- C96 H122 Cl4 Fe3 I6 K3 N18 O18 -","- C384 H488 Cl16 Fe12 I24 K12 N72 O72 -","4","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers","Dalton Transactions","2023","","","","","10.1039/D3DT01571H","","","0.71073","MoKα","","0.0638","0.0556","","","0.1295","0.135","","","","","","1.127","","","","has coordinates","285208","2023-07-13","23:02:10",""
"7713468","24.4385","0.0011","24.4385","0.0011","11.3928","0.0006","90","","90","","120","","5892.6","0.5","105","1","105","1","","","","","","","","5","P 3","P 3","143","","","","- C80.33 H76.67 Cl7.67 Co2 N15 -","- C80.3335 H76.6668 Cl7.6667 Co2 N15 -","- C241.001 H230 Cl23.0001 Co6 N45 -","3","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers","Dalton Transactions","2023","","","","","10.1039/D3DT01571H","","x-ray","0.71073","MoKα","","0.1507","0.0888","","","0.2155","0.2616","","","","","","1.028","","","","has coordinates,has disorder","285208","2023-07-13","23:02:10",""
"7713469","14.4244","0.0004","38.0773","0.001","22.19","0.001","90","","90.747","0.003","90","","12186.6","0.7","150","0.14","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C96 H122 Cl4 Co3 I6 K3 N18 O18 -","- C96 H122 Cl4 Co3 I6 K3 N18 O18 -","- C384 H488 Cl16 Co12 I24 K12 N72 O72 -","4","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers","Dalton Transactions","2023","","","","","10.1039/D3DT01571H","","","0.71073","MoKα","","0.152","0.0955","","","0.2269","0.2447","","","","","","1.017","","","","has coordinates,has disorder","285208","2023-07-13","23:02:10",""
"7713470","10.6478","0.0002","16.096","0.0003","20.9235","0.0003","104.367","0.001","99.544","0.001","104.338","0.002","3265.51","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H83 Au Cl4 F3 N5 O3 S -","- C60 H83 Au Cl4 F3 N5 O3 S -","- C120 H166 Au2 Cl8 F6 N10 O6 S2 -","2","1","","Nolan, Steven P.; Cavallo, Luigi; Cazin, Catherine; Dereli, Busra; Saab, Marina; Tzouras, Nikolaos V.; Van Hecke, Kristof; Vanden Broeck, Sofie; Ritacco, Ida; Vougioukalakis, Georgios C.; Danopoulos, Andreas; Braunstein, Pierre","Gold complexes with remote-substituted amino N-heterocyclic carbenes","Dalton Transactions","2023","","","","","10.1039/D3DT02086J","","","1.54184","CuKα","","0.0401","0.0362","","","0.0936","0.0967","","","","","","1.032","","","","has coordinates,has disorder","285209","2023-07-13","23:03:26",""
"7713471","11.4651","0.0002","15.0649","0.0003","17.5928","0.0003","79.173","0.002","72.683","0.002","78.7","0.002","2817.31","0.1","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C54 H71 Au Cl2 F3 N5 O3 S -","- C54 H71 Au Cl2 F3 N5 O3 S -","- C108 H142 Au2 Cl4 F6 N10 O6 S2 -","2","1","","Nolan, Steven P.; Cavallo, Luigi; Cazin, Catherine; Dereli, Busra; Saab, Marina; Tzouras, Nikolaos V.; Van Hecke, Kristof; Vanden Broeck, Sofie; Ritacco, Ida; Vougioukalakis, Georgios C.; Danopoulos, Andreas; Braunstein, Pierre","Gold complexes with remote-substituted amino N-heterocyclic carbenes","Dalton Transactions","2023","","","","","10.1039/D3DT02086J","","x-ray","1.54184","CuKα","","0.0249","0.0232","","","0.0567","0.0576","","","","","","1.057","","","","has coordinates","285209","2023-07-13","23:03:28",""
"7713472","10.3776","0.0004","12.6358","0.0008","15.3266","0.0011","66.624","0.006","72.414","0.005","68.894","0.005","1691.02","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Au Cl4 N3 -","- C31 H44 Au Cl4 N3 -","- C62 H88 Au2 Cl8 N6 -","2","1","","Nolan, Steven P.; Cavallo, Luigi; Cazin, Catherine; Dereli, Busra; Saab, Marina; Tzouras, Nikolaos V.; Van Hecke, Kristof; Vanden Broeck, Sofie; Ritacco, Ida; Vougioukalakis, Georgios C.; Danopoulos, Andreas; Braunstein, Pierre","Gold complexes with remote-substituted amino N-heterocyclic carbenes","Dalton Transactions","2023","","","","","10.1039/D3DT02086J","","x-ray","1.54184","CuKα","","0.0826","0.0532","","","0.1207","0.1363","","","","","","1.021","","","","has coordinates","285209","2023-07-13","23:03:28",""
"7713473","10.1482","0.0001","22.3169","0.0002","27.6757","0.0003","90","","94.758","0.001","90","","6246.29","0.11","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H80 Au Cl3 F3 N5 O3 S -","- C59 H80 Au Cl3 F3 N5 O3 S -","- C236 H320 Au4 Cl12 F12 N20 O12 S4 -","4","1","","Nolan, Steven P.; Cavallo, Luigi; Cazin, Catherine; Dereli, Busra; Saab, Marina; Tzouras, Nikolaos V.; Van Hecke, Kristof; Vanden Broeck, Sofie; Ritacco, Ida; Vougioukalakis, Georgios C.; Danopoulos, Andreas; Braunstein, Pierre","Gold complexes with remote-substituted amino N-heterocyclic carbenes","Dalton Transactions","2023","","","","","10.1039/D3DT02086J","","x-ray","1.54184","CuKα","","0.0344","0.0271","","","0.0617","0.065","","","","","","1.019","","","","has coordinates","285209","2023-07-13","23:03:28",""
"7713474","18.8453","0.0008","8.0828","0.0003","11.4284","0.0005","90","","104.375","0.004","90","","1686.3","0.12","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","CobaltFluorocubane 1D MOF","","- C16 H32 Co4 F4 N10 O12 S3 -","- C16 H32 Co4 F4 N10 O12 S3 -","- C32 H64 Co8 F8 N20 O24 S6 -","2","0.5","","Behera, Jogendra Nath; Sahoo, Malaya Kumar","Structure and magnetic properties of an amine-templated one-dimensional cobalt-fluoro-sulfate containing Co4F4 Cubane & hydrogen evolution reaction (HER) performance of its derived carbon-wrapped CoSe2 nanorods","Dalton Transactions","2023","","","","","10.1039/D3DT01789C","","x-ray","0.71073","MoKα","","0.0636","0.062","","","0.1795","0.1801","","","","","","1.125","","","","has coordinates,has disorder","285214","2023-07-14","22:50:06",""
"7713475","9.4513","0.0004","15.2354","0.0007","18.4015","0.0008","108.947","0.001","95.473","0.001","93.372","0.001","2483.35","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 O11 Tb -","- C36 H34 O11 Tb -","- C72 H68 O22 Tb2 -","2","1","","Lu, Xin; Yao, Zhilong; Yuan, Xiaomin; Wei, Yao; Zhu, Zhihao; Zheng, Hegen; Zhang, Chuan-Lei","Response to solvent stimulation of terbium-organic framework for photocatalysis CO2 reduction","Dalton Transactions","2023","","","","","10.1039/D3DT01763J","","","0.71073","MoKα","","0.0565","0.0426","","","0.0843","0.0868","","","","","","1.041","","","","has coordinates","285256","2023-07-17","22:54:13",""
"7713476","14.182","0.002","6.9954","0.001","9.3508","0.0014","90","","111.712","0.004","90","","861.9","0.2","299.6","","299.6","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3 H5 Br2 Cu N4 S -","- C3 H6 Br2 Cu N4 S -","- C12 H24 Br8 Cu4 N16 S4 -","4","0.5","","Gomez, Olaya Paz; Carballo, Rosa; Lago, Ana Belen; Prieto, Inmaculada; Vazquez-Lopez, Ezequiel M.","From Cu(I) and Cu(I)-Cu(II) mixed-valence clusters to 2D Cu(II) and Cu(I) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01556D","","","1.54178","CuKα","","0.0231","0.0229","","","0.0633","0.0635","","","","","","1.098","","","","has coordinates,has disorder","285264","2023-07-18","22:48:24",""
"7713477","9.0902","0.0007","10.2268","0.0007","15.9673","0.0011","90","","98.71","0.002","90","","1467.26","0.18","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Br4 Cu3 N16 S4 -","- C12 H20 Br4 Cu3 N16 S4 -","- C24 H40 Br8 Cu6 N32 S8 -","2","0.5","","Gomez, Olaya Paz; Carballo, Rosa; Lago, Ana Belen; Prieto, Inmaculada; Vazquez-Lopez, Ezequiel M.","From Cu(I) and Cu(I)-Cu(II) mixed-valence clusters to 2D Cu(II) and Cu(I) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01556D","","","0.71073","MoKα","","0.0366","0.0275","","","0.0548","0.0575","","","","","","1.043","","","","has coordinates","285264","2023-07-18","22:48:25",""
"7713478","10.2919","0.001","9.6293","0.0009","14.8207","0.0013","90","","92.996","0.003","90","","1466.8","0.2","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Br4 Cu4 N16 S4 -","- C12 H20 Br4 Cu4 N16 S4 -","- C24 H40 Br8 Cu8 N32 S8 -","2","0.5","","Gomez, Olaya Paz; Carballo, Rosa; Lago, Ana Belen; Prieto, Inmaculada; Vazquez-Lopez, Ezequiel M.","From Cu(I) and Cu(I)-Cu(II) mixed-valence clusters to 2D Cu(II) and Cu(I) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01556D","","","0.71073","MoKα","","0.0463","0.0453","","","0.1047","0.1057","","","","","","1.132","","","","has coordinates","285264","2023-07-18","22:48:25",""
"7713479","6.9967","0.0005","9.1986","0.0008","13.6109","0.0011","71.516","0.003","86.14","0.002","87.7","0.002","828.76","0.12","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Br4 Cu2 N8 S2 -","- C6 H10 Br4 Cu2 N8 S2 -","- C12 H20 Br8 Cu4 N16 S4 -","2","1","","Gomez, Olaya Paz; Carballo, Rosa; Lago, Ana Belen; Prieto, Inmaculada; Vazquez-Lopez, Ezequiel M.","From Cu(I) and Cu(I)-Cu(II) mixed-valence clusters to 2D Cu(II) and Cu(I) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01556D","","","0.71073","MoKα","","0.0283","0.0219","","","0.05","0.0523","","","","","","1.102","","","","has coordinates","285264","2023-07-18","22:48:26",""
"7713480","7.97","0.0004","8.349","0.0005","8.9632","0.0005","111.095","0.002","98.825","0.002","107.631","0.002","506.69","0.05","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H5 Cu2 I2 N4 S -","- C3 H5 Cu2 I2 N4 S -","- C6 H10 Cu4 I4 N8 S2 -","2","1","","Gomez, Olaya Paz; Carballo, Rosa; Lago, Ana Belen; Prieto, Inmaculada; Vazquez-Lopez, Ezequiel M.","From Cu(I) and Cu(I)-Cu(II) mixed-valence clusters to 2D Cu(II) and Cu(I) coordination polymers supported by a flexible bis-tetrazole organosulfur ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01556D","","","0.71073","MoKα","","0.0198","0.0178","","","0.0378","0.0383","","","","","","1.211","","","","has coordinates","285264","2023-07-18","22:48:26",""
"7713481","20.0922","0.0009","15.2744","0.0008","17.8164","0.0009","90","","105.925","0.002","90","","5257.9","0.5","110","2","110.35","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H65 Cl3 N2 O6 V -","- C42 H65 Cl3 N2 O6 V -","- C168 H260 Cl12 N8 O24 V4 -","4","1","","Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph","Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01274C","","","0.71073","MoKα","","0.0532","0.0388","","","0.1139","0.1333","","","","","","1.117","","","","has coordinates,has disorder","285265","2023-07-18","22:49:36",""
"7713482","11.5413","0.0001","12.302","0.0001","19.179","0.0002","95.538","0.001","106.491","0.001","95.79","0.001","2575.27","0.04","99.9","0.7","99.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 Cl12 N2 O6 V -","- C42 H56 Cl12 N2 O6 V -","- C84 H112 Cl24 N4 O12 V2 -","2","1","","Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph","Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01274C","","x-ray","1.54184","CuKα","","0.0487","0.0441","","","0.1087","0.1123","","","","","","1.078","","","","has coordinates,has disorder","285265","2023-07-18","22:49:41",""
"7713483","15.2509","0.0004","15.2509","0.0004","18.9173","0.0006","90","","90","","120","","3810.49","0.19","104","2","104.52","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C42 H62 Cl6 N2 O6 V -","- C42 H62 Cl6 N2 O6 V -","- C126 H186 Cl18 N6 O18 V3 -","3","0.5","","Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph","Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01274C","","","0.71073","MoKα","","0.0362","0.0304","","","0.0794","0.0892","","","","","","1.12","","","","has coordinates","285265","2023-07-18","22:49:46",""
"7713484","5.848876","0.000011","5.848876","0.000011","4.700312","0.000011","90","","90","","90","","160.795","0.0006","293","","293","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Re2.56Mn1.44Ge6.57","","- Ge6.568 Mn1.437 Re2.563 -","- Ge16 Mn1.4368 Re2.5632 -","- Ge16 Mn1.4368 Re2.5632 -","1","0.03125","","Khalaniya, Roman A.; Verchenko, Valeriy; Bogach, Alexey; Likhanov, Maxim; Shevelkov, Andrei V.","Itinerant ferromagnet Re4−xMnxGe7−δ (x = 0.9–1.5, δ = 0.42–0.44) with incommensurate chimney-ladder structure stabilised at ambient pressure","Dalton Transactions","2023","","","","","10.1039/D3DT01919E","powder diffraction","x-ray","0.35425","Synchrotron","","0.0286","0.0275","","0.0423","0.0422","","","","3.24","","","","","","","has coordinates","285266","2023-07-18","22:50:55",""
"7713485","5.86034","0.00002","5.86034","0.00002","4.70446","0.00002","90","","90","","90","","161.568","0.001","293","","293","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Re3.1Mn0.9Ge6.57","","- Ge6.574 Mn0.91 Re3.09 -","- Ge16 Mn0.912 Re3.088 -","- Ge16 Mn0.912 Re3.088 -","1","0.03125","","Khalaniya, Roman A.; Verchenko, Valeriy; Bogach, Alexey; Likhanov, Maxim; Shevelkov, Andrei V.","Itinerant ferromagnet Re4−xMnxGe7−δ (x = 0.9–1.5, δ = 0.42–0.44) with incommensurate chimney-ladder structure stabilised at ambient pressure","Dalton Transactions","2023","","","","","10.1039/D3DT01919E","powder diffraction","x-ray","0.35425","Synchrotron","","0.0286","0.0275","","0.0423","0.0422","","","","3.24","","","","","","","has coordinates","285266","2023-07-18","22:50:56",""
"7713486","12.1877","0.0001","13.2995","0.0002","15.2041","0.0002","90","","95.834","0.001","90","","2451.67","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Br2 Cl4 N4 Pt -","- C48 H60 Br2 Cl4 N4 Pt -","- C96 H120 Br4 Cl8 N8 Pt2 -","2","0.5","","Khan, Amran; Gobeze, Habtom B.; Islam, Tanjila; Arman, Hadi; Schanze, Kirk","Effect of Bromine Substitution on Blue Phosphorescent trans-(N-Heterocyclic Carbene)Pt(II) Acetylide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01483E","","x-ray","1.54184","CuKα","","0.0369","0.0348","","","0.0965","0.0984","","","","","","1.076","","","","has coordinates","285267","2023-07-18","22:51:46",""
"7713487","22.6051","0.0012","28.2889","0.0003","12.948","0.0007","90","","148.017","0.013","90","","4385.6","1.6","100","0.1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H54 Br4 N4 Pt -","- C46 H54 Br4 N4 Pt -","- C184 H216 Br16 N16 Pt4 -","4","1","","Khan, Amran; Gobeze, Habtom B.; Islam, Tanjila; Arman, Hadi; Schanze, Kirk","Effect of Bromine Substitution on Blue Phosphorescent trans-(N-Heterocyclic Carbene)Pt(II) Acetylide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01483E","","","1.54184","CuKα","","0.04","0.0399","","","0.1054","0.1055","","","","","","1.0468","","","","has coordinates","285267","2023-07-18","22:51:46",""
"7713488","21.418","0.0003","17.0027","0.0002","22.8135","0.0004","90","","116.951","0.002","90","","7405.6","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 B F2 N2 -","- C42 H49 B F2 N2 -","- C336 H392 B8 F16 N16 -","8","2","","Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie","One- and two-electron reductions of a bulky BODIPY compound","Dalton Transactions","2023","","","","","10.1039/D3DT02048G","","","1.54184","CuKα","","0.0604","0.0467","","","0.1172","0.125","","","","","","1.025","","","","has coordinates","285278","2023-07-19","22:54:21",""
"7713489","11.5135","0.0004","13.7856","0.0005","16.3179","0.0005","75.759","0.003","75.1","0.003","83.917","0.003","2423.46","0.15","150","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H55 B2 Br5 N2 -","- C48 H55 B2 Br5 N2 -","- C96 H110 B4 Br10 N4 -","2","1","","Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie","One- and two-electron reductions of a bulky BODIPY compound","Dalton Transactions","2023","","","","","10.1039/D3DT02048G","","","1.54184","CuKα","","0.0655","0.0582","","","0.1675","0.1758","","","","","","1.033","","","","has coordinates,has disorder","285278","2023-07-19","22:54:22",""
"7713490","10.86146","0.00009","35.6092","0.0003","21.07021","0.00016","90","","99.2415","0.0007","90","","8043.5","0.11","150.01","0.1","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H112 B2 F2 N4 -","- C90 H112 B2 F2 N4 -","- C360 H448 B8 F8 N16 -","4","1","","Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie","One- and two-electron reductions of a bulky BODIPY compound","Dalton Transactions","2023","","","","","10.1039/D3DT02048G","","","1.54184","CuKα","","0.0709","0.0561","","","0.143","0.1545","","","","","","1.012","","","","has coordinates","285278","2023-07-19","22:54:22",""
"7713491","11.6625","0.0004","13.5508","0.0005","25.3021","0.0012","82.352","0.003","77.952","0.004","85.009","0.003","3868.5","0.3","149.98","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H105.54 B2 Br1.46 N4 O0.55 -","- C87 H105.545 B2 Br1.455 N4 O0.545 -","- C174 H211.09 B4 Br2.91 N8 O1.09 -","2","1","","Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie","One- and two-electron reductions of a bulky BODIPY compound","Dalton Transactions","2023","","","","","10.1039/D3DT02048G","","","1.54184","CuKα","","0.0561","0.0486","","","0.126","0.129","","","","","","1.027","","","","has coordinates,has disorder","285278","2023-07-19","22:54:22",""
"7713492","10.39","0.0003","14.6043","0.0003","15.6325","0.0004","81.88","0.002","73.939","0.002","89.774","0.002","2255.08","0.1","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H63 B Br2 N2 -","- C48 H63 B Br2 N2 -","- C96 H126 B2 Br4 N4 -","2","1","","Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie","One- and two-electron reductions of a bulky BODIPY compound","Dalton Transactions","2023","","","","","10.1039/D3DT02048G","","","1.54184","CuKα","","0.0385","0.0341","","","0.0861","0.0895","","","","","","1.034","","","","has coordinates,has disorder","285278","2023-07-19","22:54:22",""
"7713493","11.2816","0.0002","36.4512","0.0008","26.0374","0.0005","90","","96.278","0.002","90","","10643.1","0.4","150.01","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H144 B2 F2 Mg N4 O2 -","- C122 H144 B2 F2 Mg N4 O2 -","- C488 H576 B8 F8 Mg4 N16 O8 -","4","1","","Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie","One- and two-electron reductions of a bulky BODIPY compound","Dalton Transactions","2023","","","","","10.1039/D3DT02048G","","","1.54184","CuKα","","0.1563","0.0925","","","0.2435","0.2897","","","","","","1.001","","","","has coordinates,has disorder","285278","2023-07-19","22:54:22",""
"7713494","9.0134","0.0005","17.7872","0.001","13.5846","0.0007","90","","92.92","0.005","90","","2175.1","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 As Br Cu N2 -","- C22 H20 As Br Cu N2 -","- C88 H80 As4 Br4 Cu4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1376","0.0551","","","0.1292","0.1631","","","","","","1.013","","","","has coordinates,has disorder","285280","2023-07-19","22:58:00",""
"7713495","9.0141","0.0004","18.1787","0.0007","13.2265","0.0005","90","","93.407","0.004","90","","2163.52","0.15","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 As Cu I N2 -","- C22 H20 As Cu I N2 -","- C88 H80 As4 Cu4 I4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0715","0.0464","","","0.1159","0.137","","","","","","1.063","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713496","9.1823","0.0006","9.3671","0.0006","13.2547","0.001","106.042","0.006","106.406","0.006","93.631","0.005","1038.62","0.13","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 As Br Cu N -","- C23 H19 As Br Cu N -","- C46 H38 As2 Br2 Cu2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1207","0.0557","","","0.1111","0.1469","","","","","","0.976","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713497","9.0254","0.0006","18.474","0.0011","13.4547","0.0008","90","","93.711","0.006","90","","2238.7","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 As Cu I N2 -","- C22 H20 As Cu I N2 -","- C88 H80 As4 Cu4 I4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1182","0.0546","","","0.1181","0.1546","","","","","","1.012","","","","has coordinates,has disorder","285280","2023-07-19","22:58:01",""
"7713498","9.113","0.0006","9.3168","0.0006","13.106","0.001","105.787","0.006","107.216","0.006","93.177","0.005","1011.55","0.13","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 As Br Cu N -","- C23 H19 As Br Cu N -","- C46 H38 As2 Br2 Cu2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1016","0.0535","","","0.1011","0.1224","","","","","","0.977","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713499","9.2707","0.0006","9.444","0.0007","13.405","0.0008","107.068","0.006","106.86","0.005","92.999","0.005","1061.54","0.13","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 As Cu I N -","- C23 H19 As Cu I N -","- C46 H38 As2 Cu2 I2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0647","0.0339","","","0.0602","0.0718","","","","","","0.981","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713500","8.9514","0.0009","17.5709","0.0012","13.4058","0.001","90","","93.449","0.007","90","","2104.7","0.3","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 As Br Cu N2 -","- C22 H20 As Br Cu N2 -","- C88 H80 As4 Br4 Cu4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1959","0.0821","","","0.1788","0.228","","","","","","1.042","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713501","9.2109","0.0004","9.4136","0.0004","13.2644","0.0005","106.91","0.004","107.494","0.004","92.513","0.003","1038.58","0.08","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 As Cu I N -","- C23 H19 As Cu I N -","- C46 H38 As2 Cu2 I2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0683","0.0392","","","0.067","0.0758","","","","","","0.982","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713502","8.3728","0.0006","9.7085","0.0004","14.2996","0.0006","79.229","0.004","73.38","0.005","65.029","0.006","1006.77","0.11","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 As Br Cu N -","- C22 H18 As Br Cu N -","- C44 H36 As2 Br2 Cu2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1687","0.0547","","","0.0922","0.1315","","","","","","0.99","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713503","8.2303","0.0007","9.6677","0.0005","14.0746","0.0006","79.127","0.004","73.63","0.005","65.301","0.006","972.96","0.12","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 As Br Cu N -","- C22 H18 As Br Cu N -","- C44 H36 As2 Br2 Cu2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.106","0.065","","","0.1314","0.1599","","","","","","1","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713504","9.061","0.0003","17.999","0.0008","13.5485","0.0007","90","","92.962","0.004","90","","2206.66","0.17","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H21 As Br Cu N2 -","- C22.5 H21 As Br Cu N2 -","- C90 H84 As4 Br4 Cu4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1233","0.0484","","","0.0975","0.1231","","","","","","1.002","","","","has coordinates,has disorder","285280","2023-07-19","22:58:01",""
"7713505","9.0669","0.0003","17.901","0.0007","13.4554","0.0006","90","","93.153","0.004","90","","2180.59","0.15","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H21 As Br Cu N2 -","- C22.5 H21 As Br Cu N2 -","- C90 H84 As4 Br4 Cu4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.048","0.0333","","","0.0707","0.0767","","","","","","1.05","","","","has coordinates,has disorder","285280","2023-07-19","22:58:01",""
"7713506","8.2982","0.0005","9.91","0.0005","14.3498","0.0007","87.152","0.004","73.435","0.005","65.89","0.005","1029.4","0.11","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 As Cu I N -","- C22 H18 As Cu I N -","- C44 H36 As2 Cu2 I2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1289","0.0491","","","0.068","0.0945","","","","","","0.971","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713507","8.1584","0.0007","9.8905","0.0009","14.1201","0.001","87.768","0.007","74.119","0.007","66.475","0.009","1001.6","0.17","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 As Cu I N -","- C22 H18 As Cu I N -","- C44 H36 As2 Cu2 I2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0891","0.0521","","","0.111","0.1333","","","","","","1.009","","","","has coordinates","285280","2023-07-19","22:58:01",""
"7713508","8.9916","0.0005","18.754","0.0008","13.3544","0.0007","90","","94.323","0.005","90","","2245.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H22 As Cu I N2 -","- C22.5 H22 As Cu I N2 -","- C90 H88 As4 Cu4 I4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.1289","0.1421","","","","","","1.091","","","","has coordinates,has disorder","285280","2023-07-19","22:58:02",""
"7713509","9.0308","0.0003","18.6283","0.0009","13.245","0.0004","90","","94.467","0.003","90","","2221.42","0.15","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H21 As Cu I N2 -","- C22.5 H21 As Cu I N2 -","- C90 H84 As4 Cu4 I4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0754","0.0443","","","0.0944","0.1074","","","","","","1.058","","","","has coordinates,has disorder","285280","2023-07-19","22:58:02",""
"7713510","9.0527","0.0004","19.0423","0.001","13.4001","0.0008","90","","94.435","0.005","90","","2303","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 As Cu I N2 -","- C23 H22 As Cu I N2 -","- C92 H88 As4 Cu4 I4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0714","0.048","","","0.1211","0.1441","","","","","","1.039","","","","has coordinates,has disorder","285280","2023-07-19","22:58:02",""
"7713511","10.6319","0.0005","12.0913","0.0008","14.9764","0.0008","90.834","0.005","104.965","0.005","101.163","0.005","1820.54","0.19","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 As2 Br2 Cu2 N2 -","- C40 H34 As2 Br2 Cu2 N2 -","- C80 H68 As4 Br4 Cu4 N4 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0836","0.0643","","","0.1581","0.1765","","","","","","1.022","","","","has coordinates","285280","2023-07-19","22:58:02",""
"7713512","10.5878","0.0008","12.3966","0.0009","15.0747","0.0011","92.553","0.006","103.998","0.006","102.104","0.006","1867.7","0.2","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 As2 Br2 Cu2 N2 -","- C40 H34 As2 Br2 Cu2 N2 -","- C80 H68 As4 Br4 Cu4 N4 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1251","0.0581","","","0.1327","0.1694","","","","","","0.975","","","","has coordinates","285280","2023-07-19","22:58:03",""
"7713513","9.0551","0.0004","19.0468","0.001","13.4017","0.0008","90","","94.43","0.005","90","","2304.5","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 As Cu I N2 -","- C23 H22 As Cu I N2 -","- C92 H88 As4 Cu4 I4 N8 -","4","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1087","0.0551","","","0.1309","0.1684","","","","","","1.023","","","","has coordinates","285280","2023-07-19","22:58:03",""
"7713514","10.6943","0.0015","12.442","0.0016","15.2","0.002","92.592","0.011","104.505","0.013","102.386","0.011","1902","0.5","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 As2 Cu2 I2 N2 -","- C40 H34 As2 Cu2 I2 N2 -","- C80 H68 As4 Cu4 I4 N4 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.1906","0.0701","","","0.122","0.181","","","","","","0.951","","","","has coordinates","285280","2023-07-19","22:58:04",""
"7713515","8.3969","0.0004","9.2516","0.0005","14.59","0.0006","79.061","0.004","75.393","0.004","63.563","0.005","978.15","0.09","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 As Br Cu N -","- C21 H19 As Br Cu N -","- C42 H38 As2 Br2 Cu2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0702","0.0377","","","0.0599","0.0725","","","","","","1.009","","","","has coordinates","285280","2023-07-19","22:58:04",""
"7713516","8.318","0.0004","9.224","0.0005","14.4429","0.0008","78.464","0.005","75.122","0.005","63.542","0.005","954.11","0.1","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 As Br Cu N -","- C21 H19 As Br Cu N -","- C42 H38 As2 Br2 Cu2 N2 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.0546","0.0354","","","0.0684","0.0771","","","","","","1.052","","","","has coordinates","285280","2023-07-19","22:58:04",""
"7713517","10.729","0.0008","12.2506","0.0009","15.0848","0.0012","90.728","0.006","105.226","0.007","102.281","0.006","1864.4","0.3","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 As2 Cu2 I2 N2 -","- C40 H34 As2 Cu2 I2 N2 -","- C80 H68 As4 Cu4 I4 N4 -","2","1","","Kikuchi, Kazuma; Imoto, Hiroaki; Naka, Kensuke","Robust and highly emissive copper(I) halide 1D-coordination polymers with triphenylarsine and a series of bridging N-heteroaromatic co-ligands","Dalton Transactions","2023","","","","","10.1039/D3DT00784G","","x-ray","0.71073","MoKα","","0.2045","0.0676","","","0.1022","0.1765","","","","","","0.913","","","","has coordinates","285280","2023-07-19","22:58:04",""
"7713518","17.33","0.0006","11.3842","0.0005","23.0199","0.0011","90","","90","","90","","4541.6","0.3","200.01","0.1","200.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H30.5 Cl F3 N O9 S -","- C15 H30.5 Cl F3 N O9 S -","- C120 H244 Cl8 F24 N8 O72 S8 -","8","2","","Song, Ning; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun Zhi; Liao, Juan; Wang, Li Juan; Wang, Fang Xin; Wan, Ming-Yang","2-Chloroethylamine·Trifluoromethanesulfonate Combined with 18-Crown-6: a Ferroelectric with Excellent Dielectric Switching Properties","Dalton Transactions","2023","","","","","10.1039/D3DT01426F","","x-ray","0.71073","MoKα","","0.1521","0.1179","","","0.2916","0.3191","","","","","","1.163","","","","has coordinates","285281","2023-07-19","22:59:45",""
"7713519","8.8615","0.0011","11.5618","0.0018","23.392","0.003","90","","90","","90","","2396.6","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H25 Cl F3 N O9 S -","- C14.999 H25 Cl F3 N O9 S -","- C59.996 H100 Cl4 F12 N4 O36 S4 -","4","0.5","","Song, Ning; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun Zhi; Liao, Juan; Wang, Li Juan; Wang, Fang Xin; Wan, Ming-Yang","2-Chloroethylamine·Trifluoromethanesulfonate Combined with 18-Crown-6: a Ferroelectric with Excellent Dielectric Switching Properties","Dalton Transactions","2023","","","","","10.1039/D3DT01426F","","x-ray","0.71073","MoKα","","0.118","0.0722","","","0.2304","0.28","","","","","","1.083","","","","has coordinates,has disorder","285281","2023-07-19","22:59:45",""
"7713520","16.7903","0.0015","5.3088","0.0004","11.5314","0.0005","90","","90","","90","","1027.87","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 H6 O18 P6 Zn2 -","- Ba4 H6 O18 P6 Zn2 -","- Ba8 H12 O36 P12 Zn4 -","2","0.25","","Zhang, Yu; Liu, Xia; Liu, Qian-Yan; Wang, Jianhua; HU, Ting; Lin, Yan-Mei; Zhang, Jian-Han","CaZn(HPO3)2 and Ba2Zn(HPO3)3 : Novel Alkaline-Earth Zincophosphites with Diversified Anionic Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT01321A","","","0.71073","MoKα","","0.0564","0.0336","","","0.0664","0.0731","","","","","","0.969","","","","has coordinates","285282","2023-07-19","23:00:25",""
"7713521","5.4232","0.0002","7.6786","0.0003","14.1575","0.0005","90","","91.882","0.003","90","","589.24","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ca2 H4 O12 P4 Zn2 -","- Ca2 H4 O12 P4 Zn2 -","- Ca4 H8 O24 P8 Zn4 -","2","0.5","","Zhang, Yu; Liu, Xia; Liu, Qian-Yan; Wang, Jianhua; HU, Ting; Lin, Yan-Mei; Zhang, Jian-Han","CaZn(HPO3)2 and Ba2Zn(HPO3)3 : Novel Alkaline-Earth Zincophosphites with Diversified Anionic Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT01321A","","x-ray","0.71073","MoKα","","0.0323","0.025","","","0.0551","0.057","","","","","","1.091","","","","has coordinates","285282","2023-07-19","23:00:26",""
"7713522","10.68048","0.00015","11.3883","0.0001","12.62996","0.00013","72.3194","0.0008","67.0804","0.0011","84.0598","0.0009","1347.91","0.03","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H56 Cu2 N4 O12 S4 -","- C52 H56 Cu2 N4 O12 S4 -","- C52 H56 Cu2 N4 O12 S4 -","1","1","","Fan, Rong; Wei , Jing-Chen; Xu, Bing-Bing; Jin, Nan; Gong, Xiao-Yi; Qin, Xiuying","A novel chiral oxazoline copper(Ⅱ)-based complex inhibits ovarian cancer growth in vitro and vivo by regulating VEGF/VEGFR2 downstream signaling pathways and apoptosis factors","Dalton Transactions","2023","","","","","10.1039/D3DT01648J","","","1.54184","CuKα","","0.0882","0.0878","","","0.2411","0.2431","","","","","","1.003","","","","has coordinates,has disorder","285283","2023-07-19","23:00:48",""
"7713523","16.5315","0.0004","9.7435","0.0002","17.5103","0.0004","90","","110.888","0.001","90","","2635.1","0.1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Br2 Mn N4 O6 Re -","- C22 H26 Br2 Mn N4 O6 Re -","- C88 H104 Br8 Mn4 N16 O24 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0576","0.0449","","","0.0995","0.1064","","","","","","1.048","","","","has coordinates","285284","2023-07-19","23:02:01",""
"7713524","16.8874","0.0005","9.7792","0.0002","17.5098","0.0005","90","","111.05","0.002","90","","2698.69","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Br2 Mn N4 O6 Re -","- C22 H26 Br2 Mn N4 O6 Re -","- C88 H104 Br8 Mn4 N16 O24 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.1045","0.0473","","","0.1049","0.1287","","","","","","1.014","","","","has coordinates","285284","2023-07-19","23:02:01",""
"7713525","16.5509","0.0004","9.5613","0.0003","17.3601","0.0005","90","","110.909","0.001","90","","2566.3","0.13","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl2 Mn N4 O6 Re -","- C22 H26 Cl2 Mn N4 O6 Re -","- C88 H104 Cl8 Mn4 N16 O24 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0683","0.051","","","0.1295","0.1383","","","","","","1.069","","","","has coordinates","285284","2023-07-19","23:02:01",""
"7713526","17.041","0.0006","9.3416","0.0003","17.2843","0.0005","90","","111.284","0.001","90","","2563.82","0.14","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl2 Mn N4 O6 Re -","- C22 H26 Cl2 Mn N4 O6 Re -","- C88 H104 Cl8 Mn4 N16 O24 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0434","0.0316","","","0.0676","0.0738","","","","","","1.073","","","","has coordinates","285284","2023-07-19","23:02:01",""
"7713527","14.4389","0.0004","9.5636","0.0002","19.3303","0.0005","90","","93.386","0.001","90","","2664.62","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Mn N6 O10 Re -","- C22 H26 Mn N6 O10 Re -","- C88 H104 Mn4 N24 O40 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0576","0.0431","","","0.0948","0.1018","","","","","","1.035","","","","has coordinates","285284","2023-07-19","23:02:02",""
"7713528","11.3354","0.0004","19.483","0.0008","13.7919","0.0005","90","","97.997","0.002","90","","3016.3","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br4 Mn N4 O6 Re -","- C22 H24 Br4 Mn N4 O6 Re -","- C88 H96 Br16 Mn4 N16 O24 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0929","0.0411","","","0.0689","0.0808","","","","","","1.012","","","","has coordinates","285284","2023-07-19","23:02:02",""
"7713529","14.5871","0.0008","9.6713","0.0005","19.4954","0.0011","90","","92.346","0.003","90","","2748","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Mn N6 O10 Re -","- C22 H26 Mn N6 O10 Re -","- C88 H104 Mn4 N24 O40 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.123","0.0465","","","0.0769","0.0942","","","","","","1.028","","","","has coordinates","285284","2023-07-19","23:02:02",""
"7713530","16.6231","0.0005","9.7269","0.0003","17.4936","0.0005","90","","110.779","0.001","90","","2644.58","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl2 Mn N4 O6 Re -","- C22 H26 Cl2 Mn N4 O6 Re -","- C88 H104 Cl8 Mn4 N16 O24 Re4 -","4","1","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.065","0.0415","","","0.094","0.1059","","","","","","1.023","","","","has coordinates","285284","2023-07-19","23:02:02",""
"7713531","18.4496","0.0005","17.9295","0.0005","33.6445","0.0009","90","","90","","90","","11129.3","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl4 Mn N4 O6 Re -","- C22 H24 Cl4 Mn N4 O6 Re -","- C352 H384 Cl64 Mn16 N64 O96 Re16 -","16","2","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0469","0.0286","","","0.0487","0.0544","","","","","","1.03","","","","has coordinates","285284","2023-07-19","23:02:02",""
"7713532","9.864","0.005","11.826","0.005","12.34","0.005","97.02","0.005","97.396","0.005","93.179","0.005","1413.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Cl4 Mg N10 -","- C54 H40 Cl4 Mg N10 -","- C54 H40 Cl4 Mg N10 -","1","0.5","","Choudhury, Abdul K.; Sarkar, Rudra; Bhuyan, Jagannath","Histamine-bound magnesium porphyrins: diverse coordination modes, inhibitory role in photodegradation of chlorophyll a and antioxidant activity","Dalton Transactions","2023","","","","","10.1039/D3DT01309J","","","0.71073","MoKα","","0.1261","0.0716","","","0.1994","0.2161","","","","","","1.08","","","","has coordinates","285285","2023-07-19","23:02:51",""
"7713533","10.951","0.005","13.513","0.005","19.734","0.005","71.346","0.005","83.878","0.005","81.022","0.005","2727.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H32 Br4 Mg N7 -","- C49 H32 Br4 Mg N7 -","- C98 H64 Br8 Mg2 N14 -","2","1","","Choudhury, Abdul K.; Sarkar, Rudra; Bhuyan, Jagannath","Histamine-bound magnesium porphyrins: diverse coordination modes, inhibitory role in photodegradation of chlorophyll a and antioxidant activity","Dalton Transactions","2023","","","","","10.1039/D3DT01309J","","","0.71069","MoKα","","0.1245","0.0894","","","0.2647","0.2888","","","","","","1.046","","","","has coordinates","285285","2023-07-19","23:02:51",""
"7713534","11.9709","0.0006","11.5289","0.0005","14.3295","0.0007","90","","112.951","0.002","90","","1821.08","0.15","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Villaman, David; Vega, Andres; Santa María de la Parra, Lucía; Leon, Ignacio; Levin, Pedro; Toro, Patricia M.","Anticancer activity of Ni(II) and Zn(II) complexes based on new unsymmetrical salophen-type ligands: Synthesis, characterization and single-crystal X-ray diffraction","Dalton Transactions","2023","","","","","10.1039/D3DT00800B","","","0.71073","MoKα","","0.0855","0.0546","","","0.1596","0.1849","","","","","","1.031","","","","has coordinates","285286","2023-07-19","23:03:50",""
"7713535","8.142","0.005","10.284","0.005","11.733","0.006","90.098","0.016","93.951","0.016","100.46","0.012","963.7","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 Ni O5 -","- C21 H20 N2 Ni O5 -","- C42 H40 N4 Ni2 O10 -","2","1","","Villaman, David; Vega, Andres; Santa María de la Parra, Lucía; Leon, Ignacio; Levin, Pedro; Toro, Patricia M.","Anticancer activity of Ni(II) and Zn(II) complexes based on new unsymmetrical salophen-type ligands: Synthesis, characterization and single-crystal X-ray diffraction","Dalton Transactions","2023","","","","","10.1039/D3DT00800B","","","0.71073","MoKα","","0.0689","0.0436","","","0.1134","0.1347","","","","","","1.09","","","","has coordinates","285286","2023-07-19","23:03:51",""
"7713536","11.2066","0.0007","11.7649","0.0009","13.5458","0.001","90","","102.15","0.003","90","","1745.9","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 Ni O4 -","- C20 H18 N2 Ni O4 -","- C80 H72 N8 Ni4 O16 -","4","1","","Villaman, David; Vega, Andres; Santa María de la Parra, Lucía; Leon, Ignacio; Levin, Pedro; Toro, Patricia M.","Anticancer activity of Ni(II) and Zn(II) complexes based on new unsymmetrical salophen-type ligands: Synthesis, characterization and single-crystal X-ray diffraction","Dalton Transactions","2023","","","","","10.1039/D3DT00800B","","","0.71073","MoKα","","0.0727","0.0439","","","0.1017","0.1156","","","","","","1.014","","","","has coordinates","285286","2023-07-19","23:03:51",""
"7713537","22.8904","0.0011","14.1561","0.0006","24.2635","0.0013","90","","90","","90","","7862.3","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C336 H352 N32 O80 -","16","2","","Villaman, David; Vega, Andres; Santa María de la Parra, Lucía; Leon, Ignacio; Levin, Pedro; Toro, Patricia M.","Anticancer activity of Ni(II) and Zn(II) complexes based on new unsymmetrical salophen-type ligands: Synthesis, characterization and single-crystal X-ray diffraction","Dalton Transactions","2023","","","","","10.1039/D3DT00800B","","","0.71073","MoKα","","0.1167","0.0579","","","0.1484","0.1875","","","","","","1.002","","","","has coordinates,has disorder","285286","2023-07-19","23:03:51",""
"7713538","21.9592","0.0003","11.3026","0.0001","13.1315","0.0002","90","","101.67","0.001","90","","3191.82","0.07","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Br1.3 Cl0.7 Mn N2 O2 P2 -","- C34 H28 Br1.304 Cl0.696 Mn N2 O2 P2 -","- C136 H112 Br5.216 Cl2.784 Mn4 N8 O8 P8 -","4","0.5","","Mansour, Ahmed M.; Khaled, Rabaa M.; Radacki, Krzysztof; Younes, Zeina; Gamal, Mariam; Guirguis, Beatrice; Mostafa, Gamal A. E.; Ali, Essam A.; Shehab, Ola R.","<i>In vitro</i> cytotoxicity of Mn(I) and Ru(II) carbonyls with a diphenyl pyridyl phosphine coligand towards leukaemia.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01798b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0218","0.0216","","","0.0544","0.0545","","","","","","1.055","","","","has coordinates","285287","2023-07-19","23:04:45",""
"7713539","11.37234","0.00009","10.76781","0.00008","25.48891","0.00016","90","","93.5906","0.0007","90","","3115.12","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl2 N2 O P2 Ru -","- C35 H28 Cl2 N2 O P2 Ru -","- C140 H112 Cl8 N8 O4 P8 Ru4 -","4","1","","Mansour, Ahmed M.; Khaled, Rabaa M.; Radacki, Krzysztof; Younes, Zeina; Gamal, Mariam; Guirguis, Beatrice; Mostafa, Gamal A. E.; Ali, Essam A.; Shehab, Ola R.","<i>In vitro</i> cytotoxicity of Mn(I) and Ru(II) carbonyls with a diphenyl pyridyl phosphine coligand towards leukaemia.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01798b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0306","0.0303","","","0.0765","0.0768","","","","","","1.106","","","","has coordinates,has disorder","285287","2023-07-19","23:04:45",""
"7713540","11.128","0.003","11.721","0.003","15.731","0.004","108.667","0.013","90.773","0.013","115.078","0.013","1733.8","0.8","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H56 Ge N4 -","- C35 H56 Ge N4 -","- C70 H112 Ge2 N8 -","2","1","","Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying","Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode","Dalton Transactions","2023","","","","","10.1039/D3DT02094K","","","0.71073","MoKα","","0.0636","0.0416","","","0.0991","0.1073","","","","","","1.002","","","","has coordinates","285301","2023-07-20","22:53:39",""
"7713541","16.1758","0.0009","14.0586","0.0006","9.7277","0.0005","90","","90","","90","","2212.17","0.19","296.15","","296.15","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C24 H34 N2 -","- C24 H34 N2 -","- C96 H136 N8 -","4","0.5","","Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying","Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode","Dalton Transactions","2023","","","","","10.1039/D3DT02094K","","","0.71073","MoKα","","0.0549","0.0438","","","0.1222","0.1312","","","","","","1.034","","","","has coordinates","285301","2023-07-20","22:53:40",""
"7713542","13.4421","0.0002","19.12","0.0003","14.3811","0.0003","90","","101.662","0.001","90","","3619.83","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H108 Cu4 Ge2 N8 -","- C70 H108 Cu4 Ge2 N8 -","- C140 H216 Cu8 Ge4 N16 -","2","0.5","","Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying","Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode","Dalton Transactions","2023","","","","","10.1039/D3DT02094K","","","0.71073","MoKα","","0.1337","0.0557","","","0.1309","0.1644","","","","","","0.975","","","","has coordinates,has disorder","285301","2023-07-20","22:53:40",""
"7713543","10.278","0.0004","10.8626","0.0004","11.2179","0.0005","104.378","0.002","98.823","0.002","99.932","0.002","1169.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H74 Li2 N6 -","- C46 H74 Li2 N6 -","- C46 H74 Li2 N6 -","1","0.5","","Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying","Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode","Dalton Transactions","2023","","","","","10.1039/D3DT02094K","","","0.71073","MoKα","","0.0908","0.0642","","","0.1935","0.2169","","","","","","1.047","","","","has coordinates","285301","2023-07-20","22:53:40",""
"7713544","19.841","0.003","12.724","0.002","22.94","0.004","90","","99.625","0.007","90","","5709.8","1.6","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H83 Ga3 P2 Ru -","- C62 H83 Ga3 P2 Ru -","- C248 H332 Ga12 P8 Ru4 -","4","1","","Bühler, Raphael; Muhr, Maximilian; Stephan, Johannes; Wolf, Robert; Schütz, Max; Gemel, Christian; Fischer, Roland A.","Photochemically Generated Reactive Sites at Ruthenium/Gallium Complexes: Catalysis vs. Cluster Growth.","Dalton Transactions","2023","","","","","10.1039/D3DT01847D","","x-ray","0.71073","MoKα","","0.1073","0.0496","","","0.086","0.1037","","","","","","1.021","","","","has coordinates","285302","2023-07-20","22:54:36",""
"7713545","12.268","0.004","19.291","0.007","21.58","0.006","90","","90","","90","","5107","3","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H88.07 Ga3 P2 Ru -","- C48 H88.06 Ga3 P2 Ru -","- C192 H352.24 Ga12 P8 Ru4 -","4","1","","Bühler, Raphael; Muhr, Maximilian; Stephan, Johannes; Wolf, Robert; Schütz, Max; Gemel, Christian; Fischer, Roland A.","Photochemically Generated Reactive Sites at Ruthenium/Gallium Complexes: Catalysis vs. Cluster Growth.","Dalton Transactions","2023","","","","","10.1039/D3DT01847D","","x-ray","0.71073","MoKα","","0.0183","0.0172","","","0.0451","0.0455","","","","","","1.051","","","","has coordinates,has disorder","285302","2023-07-20","22:54:36",""
"7713546","16.261","0.003","11.225","0.003","16.025","0.003","90","","103.873","0.01","90","","2839.7","1.1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Cl N P Ru -","- C32 H37 Cl N P Ru -","- C128 H148 Cl4 N4 P4 Ru4 -","4","1","","Kindervater, Meagan B.; Staroverov, Viktor N.; Jackman, Kyle M. K.; Fogh, Amanda A.; Kelley, Leslie S. G.; Lim, Lisabeth; Sirohey, Sofia A.; Boyle, Paul D.; Blacquiere, Johanna M.","Operationally unsaturated ruthenium complex stabilized by a phosphine 1-azaallyl ligand.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04020d","","","0.71073","MoKα","","0.0616","0.0394","","","0.0835","0.0918","","","","","","1.036","","","","has coordinates","285303","2023-07-20","22:55:26",""
"7713547","10.509","0.004","14.918","0.006","19.744","0.007","90","","98.065","0.011","90","","3065","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 N2 P Ru -","- C37 H41 N2 P Ru -","- C148 H164 N8 P4 Ru4 -","4","1","","Kindervater, Meagan B.; Staroverov, Viktor N.; Jackman, Kyle M. K.; Fogh, Amanda A.; Kelley, Leslie S. G.; Lim, Lisabeth; Sirohey, Sofia A.; Boyle, Paul D.; Blacquiere, Johanna M.","Operationally unsaturated ruthenium complex stabilized by a phosphine 1-azaallyl ligand.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04020d","","","0.71073","MoKα","","0.0525","0.0331","","","0.0697","0.0777","","","","","","1.015","","","","has coordinates","285303","2023-07-20","22:55:26",""
"7713548","4.1841","0.0011","6.1161","0.0015","9.091","0.002","90","","90","","90","","232.64","0.1","293","2","293","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C Al Co2 La2 -","- C Al Co2 La2 -","- C2 Al2 Co4 La4 -","2","0.125","","Nesterenko, Sergey N.; Tursina, Anna; Kuznetsov, Alexey N.","Extending interstitial tetrelides into carbides: synthesis, crystal, and electronic structure of RE2Co2AlC (RE=La, Pr, Nd)","Dalton Transactions","2023","","","","","10.1039/D3DT01877F","","","0.56087","AgKα","","0.0216","0.0184","","","0.046","0.0469","","","","","","1.111","","","","has coordinates","285311","2023-07-21","22:52:04",""
"7713549","4.1168","0.0015","6.1131","0.0017","8.792","0.005","90","","90","","90","","221.26","0.16","293","2","293","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C Al Co2 Nd2 -","- C Al Co2 Nd2 -","- C2 Al2 Co4 Nd4 -","2","0.125","","Nesterenko, Sergey N.; Tursina, Anna; Kuznetsov, Alexey N.","Extending interstitial tetrelides into carbides: synthesis, crystal, and electronic structure of RE2Co2AlC (RE=La, Pr, Nd)","Dalton Transactions","2023","","","","","10.1039/D3DT01877F","","","0.56087","AgKα","","0.0359","0.0329","","","0.0846","0.0863","","","","","","1.126","","","","has coordinates","285311","2023-07-21","22:52:04",""
"7713550","4.129","0.0009","6.1152","0.0018","8.844","0.003","90","","90","","90","","223.31","0.11","293","2","293","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C Al Co2 Pr2 -","- C Al Co2 Pr2 -","- C2 Al2 Co4 Pr4 -","2","0.125","","Nesterenko, Sergey N.; Tursina, Anna; Kuznetsov, Alexey N.","Extending interstitial tetrelides into carbides: synthesis, crystal, and electronic structure of RE2Co2AlC (RE=La, Pr, Nd)","Dalton Transactions","2023","","","","","10.1039/D3DT01877F","","","0.56087","AgKα","","0.0232","0.0223","","","0.0633","0.0637","","","","","","1.181","","","","has coordinates","285311","2023-07-21","22:52:04",""
"7713551","34.992","0.005","17.836","0.005","21.716","0.005","90","0.005","90","0.005","90","0.005","13553","5","100","","100","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C24 H25 N5 O4 Zn -","- C24 H25 N5 O4 Zn -","- C384 H400 N80 O64 Zn16 -","16","1","","Gupta, Mayank; Daoo, Varad; Singh, Jayant K.","Amine decorated MOF for Direct Capture of CO2 from Ambient Air","Dalton Transactions","2023","","","","","10.1039/D3DT01455J","","x-ray","0.71069","MoKα","","0.1525","0.0948","","","0.2696","0.3174","","","","","","1.033","","","","has coordinates","285312","2023-07-21","22:52:41",""
"7713552","11.8185","0.0012","12.4335","0.0015","15.9472","0.0017","89.192","0.004","71.996","0.004","87.743","0.004","2226.9","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H58 N4 P Sc -","- C51 H58 N4 P Sc -","- C102 H116 N8 P2 Sc2 -","2","1","","You, Fen; Wang, Jixing; Liu, Hui; Kang, Xiaohui; Shi, Xiaochao","Phosphine-functionalized amidinate ligated rare-earth metal complexes for highly 3,4-selective living polymerization of 1,3-conjugated dienes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04167g","","","0.71073","MoKα","","0.1831","0.0955","","","0.2159","0.2731","","","","","","1.001","","","","has coordinates","285313","2023-07-21","22:54:48",""
"7713553","11.8911","0.0006","15.1281","0.0007","27.9116","0.0014","93.267","0.003","90.002","0.004","101.27","0.003","4915.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C55.75 H70.75 N4 P Sc -","- C52 H62 N4 P Sc -","- C208 H248 N16 P4 Sc4 -","4","2","","You, Fen; Wang, Jixing; Liu, Hui; Kang, Xiaohui; Shi, Xiaochao","Phosphine-functionalized amidinate ligated rare-earth metal complexes for highly 3,4-selective living polymerization of 1,3-conjugated dienes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04167g","","","1.54178","CuKα","","0.0966","0.0614","","","0.1481","0.1677","","","","","","1.009","","","","has coordinates","285313","2023-07-21","22:54:48",""
"7713554","13.8049","0.0004","37.9296","0.0013","13.908","0.0005","90","","116.381","0.001","90","","6524","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H84 B N3 O2 P Sc -","- C74 H84 B N3 O2 P Sc -","- C296 H336 B4 N12 O8 P4 Sc4 -","4","2","","You, Fen; Wang, Jixing; Liu, Hui; Kang, Xiaohui; Shi, Xiaochao","Phosphine-functionalized amidinate ligated rare-earth metal complexes for highly 3,4-selective living polymerization of 1,3-conjugated dienes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04167g","","","0.71073","MoKα","","0.0991","0.0588","","","0.1211","0.1367","","","","","","1.024","","","","has coordinates","285313","2023-07-21","22:54:48",""
"7713555","12.9989","0.0003","14.2479","0.0003","23.6414","0.0003","87.179","0.002","82.799","0.002","72.186","0.002","4135.47","0.15","289.99","0.1","289.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H114 Cu3 O29 Ti6 -","- C52 H114 Cu3 O29 Ti6 -","- C104 H228 Cu6 O58 Ti12 -","2","1","","Lin, Xin; Yu, Yinghua; Chen, Guang-Hui; Li, Qiao-Hong; Zhang, Lei; Zhang, Jian","Ligands dependent structural diversity and optimizable CO2 chemical fixation activities of Cu-doped polyoxo-titanium clusters","Dalton Transactions","2023","","","","","10.1039/D3DT01718D","","x-ray","1.3405","GaKα","","0.1524","0.0844","","","0.1932","0.2244","","","","","","1.042","","","","has coordinates,has disorder","285327","2023-07-24","22:54:45",""
"7713556","11.6608","0.0002","19.3473","0.0004","20.8404","0.0003","90","","91.041","0.002","90","","4700.92","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H114 Br2 Cu2 O34 Ti8 -","- C60 H114 Br2 Cu2 O34 Ti8 -","- C120 H228 Br4 Cu4 O68 Ti16 -","2","0.5","","Lin, Xin; Yu, Yinghua; Chen, Guang-Hui; Li, Qiao-Hong; Zhang, Lei; Zhang, Jian","Ligands dependent structural diversity and optimizable CO2 chemical fixation activities of Cu-doped polyoxo-titanium clusters","Dalton Transactions","2023","","","","","10.1039/D3DT01718D","","x-ray","1.3405","GaKα","","0.1316","0.0886","","","0.239","0.2675","","","","","","1.06","","","","has coordinates,has disorder","285327","2023-07-24","22:54:46",""
"7713557","24.5562","0.0014","29.6251","0.0015","30.6831","0.0017","90","","111.029","0.007","90","","20835","2","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H179 Cu3 O101 Ti29 -","- C91 H179 Cu3 O101 Ti29 -","- C364 H716 Cu12 O404 Ti116 -","4","1","","Lin, Xin; Yu, Yinghua; Chen, Guang-Hui; Li, Qiao-Hong; Zhang, Lei; Zhang, Jian","Ligands dependent structural diversity and optimizable CO2 chemical fixation activities of Cu-doped polyoxo-titanium clusters","Dalton Transactions","2023","","","","","10.1039/D3DT01718D","","x-ray","1.3405","GaKα","","0.1878","0.0957","","","0.2816","0.343","","","","","","0.998","","","","has coordinates,has disorder","285327","2023-07-24","22:54:46",""
"7713558","16.0885","0.0004","44.2441","0.0008","33.12","0.0004","90","","94.155","0.0015","90","","23513.6","0.8","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cu3 O57 Ti16 -","- C70 H150 Cu3 O57 Ti16 -","- C560 H1200 Cu24 O456 Ti128 -","8","2","","Lin, Xin; Yu, Yinghua; Chen, Guang-Hui; Li, Qiao-Hong; Zhang, Lei; Zhang, Jian","Ligands dependent structural diversity and optimizable CO2 chemical fixation activities of Cu-doped polyoxo-titanium clusters","Dalton Transactions","2023","","","","","10.1039/D3DT01718D","","x-ray","1.3405","GaKα","","0.1606","0.0816","","","0.1983","0.2432","","","","","","1.043","","","","has coordinates,has disorder","285327","2023-07-24","22:54:46",""
"7713559","9.8878","0.0007","8.4324","0.0007","15.4023","0.0012","90","","98.845","0.007","90","","1268.94","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H33 N5 -","- C29 H33 N5 -","- C58 H66 N10 -","2","1","","P. Ferreira, Millena; Bezerra Castro, Caio; de Araújo Neto, João Honorato; he, sheng; Gonçalves Guimarães Júnior, Walber; Esmieu, Charlene; Castellano, Eduardo; de Moura, André Farias; Truzzi, Daniela Ramos; Nascimento, Otaciro; Simonneau, Antoine; Netto, Caterina Gruenwaldt Cunha Marques","Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite","Dalton Transactions","2023","","","","","10.1039/D3DT01091K","","x-ray","0.71073","MoKα","","0.0435","0.0369","","","0.0934","0.0995","","","","","","1.044","","","","has coordinates,has disorder","285337","2023-07-25","22:51:18",""
"7713560","9.0835","0.0005","9.0835","0.0005","42.651","0.004","90","","90","","90","","3519.1","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C31 H37 Cl2 Cu N5 O12 -","- C31 H37 Cl2 Cu N5 O12 -","- C124 H148 Cl8 Cu4 N20 O48 -","4","1","","P. Ferreira, Millena; Bezerra Castro, Caio; de Araújo Neto, João Honorato; he, sheng; Gonçalves Guimarães Júnior, Walber; Esmieu, Charlene; Castellano, Eduardo; de Moura, André Farias; Truzzi, Daniela Ramos; Nascimento, Otaciro; Simonneau, Antoine; Netto, Caterina Gruenwaldt Cunha Marques","Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite","Dalton Transactions","2023","","","","","10.1039/D3DT01091K","","x-ray","0.71073","MoKα","","0.0484","0.0384","","","0.0838","0.0887","","","","","","1.045","","","","has coordinates","285337","2023-07-25","22:51:18",""
"7713561","27.7408","0.0008","16.6115","0.0004","24.3585","0.0007","90","","90","","90","","11224.8","0.5","180","0.1","180","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C55 H74 Cl2 N4 O5 Ti2 -","- C55 H74 Cl2 N4 O5 Ti2 -","- C440 H592 Cl16 N32 O40 Ti16 -","8","1","","Xu, Hanhua; Lv, Ze-Jie; Wei, Junnian; Xi, Zhenfeng","N-Aryloxide-Amidinate Group 4 Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01767B","","x-ray","0.71073","MoKα","","0.0657","0.052","","","0.1479","0.156","","","","","","1.03","","","","has coordinates,has disorder","285338","2023-07-25","22:52:53",""
"7713562","25.2159","0.0006","14.3624","0.0004","17.5594","0.0004","90","","91.26","0.002","90","","6357.8","0.3","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H94 Li6 N8 O4 -","- C60 H94 Li6 N8 O4 -","- C240 H376 Li24 N32 O16 -","4","0.5","","Xu, Hanhua; Lv, Ze-Jie; Wei, Junnian; Xi, Zhenfeng","N-Aryloxide-Amidinate Group 4 Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01767B","","x-ray","0.71073","MoKα","","0.0567","0.0485","","","0.1366","0.1413","","","","","","1.08","","","","has coordinates","285338","2023-07-25","22:52:54",""
"7713563","12.3616","0.0003","13.132","0.0003","16.7306","0.0004","101.875","0.002","109.119","0.002","104.7","0.002","2354.85","0.11","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Cl2 N4 O4 Zr2 -","- C48 H62 Cl2 N4 O4 Zr2 -","- C96 H124 Cl4 N8 O8 Zr4 -","2","1","","Xu, Hanhua; Lv, Ze-Jie; Wei, Junnian; Xi, Zhenfeng","N-Aryloxide-Amidinate Group 4 Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01767B","","x-ray","0.71073","MoKα","","0.0273","0.024","","","0.0639","0.065","","","","","","1.066","","","","has coordinates","285338","2023-07-25","22:52:54",""
"7713564","12.2507","0.0002","13.1833","0.0002","16.8154","0.0002","100.171","0.001","109.606","0.001","103.648","0.001","2387.07","0.07","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Cl2 Hf2 N4 O4 -","- C48 H62 Cl2 Hf2 N4 O4 -","- C96 H124 Cl4 Hf4 N8 O8 -","2","1","","Xu, Hanhua; Lv, Ze-Jie; Wei, Junnian; Xi, Zhenfeng","N-Aryloxide-Amidinate Group 4 Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01767B","","x-ray","0.71073","MoKα","","0.0325","0.0296","","","0.0711","0.0723","","","","","","1.025","","","","has coordinates","285338","2023-07-25","22:52:54",""
"7713565","12.5852","0.0002","12.8869","0.0002","17.0743","0.0002","89.129","0.001","71.984","0.001","72.209","0.001","2497.84","0.07","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H63 Cl4 Hf2 Li N8 O6 -","- C40 H63 Cl4 Hf2 Li N8 O6 -","- C80 H126 Cl8 Hf4 Li2 N16 O12 -","2","1","","Xu, Hanhua; Lv, Ze-Jie; Wei, Junnian; Xi, Zhenfeng","N-Aryloxide-Amidinate Group 4 Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01767B","","x-ray","0.71073","MoKα","","0.0281","0.0231","","","0.0538","0.0568","","","","","","1.0515","","","","has coordinates,has disorder","285338","2023-07-25","22:52:54",""
"7713566","9.9316","0.0005","12.8","0.0006","14.2699","0.0007","96.338","0.002","106.813","0.002","112.103","0.002","1558.97","0.14","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cl4 Cu F4 N2 -","- C30 H30 Cl4 Cu F4 N2 -","- C60 H60 Cl8 Cu2 F8 N4 -","2","1","","Duan, Wen-Long; Ma, Cong; Luan, Jian; Ding, Fang; Yan, Feng; Zhang, Lei; Li, Wenze","Fabrication of metal-organic salts with heterogeneous conformations of ligand as dual-functional of urease and nitrification inhibitors","Dalton Transactions","2023","","","","","10.1039/D3DT01375H","","","0.71076","MoKα","","0.0552","0.0408","","","0.1064","0.1173","","","","","","1.022","","","","has coordinates","285339","2023-07-25","22:54:10",""
"7713567","10.0083","0.0005","12.4895","0.0006","14.2962","0.0007","93.778","0.002","108.137","0.002","110.772","0.002","1556.27","0.14","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cl4 Co F4 N2 -","- C30 H30 Cl4 Co F4 N2 -","- C60 H60 Cl8 Co2 F8 N4 -","2","1","","Duan, Wen-Long; Ma, Cong; Luan, Jian; Ding, Fang; Yan, Feng; Zhang, Lei; Li, Wenze","Fabrication of metal-organic salts with heterogeneous conformations of ligand as dual-functional of urease and nitrification inhibitors","Dalton Transactions","2023","","","","","10.1039/D3DT01375H","","","0.71076","MoKα","","0.088","0.0582","","","0.157","0.1807","","","","","","1.055","","","","has coordinates","285339","2023-07-25","22:54:10",""
"7713568","10.008","0.0005","12.4928","0.0006","14.2889","0.0007","93.92","0.002","107.938","0.002","110.797","0.002","1556.88","0.14","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cl4 F4 N2 Zn -","- C30 H30 Cl4 F4 N2 Zn -","- C60 H60 Cl8 F8 N4 Zn2 -","2","1","","Duan, Wen-Long; Ma, Cong; Luan, Jian; Ding, Fang; Yan, Feng; Zhang, Lei; Li, Wenze","Fabrication of metal-organic salts with heterogeneous conformations of ligand as dual-functional of urease and nitrification inhibitors","Dalton Transactions","2023","","","","","10.1039/D3DT01375H","","","0.71073","MoKα","","0.0663","0.0521","","","0.1349","0.147","","","","","","1.107","","","","has coordinates","285339","2023-07-25","22:54:10",""
"7713569","9.9952","0.0006","12.5695","0.0008","14.5331","0.0009","93.582","0.002","108.067","0.002","111.162","0.002","1587.14","0.17","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cd Cl4 F4 N2 -","- C30 H30 Cd Cl4 F4 N2 -","- C60 H60 Cd2 Cl8 F8 N4 -","2","1","","Duan, Wen-Long; Ma, Cong; Luan, Jian; Ding, Fang; Yan, Feng; Zhang, Lei; Li, Wenze","Fabrication of metal-organic salts with heterogeneous conformations of ligand as dual-functional of urease and nitrification inhibitors","Dalton Transactions","2023","","","","","10.1039/D3DT01375H","","","0.71076","MoKα","","0.072","0.0624","","","0.1521","0.161","","","","","","1.051","","","","has coordinates","285339","2023-07-25","22:54:10",""
"7713570","7.917","0.003","7.942","0.004","37.185","0.013","90","","90","","90","","2338.1","1.7","293.15","","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H22 Br4 Cd Cl2 N2 -","- C16 H22 Br4 Cd Cl2 N2 -","- C64 H88 Br16 Cd4 Cl8 N8 -","4","0.5","","Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Wen, Jia Hui; Shi, Huijuan; Fan, Xiao-Wei; Li, QiaoLING; Wang, Meng Na","Halogen Regulating Induced Reversible High-T-Dielectric-Thermal Transitions in Novel Layered Organic-Inorganic Hybrid Semiconducting Crystals","Dalton Transactions","2023","","","","","10.1039/D3DT01499A","","","0.71076","MoKα","","0.0946","0.079","","","0.1972","0.205","","","","","","1.257","","","","has coordinates","285340","2023-07-25","22:54:55",""
"7713571","18.8581","0.0014","7.603","0.0006","7.6418","0.0006","90","","99.102","0.002","90","","1081.87","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cd Cl6 N2 -","- C16 H22 Cd Cl6 N2 -","- C32 H44 Cd2 Cl12 N4 -","2","0.5","","Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Wen, Jia Hui; Shi, Huijuan; Fan, Xiao-Wei; Li, QiaoLING; Wang, Meng Na","Halogen Regulating Induced Reversible High-T-Dielectric-Thermal Transitions in Novel Layered Organic-Inorganic Hybrid Semiconducting Crystals","Dalton Transactions","2023","","","","","10.1039/D3DT01499A","","","0.71073","MoKα","","0.0447","0.0403","","","0.1078","0.1125","","","","","","1.153","","","","has coordinates","285340","2023-07-25","22:54:55",""
"7713572","12.8275","0.0005","12.8275","0.0005","14.194","0.0007","90","","90","","90","","2335.55","0.17","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C14 H32 Br4 Mn N2 -","- C14 H32 Br4 Mn N2 -","- C56 H128 Br16 Mn4 N8 -","4","0.5","","Wu, Ling-Kun; Zou, Qing-Hua; Yao, Hai-Quan; Ye, Heng-Yun; Li, Jian-Rong","Zero-Dimensional Organic-Inorganic Hybrid Manganese Bromide with Coexistence of Dielectric−Thermal Double Switches and Efficient Photoluminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01823G","","","0.71073","MoKα","","0.0416","0.0296","","","0.0611","0.0641","","","","","","1.062","","","","has coordinates,has disorder","285341","2023-07-25","22:55:21",""
"7713573","11.69119","0.00014","19.42369","0.00017","18.9969","0.0002","90","","107.429","0.0013","90","","4115.87","0.08","99.98","0.17","99.98","0.17","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Cl4 N3 O2 Pd S -","- C39.0076 H47.009 Cl4.0004 N3.0006 O2.0004 Pd1.0002 S1.0002 -","- C156.03 H188.036 Cl16.0016 N12.0024 O8.0016 Pd4.0008 S4.0008 -","4","1","","Pasyukov, Dmitry; Shevchenko, Maxim; Astakhov, Alexander Vladimirovich; Minyaev, Mikhail Evgenevich; Zhang, Yu; Chernyshev, Victor; Ananikov, Valentine P.","New class of RSO2-NHC ligands and Pd/RSO2-NHC complexes with tailored electronic properties and high performance in catalytic C-C and C-N bonds formation","Dalton Transactions","2023","","","","","10.1039/D3DT02296J","","x-ray","0.71073","MoKα","","0.0323","0.0286","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates,has disorder","285359","2023-07-26","23:00:28",""
"7713574","10.392","0.0002","34.9915","0.0007","20.6937","0.0005","90","","95.87","0.001","90","","7485.4","0.3","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H59 B F24 Ir N4 S2 -","- C76 H52 B F24 Ir N4 S2 -","- C304 H208 B4 F96 Ir4 N16 S8 -","4","2","","Tao, Peng; Zheng, Xiao-Kang; Jiang, He; Sheng, Xinghao; Deng, Yongjing; Chan, Yuk Yin Ian; Zhao, Qiang; Wong, Wai-Yeung Raymond","Efficient 1-(thiophen-2-yl)isoquinoline-based ionic iridophosphors with bulky counterion for solution-processed deep-red electroluminescence","Dalton Transactions","2023","","","","","10.1039/D3DT02061D","","","1.54178","CuKα","","0.0402","0.0357","","","0.0801","0.0822","","","","","","0.989","","","","has coordinates,has disorder","285369","2023-07-27","22:55:05",""
"7713575","9.8012","0.0007","21.698","0.0015","14.4627","0.0011","90","","108.316","0.003","90","","2919.9","0.4","102","","102","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Er N3 O3 -","- C24 H48 Er N3 O3 -","- C96 H192 Er4 N12 O12 -","4","1","","Jayakodiarachci, Navoda; Liu, Rui; Dharmadasa, Chamod; Hu, Xiaobing; Savage, Don; Ward, Cassandra L.; Evans, Paul G.; Winter, Charles","Thermal atomic layer deposition of Er2O3 films from a volatile, thermally stable enaminolate precursor","Dalton Transactions","2023","","","","","10.1039/D3DT01824E","","","0.71073","MoKα","","0.019","0.0164","","","0.0358","0.0366","","","","","","1.033","","","","has coordinates","285370","2023-07-27","22:55:31",""
"7713576","11.9388","0.0008","9.9973","0.0007","14.8252","0.001","90","","107.146","0.001","90","","1690.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Br2 N6 O4 Rh2 -","- C32 H42 Br2 N6 O4 Rh2 -","- C64 H84 Br4 N12 O8 Rh4 -","2","0.5","","Jiménez, M. Victoria; González-Lainez, Miguel; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","β-(Z)-Selective Alkyne Hydrosilylation by a N,O-Functionalized NHC-based Rhodium(I) Catalyst","Dalton Transactions","2023","","","","","10.1039/D3DT01911J","","","0.71073","MoKα","","0.0431","0.0321","","","0.0754","0.0801","","","","","","1.048","","","","has coordinates","285376","2023-07-28","22:53:14",""
"7713577","9.728","0.0013","11.3893","0.0015","12.1763","0.0016","104.166","0.002","104.253","0.002","100.643","0.002","1224","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H33 F6 N3 O P Rh -","- C23 H33 F6 N3 O P Rh -","- C46 H66 F12 N6 O2 P2 Rh2 -","2","1","","Jiménez, M. Victoria; González-Lainez, Miguel; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","β-(Z)-Selective Alkyne Hydrosilylation by a N,O-Functionalized NHC-based Rhodium(I) Catalyst","Dalton Transactions","2023","","","","","10.1039/D3DT01911J","","","0.71073","MoKα","","0.0332","0.0284","","","0.0655","0.0682","","","","","","1.034","","","","has coordinates","285376","2023-07-28","22:53:25",""
"7713578","8.5969","0.0009","11.0481","0.0011","24.128","0.002","90","","98.62","0.002","90","","2265.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br N3 O Rh -","- C23 H33 Br N3 O Rh -","- C92 H132 Br4 N12 O4 Rh4 -","4","1","","Jiménez, M. Victoria; González-Lainez, Miguel; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","β-(Z)-Selective Alkyne Hydrosilylation by a N,O-Functionalized NHC-based Rhodium(I) Catalyst","Dalton Transactions","2023","","","","","10.1039/D3DT01911J","","","0.71073","MoKα","","0.0396","0.0287","","","0.0648","0.0691","","","","","","1.045","","","","has coordinates","285376","2023-07-28","22:53:25",""
"7713579","15.495","0.0018","15.9446","0.0019","16.3447","0.0018","90","","111.904","0.003","90","","3746.6","0.8","150.01","","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Cl2 Fe N2 O P2 -","- C41 H40 Cl2 Fe N2 O P2 -","- C164 H160 Cl8 Fe4 N8 O4 P8 -","4","1","","Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey","FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00950E","","","0.71073","MoKα","","0.0993","0.0547","","","0.1268","0.1517","","","","","","1.03","","","","has coordinates","285377","2023-07-28","22:54:52",""
"7713580","13.298","0.005","17.214","0.005","25.028","0.01","90","","104.507","0.013","90","","5547","3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Cl4 Fe N5 P2 -","- C53 H61 Cl4 Fe N5 P2 -","- C212 H244 Cl16 Fe4 N20 P8 -","4","1","","Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey","FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00950E","","","0.71073","MoKα","","0.067","0.0511","","","0.1352","0.1468","","","","","","1.073","","","","has coordinates,has disorder","285377","2023-07-28","22:54:53",""
"7713581","11.8695","0.001","23.485","0.002","14.6125","0.0012","90","","93.038","0.003","90","","4067.6","0.6","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 F6 Fe N2 O6 P2 S2 -","- C39 H32 F6 Fe N2 O6 P2 S2 -","- C156 H128 F24 Fe4 N8 O24 P8 S8 -","4","1","","Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey","FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00950E","","","0.71073","MoKα","","0.0444","0.0323","","","0.0788","0.085","","","","","","1.027","","","","has coordinates,has disorder","285377","2023-07-28","22:54:53",""
"7713582","10.2743","0.0012","25.414","0.003","18.9605","0.0017","90","","93.233","0.004","90","","4942.9","0.9","150","","150","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C47 H44 F6 Fe N6 O6 P2 S2 -","- C47 H44 F6 Fe N6 O6 P2 S2 -","- C188 H176 F24 Fe4 N24 O24 P8 S8 -","4","1","","Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey","FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00950E","","","0.71073","MoKα","","0.0781","0.0515","","","0.1131","0.127","","","","","","1.046","","","","has coordinates","285377","2023-07-28","22:54:53",""
"7713583","12.948","0.001","10.174","0.001","26.991","0.001","90","","98.232","0.001","90","","3519","0.5","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl Fe N3 P2 -","- C42 H36 Cl Fe N3 P2 -","- C168 H144 Cl4 Fe4 N12 P8 -","4","1","","Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey","FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00950E","","","0.71069","MoKα","","0.0846","0.0595","","","0.1123","0.1235","","","","","","1.117","","","","has coordinates","285377","2023-07-28","22:54:53",""
"7713584","12.47399","0.00008","10.42115","0.00006","30.03284","0.00018","90","","99.8863","0.0006","90","","3846.09","0.04","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl F3 O3 P2 Ru S -","- C44 H38 Cl F3 O3 P2 Ru S -","- C176 H152 Cl4 F12 O12 P8 Ru4 S4 -","4","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.0245","0.0226","","","0.0574","0.0583","","","","","","1.028","","","","has coordinates,has disorder","285378","2023-07-28","22:56:44",""
"7713585","10.8812","0.0005","11.0631","0.0005","16.8995","0.0008","74.198","0.004","78.406","0.004","82.343","0.004","1910.87","0.16","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H43 Cl3 O2 P2 Ru -","- C43.5 H43 Cl3 O2 P2 Ru -","- C87 H86 Cl6 O4 P4 Ru2 -","2","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.0825","0.0725","","","0.2007","0.2149","","","","","","1.054","","","","has coordinates,has disorder","285378","2023-07-28","22:56:45",""
"7713586","15.10287","0.00019","16.6186","0.0002","17.2511","0.0003","90","","90","","90","","4329.83","0.11","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cl3 F6 P3 Ru -","- C44 H40 Cl3 F6 P3 Ru -","- C176 H160 Cl12 F24 P12 Ru4 -","4","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.0998","0.1025","","","","","","1.049","","","","has coordinates,has disorder","285378","2023-07-28","22:56:45",""
"7713587","9.30092","0.00008","10.67827","0.00008","32.0935","0.0002","90","","90","","90","","3187.45","0.04","140","0.1","140","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl F6 N3 P3 Ru -","- C31 H35 Cl F6 N3 P3 Ru -","- C124 H140 Cl4 F24 N12 P12 Ru4 -","4","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.0226","0.0215","","","0.0513","0.0517","","","","","","1.038","","","","has coordinates,has disorder","285378","2023-07-28","22:56:45",""
"7713588","12.3243","0.0004","10.3143","0.0003","30.465","0.0009","90","","99.752","0.003","90","","3816.6","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Cl F6 P2 Ru Sb -","- C43 H38 Cl F6 P2 Ru Sb -","- C172 H152 Cl4 F24 P8 Ru4 Sb4 -","4","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","0.71073","MoKα","","0.0835","0.0503","","","0.0821","0.0947","","","","","","0.989","","","","has coordinates,has disorder","285378","2023-07-28","22:56:45",""
"7713589","10.47706","0.00006","16.55786","0.0001","15.24231","0.00009","90","","98.9266","0.0005","90","","2612.17","0.03","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H58 B Cl P2 Ru -","- C67 H58 B Cl P2 Ru -","- C134 H116 B2 Cl2 P4 Ru2 -","2","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.019","0.0181","","","0.0426","0.0428","","","","","","1.044","","","","has coordinates","285378","2023-07-28","22:56:45",""
"7713590","9.8114","0.0004","14.3212","0.0007","23.6696","0.0011","90","","99.8","0.004","90","","3277.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Cd N4 O8 -","- C40 H24 Cd N4 O8 -","- C160 H96 Cd4 N16 O32 -","4","1","","Kang, Ming; Gao, Bohong; Zhang, Shimin; Hao, Pengfei; Li, Gao-Peng; Shen, Junju; Fu, Yunlong","The effect of conjugation degree of aromatic carboxylic acids on electronic and photo-responsive behaviors of naphthalenediimide-based coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01662E","","","0.71073","MoKα","","0.1121","0.0553","","","0.0837","0.1016","","","","","","1.01","","","","has coordinates","285391","2023-07-29","22:51:30",""
"7713591","37.305","0.002","12.4534","0.0008","27.1003","0.0017","90","","103.182","0.002","90","","12258.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H53 Cd2 N9 O18 -","- C68 H53 Cd2 N9 O18 -","- C544 H424 Cd16 N72 O144 -","8","1","","Kang, Ming; Gao, Bohong; Zhang, Shimin; Hao, Pengfei; Li, Gao-Peng; Shen, Junju; Fu, Yunlong","The effect of conjugation degree of aromatic carboxylic acids on electronic and photo-responsive behaviors of naphthalenediimide-based coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01662E","","","0.71073","MoKα","","0.0588","0.0358","","","0.0819","0.0918","","","","","","1.022","","","","has coordinates","285391","2023-07-29","22:51:30",""
"7713592","15.2689","0.0009","8.71","0.0005","26.64","0.0015","90","","93.109","0.002","90","","3537.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 Cd N4 O8 -","- C42 H26 Cd N4 O8 -","- C168 H104 Cd4 N16 O32 -","4","0.5","","Kang, Ming; Gao, Bohong; Zhang, Shimin; Hao, Pengfei; Li, Gao-Peng; Shen, Junju; Fu, Yunlong","The effect of conjugation degree of aromatic carboxylic acids on electronic and photo-responsive behaviors of naphthalenediimide-based coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01662E","","","0.71073","MoKα","","0.038","0.0308","","","0.0787","0.0816","","","","","","1.107","","","","has coordinates,has disorder","285391","2023-07-29","22:51:31",""
"7713593","27.5","0.06","12.35","0.03","17.13","0.04","90","","120.84","0.03","90","","4995","2","298.15","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 Lu N3 O2 Si -","- C51 H58 Lu N3 O2 Si -","- C204 H232 Lu4 N12 O8 Si4 -","4","0.5","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","x-ray","0.71073","MoKα","","0.0793","0.0685","","","0.2029","0.2095","","","","","","1.163","","","","has coordinates,has disorder","285400","2023-07-31","23:00:22",""
"7713594","14.43","0.07","16.35","0.07","17.84","0.08","98.03","0.05","94.36","0.05","116.15","0.05","3696","3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H59 N6 O Y -","- C69 H59 N6 O Y -","- C138 H118 N12 O2 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.186","0.069","","","0.1323","0.1669","","","","","","0.883","","","","has coordinates","285400","2023-07-31","23:00:24",""
"7713595","11.9372","0.0007","15.1671","0.0008","16.1955","0.0009","92.225","0.001","91.358","0.001","94.634","0.001","2919.4","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H59 N6 Y -","- C72 H59 N6 Y -","- C144 H118 N12 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","x-ray","0.71073","MoKα","","0.1045","0.0547","","","0.1185","0.1357","","","","","","1.011","","","","has coordinates,has disorder","285400","2023-07-31","23:00:24",""
"7713596","14.08","0.05","16.13","0.06","17.56","0.06","77.87","0.04","86.86","0.09","64.85","0.04","3527","2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H58 Lu N6 O -","- C69 H59 Lu N6 O -","- C138 H118 Lu2 N12 O2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1591","0.0733","","","0.1487","0.1773","","","","","","0.913","","","","has coordinates,has disorder","285400","2023-07-31","23:00:24",""
"7713597","13.6742","0.001","25.8835","0.0018","20.5125","0.0014","90","","106.966","0.001","90","","6944.1","0.8","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H51 Lu N6 -","- C65 H51 Lu N6 -","- C260 H204 Lu4 N24 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.0866","0.0489","","","0.1148","0.1283","","","","","","0.952","","","","has coordinates","285400","2023-07-31","23:00:24",""
"7713598","12.84","0.02","19.5","0.03","24.86","0.04","90","","98.696","0.019","90","","6153","17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H53 N6 O Y -","- C66 H53 N6 O Y -","- C264 H212 N24 O4 Y4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1285","0.0564","","","0.1127","0.134","","","","","","0.958","","","","has coordinates","285400","2023-07-31","23:00:24",""
"7713599","12.858","0.0006","19.4811","0.0009","24.8098","0.0011","90","","98.772","0.001","90","","6141.9","0.5","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H53 Lu N6 O -","- C66 H53 Lu N6 O -","- C264 H212 Lu4 N24 O4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.059","0.036","","","0.0762","0.0825","","","","","","1.007","","","","has coordinates","285400","2023-07-31","23:00:24",""
"7713600","17.2922","0.001","20.3976","0.0011","17.3327","0.001","90","","91.746","0.001","90","","6110.7","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 F N6 Y -","- C65 H50 F N6 Y -","- C260 H200 F4 N24 Y4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.155","0.0603","","","0.1205","0.1494","","","","","","0.916","","","","has coordinates","285400","2023-07-31","23:00:24",""
"7713601","14.0687","0.001","43.818","0.003","20.2354","0.0014","90","","108.348","0.001","90","","11840.2","1.4","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C264 H212 Lu4 N24 O4 -","- C264 H212 Lu4 N24 O4 -","- C528 H424 Lu8 N48 O8 -","2","0.5","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1416","0.0722","","","0.1414","0.1629","","","","","","1.02","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713602","11.509","0.001","14.3067","0.0013","21.0746","0.0019","75.575","0.001","85.973","0.001","69.099","0.001","3138.9","0.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H53 N6 O Y -","- C66 H53 N6 O Y -","- C132 H106 N12 O2 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1385","0.0572","","","0.1081","0.1298","","","","","","0.926","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713603","13.8291","0.0007","14.0855","0.0007","14.6541","0.0007","90.739","0.001","107.476","0.001","117.434","0.001","2377.6","0.2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H53 Lu N4 O -","- C59.5 H53 Lu N4 O -","- C119 H106 Lu2 N8 O2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.0493","0.035","","","0.0768","0.0811","","","","","","1.022","","","","has coordinates,has disorder","285400","2023-07-31","23:00:25",""
"7713604","11.494","0.009","15.028","0.011","15.994","0.013","90.881","0.01","95.81","0.02","93.429","0.013","2743","4","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H57 N6 Y -","- C70 H57 N6 Y -","- C140 H114 N12 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1553","0.0661","","","0.1147","0.1392","","","","","","0.97","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713605","11.948","0.014","14.873","0.016","16.154","0.017","92.578","0.016","90.58","0.02","93.366","0.012","2863","5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H57 N6 S Y -","- C70 H57 N6 S Y -","- C140 H114 N12 S2 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.149","0.0588","","","0.1012","0.1249","","","","","","0.951","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713606","12.644","0.0009","19.4671","0.0014","24.5847","0.0018","90","","99.382","0.001","90","","5970.4","0.7","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H53 N6 Y -","- C66 H53 N6 Y -","- C264 H212 N24 Y4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1358","0.0565","","","0.1067","0.1275","","","","","","0.967","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713607","14.37","0.02","10.679","0.018","36.16","0.06","90","","100.46","0.03","90","","5457","15","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H55 N4 Si Y -","- C57 H55 N4 Si Y -","- C228 H220 N16 Si4 Y4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1574","0.0691","","","0.1497","0.1791","","","","","","1.023","","","","has coordinates,has disorder","285400","2023-07-31","23:00:25",""
"7713608","13.339","0.019","14.75","0.02","18.38","0.03","81.977","0.015","76.954","0.014","65.66","0.014","3205","8","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H55 N6 Y -","- C71 H55 N6 Y -","- C142 H110 N12 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1597","0.0621","","","0.1098","0.1358","","","","","","0.909","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713609","9.9","0.03","10.39","0.03","10.65","0.03","76.1","0.03","74.76","0.03","89.66","0.03","1024","5","293.15","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N3 -","- C26 H21 N3 -","- C52 H42 N6 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1045","0.0541","","","0.1223","0.1446","","","","","","0.969","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713610","10.74","0.03","13.66","0.03","17.96","0.05","85.25","0.04","76.64","0.03","74.83","0.07","2474","11","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 N4 O Y -","- C54 H47 N4 O Y -","- C108 H94 N8 O2 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1264","0.063","","","0.143","0.1643","","","","","","0.98","","","","has coordinates,has disorder","285400","2023-07-31","23:00:25",""
"7713611","15.1303","0.0012","15.1348","0.0011","15.381","0.0012","91.813","0.001","100.98","0.001","110.037","0.001","3230.4","0.4","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H57 N6 Y -","- C65 H57 N6 Y -","- C130 H114 N12 Y2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1412","0.0699","","","0.1363","0.1594","","","","","","0.939","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713612","10.8724","0.0006","13.1419","0.0007","18.0651","0.001","97.798","0.001","96.349","0.001","111.559","0.001","2342.1","0.2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 Lu N5 Si -","- C56 H52 Lu N5 Si -","- C112 H104 Lu2 N10 Si2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.0729","0.0455","","","0.084","0.0915","","","","","","1.031","","","","has coordinates","285400","2023-07-31","23:00:25",""
"7713613","22.752","0.006","9.525","0.002","10.485","0.003","90","","101.731","0.004","90","","2224.8","1","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1011","0.0582","","","0.1527","0.1754","","","","","","1.06","","","","has coordinates,has disorder","285400","2023-07-31","23:00:25",""
"7713614","14.63","0.02","5.784","0.008","25.69","0.04","90","","104.741","0.017","90","","2102","5","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","x-ray","0.71073","MoKα","","0.2289","0.1432","","","0.3662","0.4213","","","","","","1.135","","","","has coordinates","285400","2023-07-31","23:00:26",""
"7713615","11.2744","0.001","10.696","0.001","17.0182","0.0016","90","","97.368","0.001","90","","2035.3","0.3","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1144","0.0487","","","0.1174","0.1404","","","","","","1.021","","","","has coordinates","285400","2023-07-31","23:00:26",""
"7713616","5.89","0.02","15.53","0.06","10.89","0.04","90","","95.96","0.03","90","","991","6","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N3 S -","- C24 H19 N3 S -","- C48 H38 N6 S2 -","2","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1115","0.0644","","","0.1285","0.1411","","","","","","1.028","","","","has coordinates","285400","2023-07-31","23:00:26",""
"7713617","9.0659","0.0007","11.491","0.0008","17.7791","0.0013","90","","96.574","0.001","90","","1840","0.2","293.15","","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 -","- C24 H19 N3 -","- C96 H76 N12 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.0764","0.0495","","","0.1378","0.1563","","","","","","0.998","","","","has coordinates","285400","2023-07-31","23:00:26",""
"7713618","10.3399","0.0009","24.627","0.002","20.7916","0.0019","90","","98.47","0.001","90","","5236.6","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H51 N4 O2 Y -","- C57 H51 N4 O2 Y -","- C228 H204 N16 O8 Y4 -","4","1","","Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu","Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01714A","","","0.71073","MoKα","","0.1399","0.06","","","0.1213","0.1457","","","","","","0.968","","","","has coordinates","285400","2023-07-31","23:00:26",""
"7713619","10.7018","0.0005","16.7383","0.0009","20.6013","0.0011","90.327","0.002","92.499","0.002","91.085","0.002","3686.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.38 H29.75 Cl0.75 Cr N O13 -","- C38.375 H29.75 Cl0.75 Cr N O13 -","- C153.5 H119 Cl3 Cr4 N4 O52 -","4","2","","Connelly, Patrick T.; Applegate, Jason C.; Maldonado, David A.; Okeowo, Monisola K.; Henke, Wade C.; Oliver, Allen Grayson; Berrie, Cindy L.; Barybin, Mikhail V.","Homoleptic complexes of isocyano- and diisocyanobiazulenes with a 12-electron, ligand-based redox capacity","Dalton Transactions","2023","","","","","10.1039/D3DT01958F","","","0.71073","MoKα","","0.0728","0.0503","","","0.1292","0.1414","","","","","","1.028","","","","has coordinates","287931","2023-12-01","12:37:00",""
"7713620","13.0873","0.0004","13.0873","0.0004","36.3217","0.0013","90","","90","","90","","6221.1","0.3","150","2","150","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C69 H54 Cl4 Cr In Mn N8 O5 -","- C69 H54 Cl4 Cr In Mn N8 O5 -","- C276 H216 Cl16 Cr4 In4 Mn4 N32 O20 -","4","0.5","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Yakushev, Ilya A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Bimetallic neutral and anionic complexes of transition metal (Co, Mn) carbonyls with indium (III) phthalocyanine","Dalton Transactions","2023","","","","","10.1039/D3DT01498C","","","0.71073","MoKα","","0.0383","0.0334","","","0.0845","0.0864","","","","","","1.072","","","","has coordinates","285413","2023-08-01","23:00:14",""
"7713621","10.382","0.005","10.695","0.005","14.477","0.005","109.71","0.005","90.014","0.005","94.33","0.005","1508.4","1.1","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H16 Co In N8 O4 -","- C36 H16 Co In N8 O4 -","- C72 H32 Co2 In2 N16 O8 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Yakushev, Ilya A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Bimetallic neutral and anionic complexes of transition metal (Co, Mn) carbonyls with indium (III) phthalocyanine","Dalton Transactions","2023","","","","","10.1039/D3DT01498C","","x-ray","0.71073","MoKα","","0.0509","0.0472","","","0.1149","0.1169","","","","","","1.046","","","","has coordinates","285413","2023-08-01","23:00:15",""
"7713622","9.8278","0.0003","13.7955","0.0005","17.5611","0.0005","90","","99.0973","0.001","90","","2350.97","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 N4 Ni2 O10 -","- C50 H56 N4 Ni2 O10 -","- C100 H112 N8 Ni4 O20 -","2","0.5","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.037","0.0344","","","0.0892","0.0916","","","","","","1.04","","","","has coordinates","285414","2023-08-01","23:01:55",""
"7713623","15.0666","0.0012","12.2635","0.001","24.4101","0.0019","90","","102.897","0.0015","90","","4396.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 N4 Ni O6 -","- C50 H58 N4 Ni O6 -","- C200 H232 N16 Ni4 O24 -","4","1","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.0798","0.043","","","0.0877","0.0989","","","","","","1.013","","","","has coordinates","285414","2023-08-01","23:01:55",""
"7713624","8.741","0.0004","20.937","0.0013","23.4276","0.0014","104.362","0.002","92.6794","0.0018","96.6847","0.0018","4112.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Cl3 N4 Ni O4 -","- C45 H47 Cl3 N4 Ni O4 -","- C180 H188 Cl12 N16 Ni4 O16 -","4","2","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.0618","0.0424","","","0.0951","0.106","","","","","","1.032","","","","has coordinates,has disorder","285414","2023-08-01","23:01:56",""
"7713625","12.0727","0.0009","13.9087","0.0011","16.7272","0.0013","87.845","0.002","75.532","0.002","71.466","0.002","2576","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H39 D24 N4 Na Ni2 O10 -","- C54 H39 D24 N4 Na Ni2 O10 -","- C108 H78 D48 N8 Na2 Ni4 O20 -","2","1","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.0716","0.0418","","","0.0948","0.1058","","","","","","1.016","","","","has coordinates","285414","2023-08-01","23:01:56",""
"7713626","10.6437","0.0009","20.3808","0.0018","8.1403","0.0007","90","","98.9153","0.0015","90","","1744.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 Ni O2 -","- C22 H18 N2 Ni O2 -","- C88 H72 N8 Ni4 O8 -","4","1","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.0707","0.0359","","","0.0688","0.0776","","","","","","1","","","","has coordinates","285414","2023-08-01","23:01:56",""
"7713627","8.433","0.0003","11.6833","0.0004","19.8454","0.0008","90","","90","","90","","1955.27","0.12","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.0307","0.0272","","","0.0632","0.0659","","","","","","1.061","","","","has coordinates","285414","2023-08-01","23:01:56",""
"7713628","18.9734","0.0005","9.5831","0.0002","14.5616","0.0004","90","","104.341","0.003","90","","2565.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 O P -","- C34 H29 O P -","- C136 H116 O4 P4 -","4","1","","Gao, Zengye; Wang, Yue; Zhou, Yang; Yuan, Bingxin; Duan, Zheng","Synthesis and properties of photoluminescent phosphorus-doped triptycenes","Dalton Transactions","2023","","","","","10.1039/D3DT02308G","","x-ray","1.54184","CuKα","","0.0586","0.0464","","","0.1218","0.1325","","","","","","1.026","","","","has coordinates","285415","2023-08-01","23:03:06",""
"7713629","36.315","0.007","9.299","0.002","12.299","0.002","90","0.03","92.26","0.03","90","0.03","4150.1","1.4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 O P -","- C28 H18 O P -","- C224 H144 O8 P8 -","8","1","","Gao, Zengye; Wang, Yue; Zhou, Yang; Yuan, Bingxin; Duan, Zheng","Synthesis and properties of photoluminescent phosphorus-doped triptycenes","Dalton Transactions","2023","","","","","10.1039/D3DT02308G","","","0.71073","MoKα","","0.0445","0.0415","","","0.1221","0.1256","","","","","","1.063","","","","has coordinates","285415","2023-08-01","23:03:06",""
"7713630","9.3682","0.0003","11.1316","0.0003","25.1118","0.0009","90","","92.214","0.001","90","","2616.78","0.14","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H27 B11 I5 N -","- C9 H27 B11 I5 N -","- C36 H108 B44 I20 N4 -","4","1","","Lin, Chuhao; Jin, Yujie; Sun, Jizeng; Ye, Zehua; Chen, Tao; Liu, Jiyong; Duttwyler, Simon","Regioselective B2–6 penta-iodination of the [CB11H12]– monocarborane cluster by palladium catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT02275G","","","0.71073","MoKα","","0.0311","0.0289","","","0.064","0.0649","","","","","","1.11","","","","has coordinates","285416","2023-08-01","23:03:59",""
"7713631","9.4164","0.0006","16.9039","0.0012","17.2551","0.0012","90","","90.216","0.002","90","","2746.5","0.3","170.15","","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B11 I6 N -","- C9 H26 B11 I6 N -","- C36 H104 B44 I24 N4 -","4","1","","Lin, Chuhao; Jin, Yujie; Sun, Jizeng; Ye, Zehua; Chen, Tao; Liu, Jiyong; Duttwyler, Simon","Regioselective B2–6 penta-iodination of the [CB11H12]– monocarborane cluster by palladium catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT02275G","","","0.71073","MoKα","","0.0636","0.0524","","","0.1172","0.1219","","","","","","1.093","","","","has coordinates,has disorder","285416","2023-08-01","23:04:00",""
"7713632","9.8044","0.0005","11.8241","0.0006","13.6777","0.0007","100.782","0.002","98.898","0.002","94.691","0.002","1528.85","0.14","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H31 B11 I5 N -","- C15 H31 B11 I5 N -","- C30 H62 B22 I10 N2 -","2","1","","Lin, Chuhao; Jin, Yujie; Sun, Jizeng; Ye, Zehua; Chen, Tao; Liu, Jiyong; Duttwyler, Simon","Regioselective B2–6 penta-iodination of the [CB11H12]– monocarborane cluster by palladium catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT02275G","","","0.71073","MoKα","","0.0363","0.0329","","","0.072","0.0742","","","","","","1.026","","","","has coordinates","285416","2023-08-01","23:04:00",""
"7713633","7.1017","0.0002","7.1017","","34.3219","0.0013","90","","90","","120","","1499.09","0.07","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C8 H28 Cl4 N4 O6 Pd2 -","- C8 H28 Cl4 N4 O6 Pd2 -","- C24 H84 Cl12 N12 O18 Pd6 -","3","0.5","","Mian, Mohammad Rasel; Afrin, Unjila; Takaishi, Shinya; Breedlove, Brian. K.; Yamashita, Masahiro; Iguchi, Hiroaki","Hexagonal crystalline Magnus’ green salt analogues prepared from hydroxy-functionalised Pt and Pd complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01700A","","","0.71073","MoKα","","0.0614","0.0549","","","0.1084","0.1129","","","","","","1.318","","","","has coordinates","285417","2023-08-01","23:04:44",""
"7713634","7.0961","0.0005","7.0961","","34.393","0.002","90","","90","","120","","1499.82","0.14","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C8 H28 Cl4 N4 O6 Pt2 -","- C8 H28 Cl4 N4 O6 Pt2 -","- C24 H84 Cl12 N12 O18 Pt6 -","3","0.5","","Mian, Mohammad Rasel; Afrin, Unjila; Takaishi, Shinya; Breedlove, Brian. K.; Yamashita, Masahiro; Iguchi, Hiroaki","Hexagonal crystalline Magnus’ green salt analogues prepared from hydroxy-functionalised Pt and Pd complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01700A","","","0.71073","MoKα","","0.044","0.0418","","","0.0828","0.0834","","","","","","1.336","","","","has coordinates","285417","2023-08-01","23:04:45",""
"7713635","15.9935","0.0008","15.8675","0.0008","10.9844","0.0005","90","","104.756","0.005","90","","2695.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Ag Cl N6 O6 Zn2 -","- C19 H28 Ag Cl N6 O6 Zn2 -","- C76 H112 Ag4 Cl4 N24 O24 Zn8 -","4","1","","Zhivkova, Tania; Culita, Daniela; Abudalleh, Abedulkadir; Dyakova, Lora; Mocanu, Teodora; Madalan, Augustin M.; Georgieva, Milena; Miloshev, George; Hanganu, Anamaria; Marinescu, Gabriela; Alexandrova, Radostina","Homo- and heterometallic complexes of Zn(II), {Zn(II)Au(I)}, and {Zn(II)Ag(I)} with pentadentate Schiff base ligands as promising anticancer agents","Dalton Transactions","2023","","","","","10.1039/D3DT01749D","","x-ray","0.71073","MoKα","","0.0489","0.0392","","","0.1105","0.1163","","","","","","1.083","","","","has coordinates,has disorder","285418","2023-08-01","23:05:28",""
"7713636","53.912","0.009","12.3116","0.0003","31.451","0.005","90","","148.11","0.04","90","","11028","13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Au3 Cl N14 O9 Zn4 -","- C40 H58 Au3 Cl N14 O9 Zn4 -","- C320 H464 Au24 Cl8 N112 O72 Zn32 -","8","1","","Zhivkova, Tania; Culita, Daniela; Abudalleh, Abedulkadir; Dyakova, Lora; Mocanu, Teodora; Madalan, Augustin M.; Georgieva, Milena; Miloshev, George; Hanganu, Anamaria; Marinescu, Gabriela; Alexandrova, Radostina","Homo- and heterometallic complexes of Zn(II), {Zn(II)Au(I)}, and {Zn(II)Ag(I)} with pentadentate Schiff base ligands as promising anticancer agents","Dalton Transactions","2023","","","","","10.1039/D3DT01749D","","x-ray","0.71073","MoKα","","0.0506","0.032","","","0.0642","0.0692","","","","","","1.039","","","","has coordinates,has disorder","285418","2023-08-01","23:05:28",""
"7713637","9.7593","0.001","9.7593","0.001","23.153","0.003","90","","90","","120","","1909.7","0.4","325.01","0.1","325.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9 Bi2 I9 S3 -","- C9 Bi2 I9 S3 -","- C18 Bi4 I18 S6 -","2","0.0833333","","Szklarz, Przemyslaw; Gągor, Anna; Jakubas, Ryszard; Medycki, Wojciech; Bator, Grazyna","Temperature symmetry breaking and properties of lead-free organic-inorganic hybrids: antimony(III) iodide and bismuth(III) iodide: (S(CH3)3)3[Sb2I9] and (S(CH3)3)3[Bi2I9]","Dalton Transactions","2023","","","","","10.1039/D3DT01650A","","x-ray","0.71073","MoKα","","0.2188","0.0878","","","0.282","0.3753","","","","","","0.984","","","","has coordinates","285419","2023-08-01","23:06:25",""
"7713638","19.0052","0.0004","33.1993","0.0008","22.897","0.0006","90","","91.878","0.002","90","","14439.3","0.6","199.8","0.4","199.8","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H21.75 Bi2 I9 S3 -","- C9 H21.75 Bi2 I9.0045 S3 -","- C144 H348 Bi32 I144.072 S48 -","16","2","","Szklarz, Przemyslaw; Gągor, Anna; Jakubas, Ryszard; Medycki, Wojciech; Bator, Grazyna","Temperature symmetry breaking and properties of lead-free organic-inorganic hybrids: antimony(III) iodide and bismuth(III) iodide: (S(CH3)3)3[Sb2I9] and (S(CH3)3)3[Bi2I9]","Dalton Transactions","2023","","","","","10.1039/D3DT01650A","","x-ray","0.71073","MoKα","","0.0692","0.0484","","","0.0938","0.1004","","","","","","1.102","","","","has coordinates,has disorder","285419","2023-08-01","23:06:26",""
"7713639","18.8536","0.0005","18.9933","0.0004","22.6857","0.0006","89.063","0.002","88.081","0.002","60.273","0.002","7050.5","0.3","99.9","1","99.9","1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H27 Bi2 I9 S3 -","- C9 H27 Bi2 I9 S3 -","- C72 H216 Bi16 I72 S24 -","8","4","","Szklarz, Przemyslaw; Gągor, Anna; Jakubas, Ryszard; Medycki, Wojciech; Bator, Grazyna","Temperature symmetry breaking and properties of lead-free organic-inorganic hybrids: antimony(III) iodide and bismuth(III) iodide: (S(CH3)3)3[Sb2I9] and (S(CH3)3)3[Bi2I9]","Dalton Transactions","2023","","","","","10.1039/D3DT01650A","","x-ray","0.71073","MoKα","","0.132","0.1016","","","0.2139","0.229","","","","","","1.173","","","","has coordinates,has disorder","285419","2023-08-01","23:06:26",""
"7713640","10.1952","0.0001","12.5826","0.0001","14.9502","0.0001","90.256","0.001","98.443","0.001","105.17","0.001","1829.1","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H52 F3 O4 S Sb -","- C37 H52 F3 O4 S Sb -","- C74 H104 F6 O8 S2 Sb2 -","2","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0209","0.0198","","","0.0489","0.0494","","","","","","1.031","","","","has coordinates","285430","2023-08-02","22:53:49",""
"7713641","11.1814","0.0002","14.1312","0.0003","16.4708","0.0004","79.673","0.002","74.232","0.002","76.038","0.002","2412.49","0.09","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H57 Cl6 N2 O6 Sb -","- C44 H57 Cl6 N2 O6 Sb -","- C88 H114 Cl12 N4 O12 Sb2 -","2","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0367","0.0346","","","0.0908","0.0925","","","","","","1.048","","","","has coordinates,has disorder","285430","2023-08-02","22:53:50",""
"7713642","10.4423","0.0002","20.8325","0.0005","18.782","0.0004","90","","93.444","0.002","90","","4078.44","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H54 N3 O8 Sb -","- C42 H54 N3 O8 Sb -","- C168 H216 N12 O32 Sb4 -","4","2","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","0.71073","MoKα","","0.0344","0.031","","","0.0693","0.0709","","","","","","1.079","","","","has coordinates,has disorder","285430","2023-08-02","22:53:50",""
"7713643","9.4987","0.0001","25.1021","0.0003","14.9869","0.0002","90","","101.444","0.001","90","","3502.39","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 F3 O4 P S -","- C37 H50 F3 O4 P S -","- C148 H200 F12 O16 P4 S4 -","4","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0524","0.0491","","","0.1282","0.1307","","","","","","1.039","","","","has coordinates,has disorder","285430","2023-08-02","22:53:50",""
"7713644","10.0641","0.0001","17.794","0.0003","23.566","0.0003","90","","98.602","0.001","90","","4172.74","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H53 As Cl3 F3 O4 S -","- C38 H53 As Cl3 F3 O4 S -","- C152 H212 As4 Cl12 F12 O16 S4 -","4","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0573","0.0535","","","0.1154","0.117","","","","","","1.164","","","","has coordinates,has disorder","285430","2023-08-02","22:53:50",""
"7713645","11.8203","0.0001","15.2864","0.0002","24.9112","0.0002","87.867","0.001","80.266","0.001","88.61","0.001","4432.59","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H63 As N3 O8 -","- C46.5 H63 As N3 O8 -","- C186 H252 As4 N12 O32 -","4","2","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0345","0.0311","","","0.0779","0.0799","","","","","","1.048","","","","has coordinates","285430","2023-08-02","22:53:50",""
"7713646","14.3959","0.0002","16.0784","0.0002","16.8119","0.0002","106.234","0.001","99.449","0.001","97.589","0.001","3619.84","0.09","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C37 H52 F3 O4 P S -","- C37 H52 F3 O4 P S -","- C148 H208 F12 O16 P4 S4 -","4","2","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0486","0.0435","","","0.1207","0.1247","","","","","","1.037","","","","has coordinates,has disorder","285430","2023-08-02","22:53:51",""
"7713647","15.7304","0.0003","18.484","0.0003","15.761","0.0003","90","","101.383","0.002","90","","4492.54","0.14","100","0.13","100","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H61 N2 O7 Sb -","- C48 H61 N2 O7 Sb -","- C192 H244 N8 O28 Sb4 -","4","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","0.71073","MoKα","","0.0362","0.0255","","","0.0471","0.0496","","","","","","1.004","","","","has coordinates","285430","2023-08-02","22:53:51",""
"7713648","10.1956","0.0002","14.2779","0.0002","14.7095","0.0002","92.451","0.001","101.654","0.001","100.597","0.001","2054.26","0.06","101","1","101","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 As Cl3 F3 O4 S -","- C38 H53 As Cl3 F3 O4 S -","- C76 H106 As2 Cl6 F6 O8 S2 -","2","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","1.54184","CuKα","","0.0383","0.0362","","","0.0942","0.0957","","","","","","1.056","","","","has coordinates","285430","2023-08-02","22:53:51",""
"7713649","9.8747","0.0002","12.6935","0.0003","15.4719","0.0003","87.478","0.002","77.76","0.002","83.096","0.002","1881.15","0.07","99.95","0.17","99.95","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N O4 Sb -","- C42 H56 N O4 Sb -","- C84 H112 N2 O8 Sb2 -","2","1","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","0.71073","MoKα","","0.0341","0.0276","","","0.0488","0.0535","","","","","","0.9511","","","","has coordinates","285430","2023-08-02","22:53:51",""
"7713650","9.2557","0.0005","12.8698","0.0006","23.7286","0.0011","90","","94.905","0.002","90","","2816.2","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","HNU-82","","- C24 H29 N2 O12 Tb -","- C24 H29 N2 O12 Tb -","- C96 H116 N8 O48 Tb4 -","4","1","","Ding, Shunan; Zhou, Qi; Ren, Guojian; Yang, Yonghang; Wang, Cong; che, guang; Li, Meiling; He, Danfeng; Pan, Qinhe","Single-phase white fluorescence and antibiotic detection of lanthanide metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01830J","","","1.54178","CuKα","","0.0612","0.0591","","","0.1594","0.1616","","","","","","1.103","","","","has coordinates","285440","2023-08-03","22:49:50",""
"7713651","9.257","0.0002","12.8401","0.0003","23.8208","0.0006","90","","95.633","0.001","90","","2817.69","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","HNU-83","","- C24 H29 Eu N2 O12 -","- C24 H29 Eu N2 O12 -","- C96 H116 Eu4 N8 O48 -","4","1","","Ding, Shunan; Zhou, Qi; Ren, Guojian; Yang, Yonghang; Wang, Cong; che, guang; Li, Meiling; He, Danfeng; Pan, Qinhe","Single-phase white fluorescence and antibiotic detection of lanthanide metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01830J","","","1.54178","CuKα","","0.0616","0.0604","","","0.1527","0.1546","","","","","","1.08","","","","has coordinates","285440","2023-08-03","22:49:50",""
"7713652","9.3685","0.0003","12.8587","0.0004","24.1274","0.0007","90","","96.179","0.001","90","","2889.66","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 La N2 O12 -","- C24 H29 La N2 O12 -","- C96 H116 La4 N8 O48 -","4","1","","Ding, Shunan; Zhou, Qi; Ren, Guojian; Yang, Yonghang; Wang, Cong; che, guang; Li, Meiling; He, Danfeng; Pan, Qinhe","Single-phase white fluorescence and antibiotic detection of lanthanide metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01830J","","","1.54178","CuKα","","0.0691","0.0669","","","0.1812","0.1854","","","","","","1.097","","","","has coordinates","285440","2023-08-03","22:49:50",""
"7713653","24.898","0.007","8.4","0.002","9.239","0.002","90","","110.682","0.004","90","","1807.7","0.8","99.96","","99.96","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H8 F12 O2 -","- C19 H8 F12 O2 -","- C76 H32 F48 O8 -","4","0.5","","Pellei, Maura; Del Gobbo, Jo'; Caviglia, Miriam; Karade, Deepika V.; Gandin, Valentina; Marzano, Cristina; Noonikara Poyil, Anurag; Dias, Rasika; Santini, Carlo","Synthesis and cytotoxicity studies of Cu(I) and Ag(I) complexes based on sterically hindered β-diketonates with different degrees of fluorination","Dalton Transactions","2023","","","","","10.1039/D3DT02179C","","x-ray","0.71073","MoKα","K-L~3~","0.0717","0.0474","","","0.1225","0.135","","","","","","1.044","","","","has coordinates,has disorder","285441","2023-08-03","22:50:53",""
"7713654","13.5755","0.0006","19.2736","0.0008","20.1001","0.0009","102.557","0.001","94.34","0.001","97.166","0.001","5064.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H37 Cu F12 O2 P2 -","- C55 H37 Cu F12 O2 P2 -","- C220 H148 Cu4 F48 O8 P8 -","4","2","","Pellei, Maura; Del Gobbo, Jo'; Caviglia, Miriam; Karade, Deepika V.; Gandin, Valentina; Marzano, Cristina; Noonikara Poyil, Anurag; Dias, Rasika; Santini, Carlo","Synthesis and cytotoxicity studies of Cu(I) and Ag(I) complexes based on sterically hindered β-diketonates with different degrees of fluorination","Dalton Transactions","2023","","","","","10.1039/D3DT02179C","","x-ray","0.71073","MoKα","K-L~3~","0.0606","0.0414","","","0.0974","0.1061","","","","","","1.053","","","","has coordinates","285441","2023-08-03","22:50:53",""
"7713655","10.9503","0.0003","22.1429","0.0006","16.6953","0.0005","90","","98.005","0.001","90","","4008.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Ag O2 P2 -","- C51 H41 Ag O2 P2 -","- C204 H164 Ag4 O8 P8 -","4","1","","Pellei, Maura; Del Gobbo, Jo'; Caviglia, Miriam; Karade, Deepika V.; Gandin, Valentina; Marzano, Cristina; Noonikara Poyil, Anurag; Dias, Rasika; Santini, Carlo","Synthesis and cytotoxicity studies of Cu(I) and Ag(I) complexes based on sterically hindered β-diketonates with different degrees of fluorination","Dalton Transactions","2023","","","","","10.1039/D3DT02179C","","x-ray","0.71073","MoKα","K-L~3~","0.0271","0.0237","","","0.0585","0.0611","","","","","","1.066","","","","has coordinates","285441","2023-08-03","22:50:53",""
"7713656","11.1244","0.0013","11.751","0.0013","24.533","0.003","90","","90.096","0.003","90","","3207","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Cr N2 O4 P2 -","- C32 H40 Cr N2 O4 P2 -","- C128 H160 Cr4 N8 O16 P8 -","4","2","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","","0.71073","MoKα","","0.0397","0.0377","","","0.0837","0.0849","","","","","","1.039","","","","has coordinates","285455","2023-08-04","22:51:42",""
"7713657","9.657","0.004","11.411","0.004","15.818","0.006","80.058","0.005","82.957","0.005","70.181","0.004","1611.3","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 Mo N2 O3 P2 -","- C34 H43 Mo N2 O3 P2 -","- C68 H86 Mo2 N4 O6 P4 -","2","1","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","","0.71073","MoKα","","0.0489","0.0354","","","0.0759","0.0814","","","","","","1.058","","","","has coordinates,has disorder","285455","2023-08-04","22:51:42",""
"7713658","19.8964","0.0005","19.8964","0.0005","8.112","0.0002","90","","90","","120","","2781.04","0.12","100","","100","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H42 B F4 Mn N2 O3 P2 -","- C32 H42 B F4 Mn N2 O3 P2 -","- C96 H126 B3 F12 Mn3 N6 O9 P6 -","3","0.5","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","x-ray","1.54186","CuKα","","0.0393","0.0363","","","0.0842","0.0863","","","","","","1.034","","","","has coordinates","285455","2023-08-04","22:51:42",""
"7713659","20.046","0.003","20.046","0.003","7.9727","0.0017","90","","90","","120","","2774.5","0.8","100","","100","","","","","","","","","9","P 31 2 1","P 31 2""","152","","","","- C31 H42 B Cl F4 Fe N2 O2 P2 -","- C31 H42 B Cl F4 Fe N2 O2 P2 -","- C93 H126 B3 Cl3 F12 Fe3 N6 O6 P6 -","3","0.5","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","","0.71073","MoKα","","0.0536","0.0385","","","0.0925","0.0991","","","","","","1.04","","","","has coordinates","285455","2023-08-04","22:51:43",""
"7713660","15.459","0.0008","26.826","0.002","14.072","0.0007","90","","90","","90","","5835.7","0.6","300","0.3","300","0.3","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C48 H64 B2 Fe3 N22 O6 -","- C48 H56 B2 Fe3 N22 O2 -","- C192 H224 B8 Fe12 N88 O8 -","4","0.25","","Wang, Jin-Hua; Javed, Mohammad Khurram; Li, Jia-Xin; Zhang, Yi-Quan; Li, Zhaoyang; Yamashita, Masahiro","Ferromagnetically coupled single-chain magnets exhibiting a magnetic hysteresis of 0.42 Tesla in cyano-bridged FeIII2MII (M = Ni, Fe) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01043K","","x-ray","1.54178","CuKα","","0.0717","0.0687","","","0.2039","0.2082","","","","","","1.058","","","","has coordinates,has disorder","285576","2023-08-07","22:58:17",""
"7713661","15.2745","0.0005","26.0846","0.0015","13.874","0.0004","90","","90","","90","","5527.8","0.4","126","9","126","9","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C48 H64 B2 Fe2 N22 Ni O6 -","- C48 H63.9996 B2 Fe2 N22 Ni O6 -","- C192 H255.998 B8 Fe8 N88 Ni4 O24 -","4","0.25","","Wang, Jin-Hua; Javed, Mohammad Khurram; Li, Jia-Xin; Zhang, Yi-Quan; Li, Zhaoyang; Yamashita, Masahiro","Ferromagnetically coupled single-chain magnets exhibiting a magnetic hysteresis of 0.42 Tesla in cyano-bridged FeIII2MII (M = Ni, Fe) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT01043K","","x-ray","1.54178","CuKα","","0.0827","0.0693","","","0.1919","0.2043","","","","","","1.05","","","","has coordinates,has disorder","285576","2023-08-07","22:58:20",""
"7713662","19.967","0.004","16.817","0.003","19.356","0.004","90","","104.33","0.02","90","","6297","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C101.7 H181.2 Gd4 N16 O40.9 -","- C101.7 H178.8 Gd4 N16 O40.9 -","- C203.4 H357.6 Gd8 N32 O81.8 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","0.71073","MoKα","","0.0284","0.0243","","","0.0599","0.0622","","","","","","1.048","","","","has coordinates,has disorder","285586","2023-08-08","22:50:00",""
"7713663","20.085","0.003","16.869","0.002","19.367","0.002","90","","103.93","0.02","90","","6368.8","1.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C98.1 H174.8 Eu4 N15 O38.8 -","- C98.1 H171.2 Eu4 N15 O38.8 -","- C196.2 H342.4 Eu8 N30 O77.6 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","1.5418","CuKα","","0.034","0.0326","","","0.0991","0.0999","","","","","","1.086","","","","has coordinates,has disorder","285586","2023-08-08","22:50:00",""
"7713664","19.801","0.004","16.681","0.003","19.381","0.004","90","","104.09","0.02","90","","6209","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C97.4 H169.6 N16 O39.4 Sm4 -","- C97.4 H162.4 N16 O39.4 Sm4 -","- C194.8 H324.8 N32 O78.8 Sm8 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","1.5418","CuKα","","0.0321","0.031","","","0.0863","0.0871","","","","","","1.046","","","","has coordinates,has disorder","285586","2023-08-08","22:50:00",""
"7713665","20.134","0.005","16.859","0.004","19.337","0.005","90","","103.91","0.03","90","","6371","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C98.38 H173.92 Gd4 N15 O38.08 -","- C98.38 H171.92 Gd4 N15 O38.08 -","- C196.76 H343.84 Gd8 N30 O76.16 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","1.5418","CuKα","","0.0405","0.0392","","","0.1127","0.1136","","","","","","1.032","","","","has coordinates,has disorder","285586","2023-08-08","22:50:01",""
"7713666","20.006","0.003","16.864","0.002","19.373","0.003","90","","104.19","0.02","90","","6336.7","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C99.9 H179.6 Eu4 N16 O41.9 -","- C99.9 H175.6 Eu4 N16 O41.9 -","- C199.8 H351.2 Eu8 N32 O83.8 -","2","0.5","","Wydra, Karol Piotr; Kinzhybalo, Vasyl; Lisowski, Jerzy","Solid State Structures and Solution Behaviour of Tetranuclear Lanthanide(III) Carbonate-Bridged Coordination Compounds of Chiral 3+3 Amine Macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT01948A","","","0.71073","MoKα","","0.0241","0.0223","","","0.0592","0.0599","","","","","","1.031","","","","has coordinates,has disorder","285586","2023-08-08","22:50:01",""
"7713667","12.4989","0.0005","12.5715","0.0005","15.7661","0.0006","90","","90","","90","","2477.33","0.17","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl3 N3 O3 V -","- C21 H31 Cl3 N3 O3 V -","- C84 H124 Cl12 N12 O12 V4 -","4","1","","Zhang, Guoqi; Neary, Michelle C.; Zeng, Haisu; Zheng, Shengping; Tang, Quan; Ates, Selin","Vanadium-catalysed regioselective hydroboration of epoxides for synthesis of secondary alcohols","Dalton Transactions","2023","","","","","10.1039/D3DT01865B","","","0.71073","MoKα","","0.0522","0.0359","","","0.08","0.0867","","","","","","1.053","","","","has coordinates","285587","2023-08-08","22:50:55",""
"7713668","11.4205","0.0011","12.1977","0.0011","14.9072","0.0013","111.137","0.004","102.735","0.004","102.469","0.004","1786.9","0.3","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Br4 Cu N8 O2 -","- C36 H22 Br4 Cu N8 O2 -","- C72 H44 Br8 Cu2 N16 O4 -","2","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","","0.71073","MoKα","","0.0653","0.0419","","","0.096","0.1092","","","","","","1.002","","","","has coordinates,has disorder","285588","2023-08-08","22:52:51",""
"7713669","15.6984","0.0007","11.6109","0.0005","20.2139","0.0011","90","","90.498","0.004","90","","3684.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl2 Cu N8 O2.5 -","- C38 H29 Cl2 Cu N8 O2.5 -","- C152 H116 Cl8 Cu4 N32 O10 -","4","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","0.71073","MoKα","","0.08","0.0562","","","0.1581","0.1958","","","","","","0.998","","","","has coordinates,has disorder","285588","2023-08-08","22:52:52",""
"7713670","23.4053","0.0015","14.7639","0.0008","22.8746","0.0016","90","","97.788","0.006","90","","7831.5","0.9","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Br2 Cl4 Cu N9 O2 -","- C38 H22 Br2 Cl4 Cu N9 O2 -","- C304 H176 Br16 Cl32 Cu8 N72 O16 -","8","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","0.71073","MoKα","","0.0946","0.0477","","","0.1038","0.1327","","","","","","0.992","","","","has coordinates,has disorder","285588","2023-08-08","22:52:52",""
"7713671","13.4524","0.0005","10.6152","0.0004","25.0931","0.0008","90","","101.312","0.003","90","","3513.7","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Br2 Cu N8 O4 -","- C38 H28 Br2 Cu N8 O4 -","- C152 H112 Br8 Cu4 N32 O16 -","4","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","1.3405","GaKα","","0.0423","0.0339","","","0.0749","0.08","","","","","","1.039","","","","has coordinates","285588","2023-08-08","22:52:52",""
"7713672","13.5505","0.0009","10.7298","0.0009","25.0311","0.0019","90","","102.958","0.007","90","","3546.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl2 Cu N8 O4 -","- C38 H28 Cl2 Cu N8 O4 -","- C152 H112 Cl8 Cu4 N32 O16 -","4","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","0.71073","MoKα","","0.0886","0.048","","","0.1057","0.1367","","","","","","0.999","","","","has coordinates","285588","2023-08-08","22:52:52",""
"7713673","18.6784","0.0003","15.0262","0.0002","11.9841","0.0001","90","","104.981","0.001","90","","3249.2","0.07","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Cl2 Cu N10 O6 -","- C36 H22 Cl2 Cu N10 O6 -","- C144 H88 Cl8 Cu4 N40 O24 -","4","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","1.3405","GaKα","","0.0436","0.0371","","","0.0844","0.087","","","","","","0.996","","","","has coordinates","285588","2023-08-08","22:52:52",""
"7713674","11.4592","0.001","12.1673","0.0011","14.7545","0.0014","111.949","0.004","103.209","0.004","103.135","0.004","1742.7","0.3","301","2","301","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H22 Br2 Cl2 Cu N8 O2 -","- C36 H22 Br2 Cl2 Cu N8 O2 -","- C72 H44 Br4 Cl4 Cu2 N16 O4 -","2","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","","0.71073","MoKα","","0.0514","0.0385","","","0.0943","0.1036","","","","","","1.02","","","","has coordinates","285588","2023-08-08","22:52:52",""
"7713675","22.763","0.003","15.0213","0.0012","23.524","0.003","90","","98.088","0.011","90","","7963.5","1.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Br6 Cu N9 O2 -","- C38 H22 Br6 Cu N9 O2 -","- C304 H176 Br48 Cu8 N72 O16 -","8","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","","0.71073","MoKα","","0.284","0.085","","","0.1289","0.2035","","","","","","0.972","","","","has coordinates","285588","2023-08-08","22:52:53",""
"7713676","12.9685","0.0017","14.0639","0.0016","39.685","0.004","90","","95.558","0.01","90","","7204","1.5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H20 Cl6 Cu N8 O2 -","- C36 H20 Cl6 Cu N8 O2 -","- C288 H160 Cl48 Cu8 N64 O16 -","8","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","0.71073","MoKα","","0.1657","0.0672","","","0.1007","0.1404","","","","","","0.971","","","","has coordinates","285588","2023-08-08","22:52:53",""
"7713677","16.6366","0.0007","8.0081","0.0004","23.0142","0.001","90","","105.41","0.004","90","","2955.9","0.2","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Br12 Cl6 N6 Pb3 -","- C36 H42 Br12 Cl6 N6 Pb3 -","- C72 H84 Br24 Cl12 N12 Pb6 -","2","0.5","","Jiang, Xiaofan; Tao, Yu; Gu, Jiazhen; Jin, Leyang; Li, Chen; Zhang, Wenkai; Fu, Yongping","Broadband emission originating from the stereochemical expression of 6s<sup>2</sup> lone pairs in two-dimensional lead bromide perovskites.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01627g","","","0.71073","MoKα","","0.0738","0.0565","","","0.1366","0.151","","","","","","1.054","","","","has coordinates","285589","2023-08-08","22:53:56",""
"7713678","21.4469","0.0007","17.9353","0.0006","18.5471","0.0006","90","","105.194","0.001","90","","6884.9","0.4","170","2","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H90 F6 Ga2 N6 O6 S2 -","- C70 H90 F6 Ga2 N6 O6 S2 -","- C280 H360 F24 Ga8 N24 O24 S8 -","4","0.5","","Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di","N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring","Dalton Transactions","2023","","","","","10.1039/D3DT00782K","","","0.71073","MoKα","","0.0386","0.0307","","","0.0755","0.0806","","","","","","1.038","","","","has coordinates","285590","2023-08-08","22:55:06",""
"7713679","12.797","0.002","13.824","0.002","15.574","0.002","90","","103.57","0.005","90","","2678.2","0.7","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Cl2 Ge2 N6 -","- C54 H72 Cl2 Ge2 N6 -","- C108 H144 Cl4 Ge4 N12 -","2","0.5","","Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di","N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring","Dalton Transactions","2023","","","","","10.1039/D3DT00782K","","","0.71073","MoKα","","0.1501","0.0779","","","0.1891","0.2301","","","","","","1.036","","","","has coordinates,has disorder","285590","2023-08-08","22:55:07",""
"7713680","12.7756","0.0018","23.239","0.003","12.8137","0.0017","90","","114.876","0.005","90","","3451.3","0.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H92 Ga2 N6 S4 -","- C78 H92 Ga2 N6 S4 -","- C156 H184 Ga4 N12 S8 -","2","0.5","","Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di","N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring","Dalton Transactions","2023","","","","","10.1039/D3DT00782K","","","0.71073","MoKα","","0.0838","0.0596","","","0.1618","0.194","","","","","","1.053","","","","has coordinates","285590","2023-08-08","22:55:07",""
"7713681","19.493","0.0003","19.493","0.0003","10.5729","0.0003","90","","90","","90","","4017.46","0.14","170","2","170","","","","","","","","","5","P -4","P -4","81","","","","- C88 H92 Ga2 N6 O4 -","- C88 H92 Ga2 N6 O4 -","- C176 H184 Ga4 N12 O8 -","2","0.5","","Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di","N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring","Dalton Transactions","2023","","","","","10.1039/D3DT00782K","","","0.71073","MoKα","","0.0276","0.0254","","","0.0647","0.0659","","","","","","1.04","","","","has coordinates,has disorder","285590","2023-08-08","22:55:07",""
"7713682","31.3223","0.0016","12.3615","0.0006","30.9147","0.0016","90","","118.417","0.001","90","","10527.6","0.9","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Ga2 N6 -","- C54 H72 Ga2 N6 -","- C432 H576 Ga16 N48 -","8","2","","Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di","N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring","Dalton Transactions","2023","","","","","10.1039/D3DT00782K","","","0.71073","MoKα","","0.1217","0.0558","","","0.1093","0.1367","","","","","","1.014","","","","has coordinates","285590","2023-08-08","22:55:07",""
"7713683","24.412","0.002","9.5067","0.0008","23.7787","0.0019","90","","93.72","0.002","90","","5506.9","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F6 Ga N4 O5 P -","- C28 H24 F6 Ga N4 O5 P -","- C224 H192 F48 Ga8 N32 O40 P8 -","8","1","","More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin","Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01761C","","x-ray","0.71073","MoKα","K-L~3~","0.1044","0.0517","","","0.1093","0.1326","","","","","","1.015","","","","has coordinates","285591","2023-08-08","22:56:39",""
"7713684","15.8706","0.0009","8.8591","0.0005","23.0866","0.0012","90","","109.003","0.001","90","","3069.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H24.5 F6 Ga N4 O4.75 P -","- C32.5 H24.5 F6 Ga N4 O4.75 P -","- C130 H98 F24 Ga4 N16 O19 P4 -","4","1","","More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin","Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01761C","","x-ray","0.71073","MoKα","K-L~3~","0.0876","0.0581","","","0.133","0.1465","","","","","","1.068","","","","has coordinates,has disorder","285591","2023-08-08","22:56:39",""
"7713685","24.4395","0.0007","8.6262","0.0003","26.9096","0.0007","90","","110.515","0.0014","90","","5313.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F6 Ga N4 O4 P -","- C27 H20 F6 Ga N4 O4 P -","- C216 H160 F48 Ga8 N32 O32 P8 -","8","2","","More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin","Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01761C","","x-ray","1.54178","CuKα","K-L~3~","0.0845","0.0688","","","0.1797","0.1916","","","","","","1.056","","","","has coordinates,has disorder","285591","2023-08-08","22:56:39",""
"7713686","32.0378","0.001","32.0378","0.001","23.4142","0.0011","90","","90","","90","","24032.8","1.5","100","2","100","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C27.2 H24.97 Cl0.5 F3 Ga N4 O7.28 P0.5 -","- C27.2 H24.9666 Cl0.5 F3 Ga N4 O7.2833 P0.5 -","- C870.4 H798.931 Cl16 F96 Ga32 N128 O233.066 P16 -","32","1","","More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin","Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01761C","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0652","","","0.1767","0.1949","","","","","","1.073","","","","has coordinates,has disorder","285591","2023-08-08","22:56:39",""
"7713687","24.1902","0.0011","24.1902","0.0011","22.8468","0.0012","90","","90","","90","","13369.2","1.1","203","2","203","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 H48 Cu4 N4 S8 -","- C56 H48 Cu4 N4 S8 -","- C448 H384 Cu32 N32 S64 -","8","0.25","","Khanzadeh, Atousa; Ataie, Saeed; Baker, R. Tom","Tetracopper(I) thiolate- and amido-(SNS) complexes and copper-catalyzed azide-alkyne cycloaddition in water","Dalton Transactions","2023","","","","","10.1039/D3DT01651J","","","0.71073","MoKα","","0.1684","0.1409","","","0.321","0.3352","","","","","","1.134","","","","has coordinates,has disorder","285592","2023-08-08","22:57:35",""
"7713688","14.4406","0.0012","14.4406","0.0012","14.0771","0.0012","90","","90","","90","","2935.5","0.4","203","2","203","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H64 Cu4 N4 S8 -","- C60 H64 Cu4 N4 S8 -","- C120 H128 Cu8 N8 S16 -","2","0.25","","Khanzadeh, Atousa; Ataie, Saeed; Baker, R. Tom","Tetracopper(I) thiolate- and amido-(SNS) complexes and copper-catalyzed azide-alkyne cycloaddition in water","Dalton Transactions","2023","","","","","10.1039/D3DT01651J","","","0.71073","MoKα","","0.0608","0.0373","","","0.0841","0.0949","","","","","","1.039","","","","has coordinates","285592","2023-08-08","22:57:35",""
"7713689","12.9451","0.0013","35.541","0.003","15.6372","0.0014","90","","108.592","0.004","90","","6818.9","1.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H94 N4 O18 P4 Pb -","- C58 H94 N4 O18 P4 Pb -","- C232 H376 N16 O72 P16 Pb4 -","4","1","","Konopkina, Ekaterina; Pozdeev, Anton; Kalle, Paulina; Kirsanov, Dmitry; Smol'yanov, Nikolai; Kirsanova, Anna A.; Kalmykov, Stepan; Petrov, Vladimir G.; Borisova, Nataliya E.; Matveev, Petr I.","Sensing and extraction of hazardous metals by di-phosphonates of heterocycles: a combined experimental and theoretical study","Dalton Transactions","2023","","","","","10.1039/D3DT01534C","","","0.71073","MoKα","","0.1143","0.0747","","","0.1991","0.2263","","","","","","1.039","","","","has coordinates,has disorder","285593","2023-08-08","22:58:29",""
"7713690","12.8333","0.0009","16.1328","0.0011","13.2377","0.0009","90","","110.798","0.002","90","","2562.1","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Cd2 Cl3.6 N2.4 O13.2 P4 -","- C34 H62 Cd2 Cl3.6 N2.4 O13.2 P4 -","- C68 H124 Cd4 Cl7.2 N4.8 O26.4 P8 -","2","0.5","","Konopkina, Ekaterina; Pozdeev, Anton; Kalle, Paulina; Kirsanov, Dmitry; Smol'yanov, Nikolai; Kirsanova, Anna A.; Kalmykov, Stepan; Petrov, Vladimir G.; Borisova, Nataliya E.; Matveev, Petr I.","Sensing and extraction of hazardous metals by di-phosphonates of heterocycles: a combined experimental and theoretical study","Dalton Transactions","2023","","","","","10.1039/D3DT01534C","","","0.71073","MoKα","","0.0395","0.0355","","","0.0785","0.0801","","","","","","1.149","","","","has coordinates,has disorder","285593","2023-08-08","22:58:29",""
"7713691","22.4562","0.0014","13.6538","0.0009","18.4024","0.0011","90","","108.491","0.002","90","","5351.1","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cd N3 O12 P2 -","- C17 H31 Cd N3 O12 P2 -","- C136 H248 Cd8 N24 O96 P16 -","8","2","","Konopkina, Ekaterina; Pozdeev, Anton; Kalle, Paulina; Kirsanov, Dmitry; Smol'yanov, Nikolai; Kirsanova, Anna A.; Kalmykov, Stepan; Petrov, Vladimir G.; Borisova, Nataliya E.; Matveev, Petr I.","Sensing and extraction of hazardous metals by di-phosphonates of heterocycles: a combined experimental and theoretical study","Dalton Transactions","2023","","","","","10.1039/D3DT01534C","","","0.71073","MoKα","","0.0814","0.0449","","","0.083","0.0955","","","","","","1.092","","","","has coordinates","285593","2023-08-08","22:58:29",""
"7713692","13.1578","0.0015","11.6873","0.0013","19.14","0.002","90","","103.637","0.004","90","","2860.4","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F12 N6 P2 Ru -","- C23 H28 F12 N6 P2 Ru -","- C92 H112 F48 N24 P8 Ru4 -","4","1","","Kumar, Rakesh; Ahsan, Faiza; Awasthi, Ayushi; Swart, Marcel; Draksharapu, Apparao","Generation of Ru(III)-hypochlorite with resemblance to heme dependent haloperoxidase enzyme","Dalton Transactions","2023","","","","","10.1039/D3DT02028B","","","0.71073","MoKα","","0.1349","0.0755","","","0.19","0.2407","","","","","","0.984","","","","has coordinates","285603","2023-08-09","22:49:08",""
"7713693","8.5376","0.0019","7.1964","0.0015","11.685","0.004","90","","105.27","0.03","90","","692.6","0.3","115.75","0.1","115.75","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Chao; Xu, Meiqi; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Wu, Xiaowei; Li, Zhimin; Zhang, Jianguo","Combining the Advantages of 1,3,4-Oxadiazole and Tetrazole Enables High-Energy Insensitive Materials","Dalton Transactions","2023","","","","","10.1039/D3DT02079G","","x-ray","0.71073","MoKα","","0.1374","0.0818","","","0.1694","0.2002","","","","","","1.034","","","","has coordinates","285604","2023-08-09","22:49:59",""
"7713694","3.671","0.0005","13.8594","0.0013","15.598","0.0015","90","","91.269","0.002","90","","793.4","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O -","- C3 H7 N9 O -","- C12 H28 N36 O4 -","4","1","","Zhang, Chao; Xu, Meiqi; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Wu, Xiaowei; Li, Zhimin; Zhang, Jianguo","Combining the Advantages of 1,3,4-Oxadiazole and Tetrazole Enables High-Energy Insensitive Materials","Dalton Transactions","2023","","","","","10.1039/D3DT02079G","","","0.71073","MoKα","","0.093","0.0658","","","0.166","0.1811","","","","","","1.043","","","","has coordinates","285604","2023-08-09","22:49:59",""
"7713695","5.563","0.0005","9.2316","0.0008","10.4531","0.0011","102.789","0.008","98.212","0.008","104.552","0.008","495.39","0.09","115.7","0.1","115.7","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 Ca N14 O10 -","- C6 H16 Ca N14 O10 -","- C6 H16 Ca N14 O10 -","1","0.5","","Zhang, Chao; Xu, Meiqi; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Wu, Xiaowei; Li, Zhimin; Zhang, Jianguo","Combining the Advantages of 1,3,4-Oxadiazole and Tetrazole Enables High-Energy Insensitive Materials","Dalton Transactions","2023","","","","","10.1039/D3DT02079G","","x-ray","0.71073","MoKα","","0.0817","0.0582","","","0.1357","0.1577","","","","","","1.062","","","","has coordinates","285604","2023-08-09","22:50:00",""
"7713696","6.8816","0.0006","16.816","0.002","7.3514","0.0006","90","","94.342","0.008","90","","848.27","0.14","117.65","0.1","117.65","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 N8 O3 -","- C3 H8 N8 O3 -","- C12 H32 N32 O12 -","4","1","","Zhang, Chao; Xu, Meiqi; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Wu, Xiaowei; Li, Zhimin; Zhang, Jianguo","Combining the Advantages of 1,3,4-Oxadiazole and Tetrazole Enables High-Energy Insensitive Materials","Dalton Transactions","2023","","","","","10.1039/D3DT02079G","","x-ray","0.71073","MoKα","","0.1064","0.0635","","","0.1285","0.1531","","","","","","1.0634","","","","has coordinates","285604","2023-08-09","22:50:00",""
"7713697","8.4982","0.0002","7.1276","0.0002","13.8819","0.0004","90","","103.573","0.003","90","","817.37","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 N6 O7 -","- C3 H2 N6 O7 -","- C12 H8 N24 O28 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Trinitromethyl-Triazolone (TNMTO): A Highly Dense Oxidizer","Dalton Transactions","2023","","","","","10.1039/D3DT02232C","","x-ray","1.54184","CuKα","","0.0551","0.0459","","","0.1274","0.1356","","","","","","1.055","","","","has coordinates","285605","2023-08-09","22:50:56",""
"7713698","8.2607","0.0001","9.1353","0.0001","12.5011","0.0002","90","","96.679","0.001","90","","936.98","0.02","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C4 H8 N6 O7 -","- C4 H8 N6 O7 -","- C16 H32 N24 O28 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Trinitromethyl-Triazolone (TNMTO): A Highly Dense Oxidizer","Dalton Transactions","2023","","","","","10.1039/D3DT02232C","","x-ray","1.54184","CuKα","","0.0295","0.0286","","","0.0756","0.0765","","","","","","1.065","","","","has coordinates","285605","2023-08-09","22:50:56",""
"7713699","3.63691","0.00018","17.1203","0.0009","12.4539","0.0006","90","","94.177","0.004","90","","773.38","0.07","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N7 O5 -","- C3 H7 N7 O5 -","- C12 H28 N28 O20 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Trinitromethyl-Triazolone (TNMTO): A Highly Dense Oxidizer","Dalton Transactions","2023","","","","","10.1039/D3DT02232C","","x-ray","1.54184","CuKα","","0.0623","0.0452","","","0.1107","0.1229","","","","","","1.077","","","","has coordinates","285605","2023-08-09","22:50:57",""
"7713700","30.0109","0.0004","11.148","0.0001","17.8024","0.0002","90","","100.515","0.001","90","","5855.98","0.12","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 As Co3 Mo O11 -","- C25 H18 As Co3 Mo O11 -","- C200 H144 As8 Co24 Mo8 O88 -","8","1","","Hill, Anthony; Kirk, Ryan M.","Free and Coordinated Biarsolyls","Dalton Transactions","2023","","","","","10.1039/D3DT02070C","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0869","0.0877","","","","","","1.064","","","","has coordinates","285607","2023-08-09","22:53:21",""
"7713701","13.6104","0.0011","14.7837","0.0007","13.7151","0.0012","90","","100.707","0.008","90","","2711.6","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 As F6 Fe Mo O5 P -","- C23 H22 As F6 Fe Mo O5 P -","- C92 H88 As4 F24 Fe4 Mo4 O20 P4 -","4","1","","Hill, Anthony; Kirk, Ryan M.","Free and Coordinated Biarsolyls","Dalton Transactions","2023","","","","","10.1039/D3DT02070C","","x-ray","1.54184","CuKα","","0.0996","0.0743","","","0.1961","0.2143","","","","","","1.034","","","","has coordinates","285607","2023-08-09","22:53:21",""
"7713702","21.2484","0.0013","7.1671","0.0001","12.0812","0.0007","90","","140.098","0.012","90","","1180.2","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 As -","- C16 H12 As -","- C64 H48 As4 -","4","1","","Hill, Anthony; Kirk, Ryan M.","Free and Coordinated Biarsolyls","Dalton Transactions","2023","","","","","10.1039/D3DT02070C","","x-ray","1.54184","CuKα","","0.0226","0.0214","","","0.0584","0.0593","","","","","","1.074","","","","has coordinates","285607","2023-08-09","22:53:21",""
"7713703","10.0861","0.0003","10.5319","0.0004","13.266","0.0005","77.541","0.003","70.581","0.003","61.676","0.003","1167.06","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 As Cr Mo O8 -","- C21 H17 As Cr Mo O8 -","- C42 H34 As2 Cr2 Mo2 O16 -","2","1","","Hill, Anthony; Kirk, Ryan M.","Free and Coordinated Biarsolyls","Dalton Transactions","2023","","","","","10.1039/D3DT02070C","","x-ray","1.54184","CuKα","","0.0296","0.0273","","","0.0681","0.0698","","","","","","1.043","","","","has coordinates","285607","2023-08-09","22:53:22",""
"7713704","14.9876","0.0002","9.2792","0.0001","17.3004","0.0002","90","","96.565","0.001","90","","2390.24","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 As Mn Mo O5 -","- C24 H24 As Mn Mo O5 -","- C96 H96 As4 Mn4 Mo4 O20 -","4","1","","Hill, Anthony; Kirk, Ryan M.","Free and Coordinated Biarsolyls","Dalton Transactions","2023","","","","","10.1039/D3DT02070C","","x-ray","1.54184","CuKα","","0.0277","0.0253","","","0.0594","0.0611","","","","","","1.036","","","","has coordinates","285607","2023-08-09","22:53:22",""
"7713705","23.8893","0.0005","38.4002","0.0003","14.8049","0.0003","90","","136.531","0.004","90","","9343.4","0.7","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 As Au F5 Mo O3 -","- C22 H17 As Au F5 Mo O3 -","- C352 H272 As16 Au16 F80 Mo16 O48 -","16","4","","Hill, Anthony; Kirk, Ryan M.","Free and Coordinated Biarsolyls","Dalton Transactions","2023","","","","","10.1039/D3DT02070C","","x-ray","1.54184","CuKα","","0.046","0.0369","","","0.0794","0.084","","","","","","1.028","","","","has coordinates","285607","2023-08-09","22:53:22",""
"7713706","18.962","0.0017","14.004","0.0008","19.703","0.002","90","","90","","90","","5232","0.8","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H74 Al2 Li2 N4 P2 Se2 -","- C46 H74 Al2 Li2 N4 P2 Se2 -","- C184 H296 Al8 Li8 N16 P8 Se8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0987","0.0551","","","0.1028","0.1289","","","","","","1.15","","","","has coordinates","285608","2023-08-09","22:57:17",""
"7713707","12.94","0.0013","22.914","0.002","17.314","0.0015","90","","104.565","0.007","90","","4968.7","0.8","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H78 Al2 Li2 N4 O4 P2 -","- C40 H78 Al2 Li2 N4 O4 P2 -","- C160 H312 Al8 Li8 N16 O16 P8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0665","0.0462","","","0.0955","0.1093","","","","","","1.166","","","","has coordinates,has disorder","285608","2023-08-09","22:57:28",""
"7713708","10.341","0.0004","10.479","0.0004","11.843","0.0004","105.389","0.004","104.811","0.003","110.097","0.003","1073.37","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H66 Al2 Li2 N4 O2 P2 -","- C36 H66 Al2 Li2 N4 O2 P2 -","- C36 H66 Al2 Li2 N4 O2 P2 -","1","0.5","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0389","0.0305","","","0.0724","0.0788","","","","","","1.083","","","","has coordinates","285608","2023-08-09","22:57:28",""
"7713709","10.773","0.0012","17.3471","0.0017","13.709","0.0012","90","","108.295","0.008","90","","2432.4","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Al Li N2 O P -","- C20 H39 Al Li N2 O P -","- C80 H156 Al4 Li4 N8 O4 P4 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0578","0.0399","","","0.0879","0.1043","","","","","","1.142","","","","has coordinates","285608","2023-08-09","22:57:28",""
"7713710","12.824","0.001","17.723","0.0018","19.1321","0.0018","90","","109.123","0.008","90","","4108.4","0.7","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H69 Al Li N2 O2 P -","- C38 H69 Al Li N2 O2 P -","- C152 H276 Al4 Li4 N8 O8 P4 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0736","0.0457","","","0.0985","0.127","","","","","","1.007","","","","has coordinates,has disorder","285608","2023-08-09","22:57:29",""
"7713711","24.319","0.0003","24.319","0.0003","14.0521","0.0004","90","","90","","90","","8310.6","0.3","150","1","150","1","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C16 H29 Al K N2 P -","- C16 H29 Al K N2 P -","- C256 H464 Al16 K16 N32 P16 -","16","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0517","0.0381","","","0.0955","0.116","","","","","","1.087","","","","has coordinates","285608","2023-08-09","22:57:29",""
"7713712","18.447","0.0011","12","0.0017","27.745","0.0008","90","","131.264","0.007","90","","4616.6","0.9","150","2","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 Al Cl N2 P Si -","- C18 H35 Al Cl N2 P Si -","- C144 H280 Al8 Cl8 N16 P8 Si8 -","8","2","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0531","0.037","","","0.0871","0.1011","","","","","","1.116","","","","has coordinates,has disorder","285608","2023-08-09","22:57:29",""
"7713713","10.72","0.0005","15.4029","0.0014","17.697","0.001","90","","122.919","0.005","90","","2452.9","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Al Cl N2 P2 -","- C20 H38 Al Cl N2 P2 -","- C80 H152 Al4 Cl4 N8 P8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0419","0.0289","","","0.071","0.0865","","","","","","1.177","","","","has coordinates","285608","2023-08-09","22:57:29",""
"7713714","11.2329","0.001","18.4331","0.0017","18.368","0.0009","90","","115.71","0.005","90","","3426.7","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Al N3 P2 -","- C34 H52 Al N3 P2 -","- C136 H208 Al4 N12 P8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0572","0.0371","","","0.0824","0.1011","","","","","","1.15","","","","has coordinates","285608","2023-08-09","22:57:29",""
"7713715","9.499","0.0008","12.1891","0.0013","20.8711","0.0017","90","","91.82","0.007","90","","2415.3","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Al N2 P Pb -","- C19 H38 Al N2 P Pb -","- C76 H152 Al4 N8 P4 Pb4 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0701","0.0408","","","0.0928","0.1167","","","","","","1.279","","","","has coordinates","285608","2023-08-09","22:57:30",""
"7713716","9.199","0.0011","17.8961","0.0019","15.622","0.0004","90","","107.492","0.006","90","","2452.9","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Al Cl N2 P2 -","- C22 H34 Al Cl N2 P2 -","- C88 H136 Al4 Cl4 N8 P8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0463","0.0336","","","0.0792","0.0907","","","","","","1.156","","","","has coordinates","285608","2023-08-09","22:57:30",""
"7713717","8.683","0.0005","21.248","0.0012","19.063","0.002","90","","112.827","0.006","90","","3241.6","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Al N2 P Sn -","- C34 H44 Al N2 P Sn -","- C136 H176 Al4 N8 P4 Sn4 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.034","0.0219","","","0.0485","0.0577","","","","","","1.149","","","","has coordinates","285608","2023-08-09","22:57:30",""
"7713718","12.9731","0.0013","16.399","0.0008","21.549","0.0012","90","","125.056","0.006","90","","3752.8","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H65 Al N3 P Te -","- C32 H65 Al N3 P Te -","- C128 H260 Al4 N12 P4 Te4 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0739","0.0378","","","0.0637","0.0812","","","","","","1.194","","","","has coordinates","285608","2023-08-09","22:57:30",""
"7713719","16.4341","0.0013","10.063","0.001","18.193","0.001","90","","109.016","0.005","90","","2844.5","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Al N2 P2 -","- C28 H39 Al N2 P2 -","- C112 H156 Al4 N8 P8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0986","0.0516","","","0.1018","0.1321","","","","","","1.185","","","","has coordinates,has disorder","285608","2023-08-09","22:57:30",""
"7713720","15.271","0.0017","10.305","0.0008","27.009","0.005","90","","104.275","0.011","90","","4119.1","1","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 Al2 N4 P2 Sn -","- C34 H64 Al2 N4 P2 Sn -","- C136 H256 Al8 N16 P8 Sn4 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0435","0.0309","","","0.0606","0.0672","","","","","","1.143","","","","has coordinates","285608","2023-08-09","22:57:30",""
"7713721","18.447","0.0011","12.0001","0.0017","27.745","0.0008","90","","131.264","0.007","90","","4616.7","0.9","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 Al Cl N2 P Si -","- C18 H35 Al Cl N2 P Si -","- C144 H280 Al8 Cl8 N16 P8 Si8 -","8","2","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0543","0.0383","","","0.0954","0.1105","","","","","","1.114","","","","has coordinates","285608","2023-08-09","22:57:31",""
"7713722","18.5602","0.0003","12.0744","0.0004","27.8681","0.0003","90","","131.731","0.002","90","","4660.8","0.2","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 Al Cl Ge N2 P -","- C18 H35 Al Cl Ge N2 P -","- C144 H280 Al8 Cl8 Ge8 N16 P8 -","8","2","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0753","0.0438","","","0.093","0.1176","","","","","","1.229","","","","has coordinates","285608","2023-08-09","22:57:31",""
"7713723","41.9814","0.0005","41.9814","0.0008","53.6321","0.001","90","","90","","120","0.0013","81860","3","103","2","103.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C186 H154 Ce Cl6 N8 O8 -","- C186 H154 Ce Cl6 N8 O8 -","- C3348 H2772 Ce18 Cl108 N144 O144 -","18","1","","Nishino, Toshio; Fukumura, Masafumi; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael","Multiply Engaged Molecular Gear composed of Cerium (IV) Double-Decker of a triptycene-functionalized Porphyrin","Dalton Transactions","2023","","","","","10.1039/D3DT02443A","","x-ray","0.71075","MoKα","","0.1018","0.086","","","0.2678","0.2866","","","","","","1.17","","","","has coordinates,has disorder","285609","2023-08-09","22:59:46",""
"7713724","8.8814","0.0006","22.8613","0.0013","12.7791","0.0009","90","","109.276","0.005","90","","2449.2","0.3","100","","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H21 Cl F6 N3 O P Ru S -","- C21 H21 Cl F6 N3 O P Ru S -","- C84 H84 Cl4 F24 N12 O4 P4 Ru4 S4 -","4","1","","Křikavová, Radka; Romanovová, Michaela; Jendželovská, Zuzana; Majerník, Martin; Masaryk, Lukáš; Zoufalý, Pavel; Milde, David; Moncol, Jan; Herchel, Radovan; Jedželovský, Rastislav; Nemec, Ivan","Impact of central atom and halido ligand on structure, antiproliferative activity and selectivity of half-sandwich Ru(II) and Ir(III) complexes with a 1,3,4-thiadiazole-based ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01696J","","","1.54186","CuKα","","0.0506","0.0414","","","0.0828","0.0842","","","","","","0.895","","","","has coordinates","285631","2023-08-11","22:55:14",""
"7713725","12.5825","0.0005","12.3006","0.0003","15.4471","0.0006","90","","90.752","0.003","90","","2390.58","0.15","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl F6 Ir N3 O P S -","- C21 H22 Cl F6 Ir N3 O P S -","- C84 H88 Cl4 F24 Ir4 N12 O4 P4 S4 -","4","1","","Křikavová, Radka; Romanovová, Michaela; Jendželovská, Zuzana; Majerník, Martin; Masaryk, Lukáš; Zoufalý, Pavel; Milde, David; Moncol, Jan; Herchel, Radovan; Jedželovský, Rastislav; Nemec, Ivan","Impact of central atom and halido ligand on structure, antiproliferative activity and selectivity of half-sandwich Ru(II) and Ir(III) complexes with a 1,3,4-thiadiazole-based ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01696J","","","1.54186","CuKα","","0.0332","0.0285","","","0.0687","0.0704","","","","","","1.106","","","","has coordinates","285631","2023-08-11","22:55:15",""
"7713726","9.1768","0.0002","10.2321","0.0002","15.0893","0.0002","73.27","0.002","75.493","0.002","78.754","0.002","1302.03","0.05","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C21 H21 F6 I N3 O P Ru S -","- C21 H21 F6 I N3 O P Ru S -","- C42 H42 F12 I2 N6 O2 P2 Ru2 S2 -","2","1","","Křikavová, Radka; Romanovová, Michaela; Jendželovská, Zuzana; Majerník, Martin; Masaryk, Lukáš; Zoufalý, Pavel; Milde, David; Moncol, Jan; Herchel, Radovan; Jedželovský, Rastislav; Nemec, Ivan","Impact of central atom and halido ligand on structure, antiproliferative activity and selectivity of half-sandwich Ru(II) and Ir(III) complexes with a 1,3,4-thiadiazole-based ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01696J","","","1.54184","CuKα","","0.0399","0.0388","","","0.1101","0.1117","","","","","","1.077","","","","has coordinates","285631","2023-08-11","22:55:15",""
"7713727","12.5694","0.0002","12.3287","0.0001","15.6996","0.0002","90","","90.549","0.001","90","","2432.77","0.05","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F6 I Ir N3 O P S -","- C21 H22 F6 I Ir N3 O P S -","- C84 H88 F24 I4 Ir4 N12 O4 P4 S4 -","4","1","","Křikavová, Radka; Romanovová, Michaela; Jendželovská, Zuzana; Majerník, Martin; Masaryk, Lukáš; Zoufalý, Pavel; Milde, David; Moncol, Jan; Herchel, Radovan; Jedželovský, Rastislav; Nemec, Ivan","Impact of central atom and halido ligand on structure, antiproliferative activity and selectivity of half-sandwich Ru(II) and Ir(III) complexes with a 1,3,4-thiadiazole-based ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01696J","","","1.54186","CuKα","","0.0575","0.0504","","","0.1526","0.1569","","","","","","1.076","","","","has coordinates","285631","2023-08-11","22:55:15",""
"7713728","9.3104","0.001","13.5947","0.0015","16.6268","0.0017","90","","102.27","0.003","90","","2056.4","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-ethanebis(thioic S-acid)ato]-bis{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-di-iron diperchlorate","","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C76 H72 Cl4 Fe4 N16 O20 S4 -","2","0.5","","KANETOMO, Takuya; Yokoyama, Koki; Suzuki, Yudai; Ida, Hiromichi; Okazawa, Atsushi; Enomoto, Masaya","Investigation for Unique Magnetic Behaviours of Isomers in 1,2-Dithiooxalato-Bridged Diiron(II) Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01992F","","","0.71073","MoKα","","0.0825","0.0658","","","0.1373","0.1436","","","","","","1.103","","","","has coordinates","285632","2023-08-11","22:56:01",""
"7713729","9.5293","0.0015","13.955","0.002","17.003","0.003","90","","104.716","0.004","90","","2186.9","0.6","400","","400","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-ethanebis(thioic S-acid)ato]-bis{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-di-iron diperchlorate","","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C76 H72 Cl4 Fe4 N16 O20 S4 -","2","0.5","","KANETOMO, Takuya; Yokoyama, Koki; Suzuki, Yudai; Ida, Hiromichi; Okazawa, Atsushi; Enomoto, Masaya","Investigation for Unique Magnetic Behaviours of Isomers in 1,2-Dithiooxalato-Bridged Diiron(II) Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01992F","","","0.71073","MoKα","","0.0826","0.0566","","","0.149","0.1647","","","","","","1.051","","","","has coordinates","285632","2023-08-11","22:56:01",""
"7713730","9.272","0.0018","13.6","0.003","16.515","0.003","90","","101.876","0.006","90","","2038","0.7","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-ethanebis(thioic S-acid)ato]-bis{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-di-iron diperchlorate","","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C76 H72 Cl4 Fe4 N16 O20 S4 -","2","0.5","","KANETOMO, Takuya; Yokoyama, Koki; Suzuki, Yudai; Ida, Hiromichi; Okazawa, Atsushi; Enomoto, Masaya","Investigation for Unique Magnetic Behaviours of Isomers in 1,2-Dithiooxalato-Bridged Diiron(II) Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01992F","","","0.71073","MoKα","","0.0836","0.0563","","","0.1278","0.1409","","","","","","1.042","","","","has coordinates","285632","2023-08-11","22:56:01",""
"7713731","9.4258","0.0009","13.809","0.0015","16.7478","0.0016","90","","104.095","0.003","90","","2114.3","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-ethanebis(thioic S-acid)ato]-bis{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-di-iron diperchlorate","","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C76 H72 Cl4 Fe4 N16 O20 S4 -","2","0.5","","KANETOMO, Takuya; Yokoyama, Koki; Suzuki, Yudai; Ida, Hiromichi; Okazawa, Atsushi; Enomoto, Masaya","Investigation for Unique Magnetic Behaviours of Isomers in 1,2-Dithiooxalato-Bridged Diiron(II) Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01992F","","","0.71073","MoKα","","0.0804","0.0523","","","0.1287","0.14","","","","","","1.056","","","","has coordinates","285632","2023-08-11","22:56:02",""
"7713732","9.4639","0.0006","13.8477","0.001","16.888","0.0011","90","","104.177","0.002","90","","2145.8","0.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-ethanebis(thioic S-acid)ato]-bis{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-di-iron diperchlorate","","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C38 H36 Cl2 Fe2 N8 O10 S2 -","- C76 H72 Cl4 Fe4 N16 O20 S4 -","2","0.5","","KANETOMO, Takuya; Yokoyama, Koki; Suzuki, Yudai; Ida, Hiromichi; Okazawa, Atsushi; Enomoto, Masaya","Investigation for Unique Magnetic Behaviours of Isomers in 1,2-Dithiooxalato-Bridged Diiron(II) Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01992F","","","0.71073","MoKα","","0.063","0.0506","","","0.1252","0.1313","","","","","","1.081","","","","has coordinates","285632","2023-08-11","22:56:02",""
"7713733","10.2143","0.0002","11.589","0.0003","14.0639","0.0004","67.399","0.001","82.544","0.001","78.428","0.001","1503.15","0.07","172.9","","172.9","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Dy N3 O11 -","- C33 H28 Dy N3 O11 -","- C66 H56 Dy2 N6 O22 -","2","1","","Dong, Xiang Tao; Yu, Meng-Qing; Peng, Yong-Bo; Zhou, Guoxing; Peng, Guo; Ren, Xiaoming","Single molecule magnet feature in luminescent lanthanide coordination polymers with heptacoordinate Dy/Yb(III) ions as nodes","Dalton Transactions","2023","","","","","10.1039/D3DT02106H","","","0.71073","MoKα","","0.0302","0.0243","","","0.0498","0.0536","","","","","","1.187","","","","has coordinates","285633","2023-08-11","22:56:35",""
"7713734","8.2589","0.0009","12.0063","0.0012","13.978","0.0015","94.689","0.002","101.6","0.002","95.591","0.002","1344","0.2","196","","196","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Dy N2 O9 -","- C31 H23 Dy N2 O9 -","- C62 H46 Dy2 N4 O18 -","2","1","","Dong, Xiang Tao; Yu, Meng-Qing; Peng, Yong-Bo; Zhou, Guoxing; Peng, Guo; Ren, Xiaoming","Single molecule magnet feature in luminescent lanthanide coordination polymers with heptacoordinate Dy/Yb(III) ions as nodes","Dalton Transactions","2023","","","","","10.1039/D3DT02106H","","","0.71073","MoKα","","0.0502","0.0371","","","0.0763","0.0825","","","","","","1.032","","","","has coordinates,has disorder","285633","2023-08-11","22:56:36",""
"7713735","8.822","0.004","9.267","0.004","9.384","0.004","94.197","0.014","108.76","0.013","116.565","0.012","628","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Co2 N16 O16 -","- C10 H20 Co2 N16 O16 -","- C10 H20 Co2 N16 O16 -","1","0.5","","Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas","Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole","Dalton Transactions","2023","","","","","10.1039/D3DT02410E","","","0.71073","MoKα","","0.0754","0.0567","","","0.1458","0.1597","","","","","","1.047","","","","has coordinates","285634","2023-08-11","22:57:54",""
"7713736","8.841","0.003","13.32","0.005","10.831","0.004","90","","99.819","0.009","90","","1256.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N8 O8 Zn -","- C5 H10 N8 O8 Zn -","- C20 H40 N32 O32 Zn4 -","4","1","","Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas","Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole","Dalton Transactions","2023","","","","","10.1039/D3DT02410E","","","0.71073","MoKα","","0.0521","0.0373","","","0.0839","0.092","","","","","","1.06","","","","has coordinates","285634","2023-08-11","22:57:55",""
"7713737","11.507","0.004","12.98","0.005","14.249","0.005","72.344","0.011","75.743","0.012","71.317","0.01","1894.7","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Co2 N16 O14 -","- C10 H16 Co2 N16 O14 -","- C20 H32 Co4 N32 O28 -","2","1","","Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas","Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole","Dalton Transactions","2023","","","","","10.1039/D3DT02410E","","","0.71073","MoKα","","0.1198","0.091","","","0.2701","0.2982","","","","","","1.047","","","","has coordinates","285634","2023-08-11","22:57:55",""
"7713738","11.6407","0.0007","12.0947","0.0007","15.6754","0.0009","68.215","0.002","87.615","0.002","85.471","0.002","2042.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H22 N10 Ni O9 -","- C11 H22 N10 Ni O9 -","- C44 H88 N40 Ni4 O36 -","4","2","","Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas","Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole","Dalton Transactions","2023","","","","","10.1039/D3DT02410E","","","0.71073","MoKα","","0.0818","0.0593","","","0.1441","0.1586","","","","","","1.047","","","","has coordinates","285634","2023-08-11","22:57:55",""
"7713739","11.7885","0.0004","12.0697","0.0004","15.7929","0.0006","68.265","0.001","87.17","0.001","84.806","0.001","2078.44","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 N20 O18 Zn2 -","- C22 H44 N20 O18 Zn2 -","- C44 H88 N40 O36 Zn4 -","2","1","","Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas","Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole","Dalton Transactions","2023","","","","","10.1039/D3DT02410E","","","0.71073","MoKα","","0.0557","0.045","","","0.1165","0.1253","","","","","","1.051","","","","has coordinates","285634","2023-08-11","22:57:55",""
"7713740","9.187","0.002","10.547","0.003","13.348","0.003","90","","109.443","0.007","90","","1219.6","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N16 Ni2 O16 -","- C10 H20 N16 Ni2 O16 -","- C20 H40 N32 Ni4 O32 -","2","0.5","","Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas","Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole","Dalton Transactions","2023","","","","","10.1039/D3DT02410E","","x-ray","0.71073","MoKα","","0.047","0.0429","","","0.1196","0.1222","","","","","","1.0707","","","","has coordinates","285634","2023-08-11","22:57:55",""
"7713741","10.118","0.0016","10.1354","0.0016","32.245","0.005","95.629","0.002","91.856","0.002","116.888","0.002","2924","0.8","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H42 Cd3 N3 O27 -","- C63 H42 Cd3 N3 O27 -","- C126 H84 Cd6 N6 O54 -","2","1","","Zhang, Shi; Zhang, Kai; Du, Shengliang; Chen, Shufan; Zhang, Qingfu; Shi, Xinyu; Meng, Qinghua; Gai, Yanli; Xiong, Kecai","A viologen-based Cd(II) coordination polymer as a multifunctional platform for photochromism, chemochromism and broad-range fluorescent pH sensing","Dalton Transactions","2023","","","","","10.1039/D3DT00963G","","","0.71073","MoKα","","0.0604","0.0523","","","0.1273","0.1313","","","","","","1.0671","","","","has coordinates,has disorder","285642","2023-08-12","22:45:33",""
"7713742","14.4083","0.0004","24.9105","0.0008","17.3957","0.0006","90","","100.231","0.003","90","","6144.4","0.3","100","0.1","100","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C59 H48 B2 Cl2 Cu2 F8 N2 P4 Se4 -","- C59 H48 B2 Cl2 Cu2 F8 N2 P4 Se4 -","- C236 H192 B8 Cl8 Cu8 F32 N8 P16 Se16 -","4","1","","Das, Bhagyashree Ms; Sahoo, Amiya Kumar; Banjare, Shyam Kumar; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","Dicationic Copper(I) Complexes Bearing ENE (E = S, Se) Pincer Ligands; Catalytic Applications in Regioselective Cyclization of 1,6-diynes","Dalton Transactions","2023","","","","","10.1039/D3DT01989F","","x-ray","0.71073","MoKα","","0.0776","0.0485","","","0.0935","0.1019","","","","","","1.008","","","","has coordinates,has disorder","285643","2023-08-12","22:46:11",""
"7713743","26.632","0.0008","13.0574","0.0004","17.0639","0.0004","90","","95.917","0.002","90","","5902.3","0.3","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46.68 B2 Cu2 F8 N2 O0.34 P4 S4 -","- C58 H46.68 B2 Cu2 F8 N2 O0.34 P4 S4 -","- C232 H186.72 B8 Cu8 F32 N8 O1.36 P16 S16 -","4","1","","Das, Bhagyashree Ms; Sahoo, Amiya Kumar; Banjare, Shyam Kumar; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","Dicationic Copper(I) Complexes Bearing ENE (E = S, Se) Pincer Ligands; Catalytic Applications in Regioselective Cyclization of 1,6-diynes","Dalton Transactions","2023","","","","","10.1039/D3DT01989F","","x-ray","0.71073","MoKα","","0.0789","0.0536","","","0.1265","0.1393","","","","","","1.036","","","","has coordinates,has disorder","285643","2023-08-12","22:46:11",""
"7713744","7.694","0.005","13.188","0.005","18.365","0.005","90","","96.099","0.005","90","","1852.9","1.5","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex1","Co4","","- C28 H46 Cl2 Co4 N4 O14 -","- C28 H46 Cl2 Co4 N4 O14 -","- C56 H92 Cl4 Co8 N8 O28 -","2","0.5","","Kant, Shashi; Saha, Sayan; Lloret, Francesc; Cano, Joan; Mukherjee, Rabindranath","A tetracobalt(II) cluster with a two vertex truncated dicubane topology endogenously supported by carboxylate-based (2-pyridyl)methylamine ligands: magneto-structural and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01131c","","x-ray","0.71069","MoKα","","0.0546","0.0404","","","0.0975","0.1075","","","","","","1.037","","","","has coordinates","285647","2023-08-14","22:46:55",""
"7713745","24.0035","0.0007","11.2516","0.0005","6.9622","0.0002","90","","95.678","0.002","90","","1871.11","0.11","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","HIAM-3007","","- C16 H8 N6 Se Zn -","- C16 H8 N6 Se Zn -","- C64 H32 N24 Se4 Zn4 -","4","1","","Xia, Hai-Lun; Zhou, Kang; Wang, Lei; Zhang, Jian; Liu, Xiao-Yuan","Linker Engineering Toward Near-Infrared-I Emissive Metal-Organic Frameworks for Amines Detection","Dalton Transactions","2023","","","","","10.1039/D3DT02134C","","","1.54178","CuKα","","0.055","0.0478","","","0.1204","0.1252","","","","","","1.028","","","","has coordinates,has disorder","285777","2023-08-15","22:53:08",""
"7713746","19.4205","0.0009","20.0866","0.0011","34.3463","0.0017","93.235","0.002","92.907","0.002","108.862","0.002","12624.8","1.1","99.91","","99.91","","","","","","","","","9","P -1","-P 1","2","","[(pzTp)Fe(CN)3Co(TpEtOAn)]4[OTf]4.8MeCN.7Et2O","","- C212 H230 B4 Co4 F12 Fe4 N76 O23 S4 -","- C176 H152 B4 Co4 F12 Fe4 N70 O17 S4 -","- C352 H304 B8 Co8 F24 Fe8 N140 O34 S8 -","2","1","","Liu, Qi; Cheng, Yue; Liu, Shihao; Chen, Zi-Yi; Zhang, Yuan-Zhu","Anthryl-Functionalized Cyanide-Bridged Fe/Co Cubes","Dalton Transactions","2023","","","","","10.1039/D3DT01630G","","","0.71073","MoKα","","0.1501","0.0944","","","0.2522","0.3098","","","","","","1.033","","","","has coordinates,has disorder","285778","2023-08-15","22:54:10",""
"7713747","18.6217","0.0008","20.0661","0.0007","36.4748","0.0014","96.081","0.001","91.57","0.001","100.796","0.001","13297.2","0.9","110","2","109.89","","","","","","","","","9","P -1","-P 1","2","","[NEt4]3[(pzTp)Fe(CN)3Co(TpEtOAn)]4[OTf]7.5MeCN.2Et2O","","- C213 H221 B4 Co4 F21 Fe4 N76 O27 S7 -","- C207 H208 B4 Co4 F21 Fe4 N75 O26 S7 -","- C414 H416 B8 Co8 F42 Fe8 N150 O52 S14 -","2","1","","Liu, Qi; Cheng, Yue; Liu, Shihao; Chen, Zi-Yi; Zhang, Yuan-Zhu","Anthryl-Functionalized Cyanide-Bridged Fe/Co Cubes","Dalton Transactions","2023","","","","","10.1039/D3DT01630G","","","0.71073","MoKα","","0.1255","0.0907","","","0.2513","0.295","","","","","","1.025","","","","has coordinates,has disorder","285778","2023-08-15","22:54:11",""
"7713748","23.441","0.01","13.85","0.003","34.65","0.01","90","","90.12","0.02","90","","11249","6","297","","297","","","","","","","","Chemical synthesis","6","I 1 2/c 1","-I 2yc","15","","msk50","","- C54 H34 Eu F9 N2 O6 -","- C54 H34 Eu F9 N2 O6 -","- C432 H272 Eu8 F72 N16 O48 -","8","1","","Ilmi, Rashid; Li, Xiaofang; Al Rasbi, Nawal K.; Zhou, Liang; Wong, Wai-Yeung Raymond; Raithby, Paul R.; Khan, Muhammad S.","Two new red emitting ternary europium(III) complexes with high photoluminescence quantum yields and exceptional performance in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT02147E","","","0.71073","MoKα","","0.1667","0.0598","","","0.1359","0.1764","","","","","","0.981","","","","has coordinates,has disorder","285779","2023-08-15","22:55:11",""
"7713749","11.7197","0.0008","12.5847","0.0008","16.6523","0.001","101.829","0.006","96.03","0.005","97.639","0.006","2360.3","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","compound (5) in manuscript","","","- C48.5 H69 Cl N6 Ni O7 -","- C48 H68 N6 Ni O7 -","- C96 H136 N12 Ni2 O14 -","2","1","","Ralph, Stephen; Assadawi, Nawal; Richardson, Christopher","G-quadruplex DNA binding properties of novel nickel Schiff base complexes with four pendant groups","Dalton Transactions","2023","","","","","10.1039/D3DT02040A","","x-ray","0.71073","MoKα","","0.0681","0.0437","","","0.099","0.1076","","","","","","1.058","","","","has coordinates,has disorder","285795","2023-08-16","22:57:02",""
"7713750","30.6127","0.0005","15.8401","0.0003","9.8494","0.0002","90","","96.209","0.002","90","","4748.04","0.15","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","compound (9) in manuscript","","","- C44 H61.2 N6 Ni O11.6 -","- C44 H61.2 N6 Ni O11.6 -","- C176 H244.8 N24 Ni4 O46.4 -","4","0.5","","Ralph, Stephen; Assadawi, Nawal; Richardson, Christopher","G-quadruplex DNA binding properties of novel nickel Schiff base complexes with four pendant groups","Dalton Transactions","2023","","","","","10.1039/D3DT02040A","","x-ray","0.71073","MoKα","","0.0392","0.0308","","","0.0789","0.0821","","","","","","1.035","","","","has coordinates","285795","2023-08-16","22:57:03",""
"7713751","21.7849","0.0004","15.7021","0.0004","10.5287","0.0003","90","","112.132","0.0011","90","","3336.18","0.14","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C26 H30 Br4 Mn N2 O5 S3 -","- C26 H30 Br4 Mn N2 O5 S3 -","- C104 H120 Br16 Mn4 N8 O20 S12 -","4","1","","Mudarmah, Khalil; Bagale, Bijaya; Chen, Guanyu; Krause, Jeanette; Mighion, Jeffrey D.; Huang, Songping D.","Harnessing the Dual Antimicrobial Mode of Action with a Lipophilic Mn(II) Complex Using the Principle of the Irving-Williams Series to Completely Eradicate Staphylococcus aureus","Dalton Transactions","2023","","","","","10.1039/D3DT01904G","","","0.71073","MoKα","","0.0294","0.0237","","","0.0488","0.05","","","","","","0.982","","","","has coordinates","285796","2023-08-16","22:57:32",""
"7713752","26.0632","0.0007","10.5691","0.0002","21.3067","0.0006","90","","96.182","0.002","90","","5835.1","0.3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H33 B2 Fe N7 O2.5 -","- C28.5 H33 B2 Fe N7 O2.5 -","- C228 H264 B16 Fe8 N56 O20 -","8","1","","Sundaresan, Sriram; Becker, Jens-Georg; Eppelsheimer, Julian; Sedykh, Alexander E.; Carrella, Luca; Müller-Buschbaum, Klaus; Rentschler, Eva","Synergetic Spin Singlet-Quintet Switching and Luminescence in mononuclear Fe(II) 1,3,4-Oxadiazole Tetradentate Chelates with NCBH3 Co-ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02420B","","x-ray","0.71073","MoKα","","0.0571","0.0442","","","0.1313","0.1366","","","","","","1.073","","","","has coordinates,has disorder","285797","2023-08-16","22:58:00",""
"7713753","26.7229","0.0007","10.9749","0.0002","21.129","0.0006","90","","95.813","0.002","90","","6164.9","0.3","220","","220.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H33 B2 Fe N7 O2.5 -","- C28.5 H33 B2 Fe N7 O2.5 -","- C228 H264 B16 Fe8 N56 O20 -","8","1","","Sundaresan, Sriram; Becker, Jens-Georg; Eppelsheimer, Julian; Sedykh, Alexander E.; Carrella, Luca; Müller-Buschbaum, Klaus; Rentschler, Eva","Synergetic Spin Singlet-Quintet Switching and Luminescence in mononuclear Fe(II) 1,3,4-Oxadiazole Tetradentate Chelates with NCBH3 Co-ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02420B","","","0.71073","MoKα","","0.0638","0.0454","","","0.1344","0.1433","","","","","","0.942","","","","has coordinates,has disorder","285797","2023-08-16","22:58:00",""
"7713754","7.1916","0.0003","18.8411","0.0007","6.4145","0.0003","90","","107.144","0.005","90","","830.53","0.06","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Sunkari, Sailaja S.; Verma, Abhineet; Pandey, Om; Gupta, Shraddha; Wakizaka, Masanori; Takaishi, Shinya; Kawasoko, Hideyuki; Fukumura, Tomoteru; Yamashita, Masahiro","Slow Magnetic Relaxation in a Ferromagnetic CuII Chain Complex, Induced by Phonon Bottleneck Effect","Dalton Transactions","2023","","","","","10.1039/D3DT02244G","","x-ray","0.71073","MoKα","","0.033","0.0309","","","0.0771","0.0778","","","","","","1.106","","","","has coordinates","285815","2023-08-18","22:50:33",""
"7713755","11.2274","0.0005","24.983","0.002","21.397","0.0014","90","","94.992","0.006","90","","5979","0.7","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H55 Cl N5 O2 P2 Ru -","- C63 H55 Cl N5 O2 P2 Ru -","- C252 H220 Cl4 N20 O8 P8 Ru4 -","4","1","","Chen, Yinyin; Cui, Tianhua; Chen, Hua; Li Zheng, Xue; Fu, Haiyan; Li, Ruixiang","Pyrazole-pyridine-pyrazole (NNN) ruthenium(II) complex catalyzed acceptorless dehydrogenation of alcohols to aldehydes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01430d","","","0.71073","MoKα","","0.1558","0.1322","","","0.2438","0.2571","","","","","","1.094","","","","has coordinates","285816","2023-08-18","22:51:31",""
"7713756","11.8398","0.0008","21.1962","0.0019","19.7092","0.0017","90","","94.851","0.003","90","","4928.5","0.7","138","2","138","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Cl2 N5 O2 P2 Ru -","- C49 H47 Cl2 N5 O2 P2 Ru -","- C196 H188 Cl8 N20 O8 P8 Ru4 -","4","1","","Chen, Yinyin; Cui, Tianhua; Chen, Hua; Li Zheng, Xue; Fu, Haiyan; Li, Ruixiang","Pyrazole-pyridine-pyrazole (NNN) ruthenium(II) complex catalyzed acceptorless dehydrogenation of alcohols to aldehydes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01430d","","","0.71073","MoKα","","0.0682","0.061","","","0.193","0.2014","","","","","","1.045","","","","has coordinates","285816","2023-08-18","22:51:31",""
"7713757","11.5849","0.0007","13.4625","0.001","22.7608","0.0016","103.721","0.003","95.44","0.002","101.016","0.002","3348.2","0.4","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C69 H63 Cl5 F6 N5 O P2 Ru -","- C69 H63 Cl5 F6 N5 O P2 Ru -","- C138 H126 Cl10 F12 N10 O2 P4 Ru2 -","2","1","","Chen, Yinyin; Cui, Tianhua; Chen, Hua; Li Zheng, Xue; Fu, Haiyan; Li, Ruixiang","Pyrazole-pyridine-pyrazole (NNN) ruthenium(II) complex catalyzed acceptorless dehydrogenation of alcohols to aldehydes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01430d","","","0.71073","MoKα","","0.0544","0.0469","","","0.1206","0.1263","","","","","","1.042","","","","has coordinates,has disorder","285816","2023-08-18","22:51:31",""
"7713758","7.157","0.0005","8.2856","0.0009","11.4588","0.0012","72.981","0.009","82.041","0.007","88.474","0.007","643.42","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Al B6 Cs H3 K O13 -","- Al B6 Cs H3 K O13 -","- Al2 B12 Cs2 H6 K2 O26 -","2","1","","Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu","Three new aluminoborates: From 1D tube to 3D framework","Dalton Transactions","2023","","","","","10.1039/D3DT02374E","","","0.71073","MoKα","","0.0413","0.0318","","","0.0719","0.0778","","","","","","1.012","","","","has coordinates","285825","2023-08-21","22:49:43",""
"7713759","12.2648","0.0009","15.2916","0.0012","9.99","0.0008","90","","90","","90","","1873.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Al4 B14 Cs6 H4 O32 -","- Al4 B14 Cs6 H4 O32 -","- Al8 B28 Cs12 H8 O64 -","2","0.25","","Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu","Three new aluminoborates: From 1D tube to 3D framework","Dalton Transactions","2023","","","","","10.1039/D3DT02374E","","","0.71073","MoKα","","0.0384","0.0333","","","0.096","0.1005","","","","","","1.026","","","","has coordinates","285825","2023-08-21","22:49:43",""
"7713760","12.0255","0.0008","14.8843","0.0011","9.927","0.0006","90","","90","","90","","1776.8","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- Al4 B14 Cs4 H4 K2 O32 -","- Al4 B14 Cs4 H4 K2 O32 -","- Al8 B28 Cs8 H8 K4 O64 -","2","0.25","","Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu","Three new aluminoborates: From 1D tube to 3D framework","Dalton Transactions","2023","","","","","10.1039/D3DT02374E","","","0.71073","MoKα","","0.042","0.0356","","","0.1096","0.115","","","","","","1.117","","","","has coordinates","285825","2023-08-21","22:49:43",""
"7713761","13.3845","0.0009","36.264","0.003","13.5902","0.0009","90","","114.576","0.002","90","","5998.8","0.8","296.15","","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H42 Cl6 F6 Ir N4 O2 P S2 -","- C55 H42 Cl6 F6 Ir N4 O2 P S2 -","- C220 H168 Cl24 F24 Ir4 N16 O8 P4 S8 -","4","1","","Tu, Rui; Liu, Jie; Chen, Weibin; Fu, Fengfu; Li, Mei-Jin","Two near-infrared phosphorescent iridium(III) complexes for detection of GSH and photodynamic therapy","Dalton Transactions","2023","","","","","10.1039/D3DT01826A","","","0.71073","MoKα","","0.0946","0.0713","","","0.1711","0.1862","","","","","","1.134","","","","has coordinates,has disorder","285837","2023-08-22","22:55:36",""
"7713762","9.7951","0.0014","9.4102","0.0013","22.736","0.003","90","","96.096","0.005","90","","2083.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 B F4 N4 Ni -","- C21 H25 B F4 N4 Ni -","- C84 H100 B4 F16 N16 Ni4 -","4","1","","Juthathan, Methasit; Chantarojsiri, Teera; Chainok, Kittipong; Butburee, Teera; Thamyongkit, Patchanita; Tuntulani, Thawatchai; Leeladee, Pannee","Molecularly dispersed nickel complexes on N-doped graphene for electrochemical CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2023","52","33","11407","11418","10.1039/d3dt00878a","","x-ray","0.71073","MoKα","K-L~3~","0.0855","0.0645","","","0.1461","0.1557","","","","","","1.163","","","","has coordinates,has disorder","285838","2023-08-22","22:56:01",""
"7713763","16.1134","0.0016","15.6367","0.0011","18.9562","0.0017","90","","106.944","0.004","90","","4568.9","0.7","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Mo5 N3 O32.5 Sr2 -","- C27 H40 Mo5 N3 O32.5 Sr2 -","- C108 H160 Mo20 N12 O130 Sr8 -","4","1","","Cao, Meng; Zi, Jie; Sang, Rui-Li; Xu, Li","Metal-metal bonded pentamolybdate hybrids as electron storage material","Dalton Transactions","2023","","","","","10.1039/D3DT02068A","","","0.71073","MoKα","","0.0464","0.0375","","","0.0954","0.1014","","","","","","1.028","","","","has coordinates","285839","2023-08-22","22:56:37",""
"7713764","10.6907","0.0006","15.542","0.0011","17.3408","0.0011","67.74","0.002","79.773","0.002","80.703","0.003","2610.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Mo5 N6 O29 Sr -","- C36 H54 Mo5 N6 O29 Sr -","- C72 H108 Mo10 N12 O58 Sr2 -","2","1","","Cao, Meng; Zi, Jie; Sang, Rui-Li; Xu, Li","Metal-metal bonded pentamolybdate hybrids as electron storage material","Dalton Transactions","2023","","","","","10.1039/D3DT02068A","","","0.71073","MoKα","","0.0496","0.0409","","","0.104","0.1103","","","","","","0.997","","","","has coordinates","285839","2023-08-22","22:56:38",""
"7713765","13.1002","0.0015","14.9056","0.0016","18.441","0.002","90","","93.31","0.004","90","","3594.9","0.7","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B2 Cl4 O4 Ti -","- C10 H20 B2 Cl4 O4 Ti -","- C80 H160 B16 Cl32 O32 Ti8 -","8","2","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.0732","0.055","","","0.1427","0.1548","","","","","","1.071","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713766","6.553","0.002","14.886","0.005","18.47","0.007","90","","93.581","0.01","90","","1798.2","1.1","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B2 Cl4 Mo O4 -","- C10 H20 B2 Cl4 Mo O4 -","- C40 H80 B8 Cl16 Mo4 O16 -","4","1","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.18","0.1232","","","0.302","0.3458","","","","","","1.045","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713767","15.394","0.006","6.4687","0.0019","19.388","0.007","90","","111.043","0.007","90","","1801.9","1.1","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B2 Cl4 Nb O4 -","- C10 H20 B2 Cl4 Nb O4 -","- C40 H80 B8 Cl16 Nb4 O16 -","4","1","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.1442","0.0606","","","0.1065","0.1315","","","","","","0.985","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713768","14.112","0.003","10.1415","0.0018","15.181","0.003","90","","109.99","0.004","90","","2041.8","0.7","113","","113","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 B2 Cl4 O4 Zr -","- C12 H24 B2 Cl4 O4 Zr -","- C48 H96 B8 Cl16 O16 Zr4 -","4","2","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.0854","0.0577","","","0.1233","0.1372","","","","","","1.043","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713769","13.27","0.002","15.036","0.002","18.597","0.003","90","","94.265","0.004","90","","3700.3","1","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B2 Cl4 O4 Zr -","- C10 H20 B2 Cl4 O4 Zr -","- C80 H160 B16 Cl32 O32 Zr8 -","8","2","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.054","0.0317","","","0.0691","0.0757","","","","","","0.982","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713770","13.978","0.002","10.0266","0.0013","14.979","0.002","90","","110.049","0.003","90","","1972.1","0.5","113","","113","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 B2 Cl4 O4 Ti -","- C12 H24 B2 Cl4 O4 Ti -","- C48 H96 B8 Cl16 O16 Ti4 -","4","2","","Hosoya, Hiromu; Akiyama, Takuya; Mashima, Kazushi; Tsurugi, Hayato","Bis(neopentylglycolato)diboron (B2nep2) as a Bidentate Ligand and a Reducing Agent for Early Transition Metal Chlorides Giving MCl4(B2nep2) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01828H","","","0.71075","MoKα","","0.101","0.0966","","","0.2115","0.2156","","","","","","1.098","","","","has coordinates","285840","2023-08-22","22:58:03",""
"7713771","39.015","0.004","39.015","0.004","13.9911","0.0013","90","","90","","120","","18444","3","149.8","0.4","149.8","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C85.08 H101.63 Mo6 N13.36 O34.36 -","- C84.6 H99.12 Mo6 N13.2 O34.2 -","- C507.6 H594.72 Mo36 N79.2 O205.2 -","6","0.333333","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","1.54184","CuKα","","0.1744","0.1145","","","0.2869","0.3268","","","","","","1.035","","","","has coordinates,has disorder","285841","2023-08-22","23:00:51",""
"7713772","19.0877","0.0007","18.2843","0.0006","26.748","0.0007","90","","108.715","0.003","90","","8841.6","0.5","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C133.21 H157.62 Mo12 N32.49 O62.98 -","- C133.23 H157.62 Mo12 N32.5 O62.98 -","- C266.46 H315.24 Mo24 N65 O125.96 -","2","0.5","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","0.71073","MoKα","","0.1136","0.081","","","0.2114","0.2415","","","","","","1.047","","","","has coordinates,has disorder","285841","2023-08-22","23:00:52",""
"7713773","21.5269","0.0011","14.7675","0.0007","32.448","0.002","90","","101.313","0.005","90","","10114.7","1","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H164 Mo12 N20 O62 -","- C144 H164 Mo12 N20 O62 -","- C288 H328 Mo24 N40 O124 -","2","0.5","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","0.71073","MoKα","","0.1613","0.1309","","","0.3314","0.36","","","","","","1.023","","","","has coordinates,has disorder","285841","2023-08-22","23:00:52",""
"7713774","14.5261","0.0007","18.4437","0.001","20.6426","0.0009","78.085","0.004","69.613","0.004","81.101","0.004","5051.7","0.5","119.9","0.2","119.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C162 H189.79 Mo12 N26 O68 -","- C162 H189.908 Mo12 N26 O68 -","- C162 H189.908 Mo12 N26 O68 -","1","0.5","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","0.71073","MoKα","","0.146","0.0735","","","0.1306","0.1663","","","","","","0.982","","","","has coordinates,has disorder","285841","2023-08-22","23:00:52",""
"7713775","19.3279","0.0004","19.6862","0.0003","27.281","0.001","90","","109.113","0.003","90","","9808","0.5","119.6","0.7","119.6","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128.51 H154.52 Cl13.02 Mo12 N28 O62 -","- C128.51 H154.516 Cl13.02 Mo12 N28 O62 -","- C257.02 H309.032 Cl26.04 Mo24 N56 O124 -","2","0.5","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","0.71073","MoKα","","0.1231","0.0871","","","0.2255","0.2524","","","","","","1.062","","","","has coordinates,has disorder","285841","2023-08-22","23:00:52",""
"7713776","19.7115","0.0003","20.0909","0.0002","27.218","0.0004","90","","110.345","0.002","90","","10106.5","0.3","119.9","0.2","119.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143.29 H196.96 Mo12 N35.56 O74.36 -","- C143.272 H196.908 Mo12 N35.552 O74.342 -","- C286.544 H393.816 Mo24 N71.104 O148.684 -","2","0.5","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","0.71073","MoKα","","0.1134","0.0664","","","0.1711","0.205","","","","","","1.039","","","","has coordinates,has disorder","285841","2023-08-22","23:00:52",""
"7713777","19.2467","0.0013","19.8669","0.0013","19.9079","0.0011","109.122","0.005","104.775","0.005","109.834","0.006","6164.7","0.9","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C174 H237.05 Mo12 N34 O76 -","- C174 H237.038 Mo12 N34 O76 -","- C174 H237.038 Mo12 N34 O76 -","1","0.5","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","0.71073","MoKα","","0.1858","0.0822","","","0.2081","0.2613","","","","","","0.97","","","","has coordinates,has disorder","285841","2023-08-22","23:00:52",""
"7713778","10.673","0.0001","11.4988","0.0002","12.9614","0.0002","73.8612","0.001","85.843","0.001","87.8508","0.001","1523.75","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 Br N3 -","- C19 H14 Br N3 -","- C76 H56 Br4 N12 -","4","2","","Paschelke, Tobias; Trumpf, Eicke; Grantz, David; Pankau, Malte; Grocholski, Niclas; Näther, Christian; Sönnichsen, Frank D; McConnell, Anna J.","Tuning the spin-crossover properties of FeII4L<sub>6</sub> cages <i>via</i> the interplay of coordination motif and linker modifications.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01569f","","x-ray","1.54184","CuKα","","0.0278","0.0274","","","0.0761","0.0764","","","","","","1.098","","","","has coordinates","285865","2023-08-24","22:57:36",""
"7713779","38.3429","0.0005","18.0379","0.0004","37.1508","0.0006","90","","90","","90","","25694.4","0.8","100","0.11","100","0.11","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C200 H144 F24 Fe4 N36 O24 S8 -","- C192 H144 Fe4 N36 -","- C768 H576 Fe16 N144 -","4","1","","Paschelke, Tobias; Trumpf, Eicke; Grantz, David; Pankau, Malte; Grocholski, Niclas; Näther, Christian; Sönnichsen, Frank D; McConnell, Anna J.","Tuning the spin-crossover properties of FeII4L<sub>6</sub> cages <i>via</i> the interplay of coordination motif and linker modifications.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01569f","","x-ray","1.54184","CuKα","","0.163","0.1165","","","0.3123","0.3504","","","","","","1.185","","","","has coordinates","285865","2023-08-24","22:57:36",""
"7713780","67.4664","0.0011","17.1648","0.0004","32.7981","0.0002","90","","90","","90","","37981.7","1.1","100","0.11","100","0.11","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C162 H120 F24 Fe4 N36 O24 S8 -","- C162 H120 F18 Fe4 N36 O18 S6 -","- C1296 H960 F144 Fe32 N288 O144 S48 -","8","1","","Paschelke, Tobias; Trumpf, Eicke; Grantz, David; Pankau, Malte; Grocholski, Niclas; Näther, Christian; Sönnichsen, Frank D; McConnell, Anna J.","Tuning the spin-crossover properties of FeII4L<sub>6</sub> cages <i>via</i> the interplay of coordination motif and linker modifications.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01569f","","x-ray","1.54184","CuKα","","0.179","0.1603","","","0.4349","0.4511","","","","","","1.807","","","","has coordinates","285865","2023-08-24","22:57:37",""
"7713781","9.4757","0.0002","25.3042","0.0006","18.1856","0.0005","90","","92.965","0.001","90","","4354.62","0.18","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Co2 N2 O8 P2 -","- C45 H46 Co2 N2 O8 P2 -","- C180 H184 Co8 N8 O32 P8 -","4","1","","Luque-Gómez, Ana; García-Orduña, Pilar; Lahoz, Fernando J.; Iglesias, Manuel","Synthesis and catalytic activity of well-defined Co(I) complexes based on NHC-phosphane pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00463e","","","0.71073","MoKα","","0.0431","0.0361","","","0.0912","0.0954","","","","","","1.049","","","","has coordinates","285866","2023-08-24","22:58:18",""
"7713782","10.3781","0.0009","10.4833","0.0009","16.9677","0.0015","97.174","0.001","103.529","0.002","99.262","0.001","1745.8","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C32 H37 Cl F6 N2 Os P S Sb -","- C32 H37 Cl F6 N2 Os P S Sb -","- C64 H74 Cl2 F12 N4 Os2 P2 S2 Sb2 -","2","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0558","0.0371","","","0.0665","0.0706","","","","","","0.877","","","","has coordinates","285867","2023-08-24","23:00:38",""
"7713783","9.0862","0.001","21.214","0.002","18.269","0.002","90","","97.17","0.002","90","","3493.9","0.6","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 F6 N2 O P Ru S Sb -","- C32 H36 F6.004 N2 P Ru S Sb -","- C128 H144 F24.016 N8 P4 Ru4 S4 Sb4 -","4","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0826","0.0638","","","0.1469","0.1604","","","","","","1.037","","","","has coordinates,has disorder","285867","2023-08-24","23:00:39",""
"7713784","27.2956","0.0012","11.7168","0.0005","24.4621","0.0011","90","","92.768","0.002","90","","7814.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H89.89 Cl0.11 F12 N6 P2 Ru2 Sb2 -","- C78 H89.887 Cl0.113 F12.0047 N6 P2 Ru2 Sb2 -","- C312 H359.548 Cl0.452 F48.0188 N24 P8 Ru8 Sb8 -","4","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0326","0.0303","","","0.0672","0.0686","","","","","","1.116","","","","has coordinates,has disorder","285867","2023-08-24","23:00:39",""
"7713785","9.1041","0.0008","21.3312","0.0016","18.2996","0.0014","90","","96.865","0.001","90","","3528.3","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H42 F6 N2 Os P S Sb -","- C32 H36 F6 N2 Os P S Sb -","- C128 H144 F24 N8 Os4 P4 S4 Sb4 -","4","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.1245","0.0751","","","0.1425","0.1643","","","","","","1.041","","","","has coordinates,has disorder","285867","2023-08-24","23:00:39",""
"7713786","10.1759","0.0006","15.263","0.0008","15.4343","0.0008","86.735","0.001","80.247","0.001","81.259","0.001","2333.9","0.2","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C38.5 H62 Cl F12 N5 O Os P S Sb2 -","- C32 H38 F12 N2 O Os P S Sb2 -","- C64 H76 F24 N4 O2 Os2 P2 S2 Sb4 -","2","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0642","0.0503","","","0.0962","0.1013","","","","","","1.033","","","","has coordinates,has disorder","285867","2023-08-24","23:00:39",""
"7713787","10.3597","0.0005","16.0888","0.0008","21.7237","0.0011","85.291","0.001","80.132","0.001","87.928","0.001","3554.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H45 F6 N4 O Ru Sb -","- C31 H35 F6 N4 Ru Sb -","- C124 H140 F24 N16 Ru4 Sb4 -","4","2","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0429","0.0348","","","0.0803","0.0839","","","","","","1.033","","","","has coordinates,has disorder","285867","2023-08-24","23:00:40",""
"7713788","27.612","0.004","11.6966","0.0018","24.349","0.004","90","","94.223","0.004","90","","7843","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H89.55 Cl0.45 F12 N6 Os2 P2 Sb2 -","- C78 H89.547 Cl0.453 F12 N6 Os2 P2 Sb2 -","- C312 H358.188 Cl1.812 F48 N24 Os8 P8 Sb8 -","4","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","x-ray","0.71073","MoKα","","0.0344","0.0322","","","0.0732","0.0744","","","","","","1.154","","","","has coordinates,has disorder","285867","2023-08-24","23:00:40",""
"7713789","11.6436","0.0008","15.564","0.0011","21.8392","0.0015","90","","90","","90","","3957.7","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H49 F6 N4 O3 Ru Sb -","- C39 H49 F6 N4 O3 Ru Sb -","- C156 H196 F24 N16 O12 Ru4 Sb4 -","4","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0686","0.0411","","","0.0851","0.0983","","","","","","1.068","","","","has coordinates","285867","2023-08-24","23:00:40",""
"7713790","11.3734","0.0016","14.684","0.002","15.247","0.002","90","","108.415","0.002","90","","2416","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Cl2 Co N2 -","- C23 H32 Cl2 Co N2 -","- C92 H128 Cl8 Co4 N8 -","4","1","","Fu, Yuan; Tang, Jian; Hua, Jing","Ultrahigh Activity and Broad Temperature Resistance of Amine-Imine Cobalt Precatalysts for Butadiene Polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT02460A","","x-ray","0.71073","MoKα","","0.0976","0.0632","","","0.1185","0.1317","","","","","","1.095","","","","has coordinates","285868","2023-08-24","23:02:23",""
"7713791","8.271","0.004","19.167","0.009","21.451","0.01","90","","93.145","0.008","90","","3396","3","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl4 Co N2 -","- C30 H46 Cl4 Co N2 -","- C120 H184 Cl16 Co4 N8 -","4","1","","Fu, Yuan; Tang, Jian; Hua, Jing","Ultrahigh Activity and Broad Temperature Resistance of Amine-Imine Cobalt Precatalysts for Butadiene Polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT02460A","","x-ray","0.71073","MoKα","","0.0863","0.0602","","","0.1475","0.1644","","","","","","1.037","","","","has coordinates,has disorder","285868","2023-08-24","23:02:24",""
"7713792","14.7263","0.0008","17.7923","0.0012","9.6321","0.0006","90","","90","","90","","2523.8","0.3","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H36 Cl2 Co N2 -","- C25 H36 Cl2 Co N2 -","- C100 H144 Cl8 Co4 N8 -","4","0.5","","Fu, Yuan; Tang, Jian; Hua, Jing","Ultrahigh Activity and Broad Temperature Resistance of Amine-Imine Cobalt Precatalysts for Butadiene Polymerization","Dalton Transactions","2023","","","","","10.1039/D3DT02460A","","x-ray","0.71073","MoKα","","0.1283","0.1037","","","0.2471","0.2585","","","","","","1.097","","","","has coordinates,has disorder","285868","2023-08-24","23:02:24",""
"7713793","10.3721","0.0002","12.2081","0.0003","21.1481","0.0005","90","","90","","90","","2677.85","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl2 Cu N5 O10 -","- C21 H29 Cl2 Cu N5 O10 -","- C84 H116 Cl8 Cu4 N20 O40 -","4","1","","Du, Xiaodi; Gao, Cong-Li; Zhang, Zhiqiang; Su, Bing; Li, Xi-Li","A pair of ionic 1D Cu(II) chain enantiomers simultaneously displaying large second- and third-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01923C","","","0.71073","MoKα","","0.0824","0.0621","","","0.1527","0.1639","","","","","","1.096","","","","has coordinates","285880","2023-08-25","22:53:47",""
"7713794","10.4203","0.0003","12.3268","0.0003","21.0653","0.0006","90","","90","","90","","2705.82","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl2 Cu N5 O10 -","- C21 H29 Cl2 Cu N5 O10 -","- C84 H116 Cl8 Cu4 N20 O40 -","4","1","","Du, Xiaodi; Gao, Cong-Li; Zhang, Zhiqiang; Su, Bing; Li, Xi-Li","A pair of ionic 1D Cu(II) chain enantiomers simultaneously displaying large second- and third-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01923C","","","0.71073","MoKα","","0.082","0.0528","","","0.1113","0.1219","","","","","","0.996","","","","has coordinates","285880","2023-08-25","22:53:48",""
"7713795","10.1785","0.0003","61.583","0.003","18.5412","0.0009","90","","96.973","0.004","90","","11536.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H111 Ag3 Cl4 N9 O3 -","- C136 H111 Ag3 Cl4 N9 O3 -","- C544 H444 Ag12 Cl16 N36 O12 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.1689","0.0788","","","0.1092","0.1296","","","","","","1.013","","","","has coordinates","285895","2023-08-29","22:49:27",""
"7713796","18.3597","0.001","20.6053","0.001","10.1258","0.0006","90","","90","","90","","3830.7","0.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H36 Ag Cl N3 O2 S0 -","- C45 H36 Ag Cl N3 O2 -","- C180 H144 Ag4 Cl4 N12 O8 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.0672","0.0456","","","0.0896","0.0984","","","","","","1.046","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713797","12.7547","0.0014","14.6796","0.0014","13.0011","0.0014","90","","111.209","0.013","90","","2269.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H36 Cl2 N3 O2 Pd -","- C45 H36 Cl2 N3 O2 Pd -","- C90 H72 Cl4 N6 O4 Pd2 -","2","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.2005","0.0903","","","0.2009","0.2334","","","","","","1.027","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713798","12.6631","0.0005","14.5864","0.0005","12.9729","0.0005","90","","111.182","0.004","90","","2234.32","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H37 Cl2 N3 O Pd -","- C45 H37 Cl2 N3 O Pd -","- C90 H74 Cl4 N6 O2 Pd2 -","2","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.0519","0.0412","","","0.1059","0.1106","","","","","","1.045","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713799","12.6017","0.0003","14.4323","0.0003","12.8068","0.0004","90","","112.594","0.003","90","","2150.43","0.11","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C46 H37 Cl N3 O2 Rh -","- C46 H37 Cl N3 O2 Rh -","- C92 H74 Cl2 N6 O4 Rh2 -","2","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","1.54184","CuKα","","0.0452","0.0392","","","0.0978","0.0999","","","","","","1.073","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713800","10.9361","0.0001","14.8281","0.0002","16.8695","0.0002","90","","101.223","0.001","90","","2683.27","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H41 Cl12 N3 O Se -","- C49 H41 Cl12 N3 O Se -","- C98 H82 Cl24 N6 O2 Se2 -","2","1","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","1.54184","CuKα","","0.031","0.0295","","","0.0776","0.0786","","","","","","1.025","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713801","14.7029","0.0008","20.7207","0.0013","12.2192","0.0007","90","","107.685","0.006","90","","3546.7","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Eu N6 O9 -","- C27 H27 Eu N6 O9 -","- C108 H108 Eu4 N24 O36 -","4","1","","Xu, Chao; Liu, Tingting; Liu, Qian; Yang, Suliang; Li, Dingming; Tian, Guoxin","Complexation of Am(III) and Eu(III) with DRAPA (N,N-dialkyl-6-amide-pyridine-2-carboxylic acid","Dalton Transactions","2023","","","","","10.1039/D3DT02319B","","x-ray","0.71073","MoKα","","0.0739","0.0488","","","0.0963","0.1084","","","","","","0.979","","","","has coordinates","285896","2023-08-29","22:50:27",""
"7713802","14.7061","0.0012","19.404","0.001","12.2732","0.0009","90","","109.682","0.009","90","","3297.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Am N6 O9 -","- C27 H27 Am N6 O9 -","- C108 H108 Am4 N24 O36 -","4","1","","Xu, Chao; Liu, Tingting; Liu, Qian; Yang, Suliang; Li, Dingming; Tian, Guoxin","Complexation of Am(III) and Eu(III) with DRAPA (N,N-dialkyl-6-amide-pyridine-2-carboxylic acid","Dalton Transactions","2023","","","","","10.1039/D3DT02319B","","x-ray","0.71073","MoKα","","0.0838","0.0497","","","0.1174","0.1314","","","","","","1.047","","","","has coordinates","285896","2023-08-29","22:50:28",""
"7713803","11.9779","0.0003","12.2577","0.0002","21.5594","0.0003","81.132","0.001","80.211","0.002","61.361","0.002","2727.99","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H75 N Si6 U -","- C51 H75 N Si6 U -","- C102 H150 N2 Si12 U2 -","2","1","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.0422","0.0408","","","0.1095","0.1107","","","","","","1.091","","","","has coordinates","285897","2023-08-29","22:52:46",""
"7713804","10.8797","0.0005","10.9007","0.0004","22.5081","0.0005","76.998","0.002","81.201","0.003","80.413","0.004","2546.02","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H75 S2 Si6 U -","- C44 H75 S2 Si6 U -","- C88 H150 S4 Si12 U2 -","2","1","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.0928","0.0719","","","0.1905","0.261","","","","","","1.206","","","","has coordinates","285897","2023-08-29","22:52:47",""
"7713805","11.5856","0.0002","12.814","0.0003","22.9235","0.0003","95.933","0.001","99.85","0.002","110.413","0.002","3093.08","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H85 N2 O2 Si6 U -","- C59 H85 N2 O2 Si6 U -","- C118 H170 N4 O4 Si12 U2 -","2","1","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.0488","0.0426","","","0.0994","0.1025","","","","","","1.106","","","","has coordinates","285897","2023-08-29","22:52:47",""
"7713806","12.0216","0.0004","22.2346","0.0005","23.1886","0.0004","92.121","0.002","101.119","0.002","97.782","0.002","6013.1","0.3","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H72 N2 Si6 U -","- C42 H72 N2 Si6 U -","- C168 H288 N8 Si24 U4 -","4","2","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.1225","0.1078","","","0.2886","0.3025","","","","","","1.048","","","","has coordinates","285897","2023-08-29","22:52:47",""
"7713807","11.2283","0.0002","19.4707","0.0003","22.729","0.0003","79.006","0.001","86.497","0.001","88.881","0.001","4868.61","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H70 N S Si6 U -","- C41 H70 N S Si6 U -","- C164 H280 N4 S4 Si24 U4 -","4","2","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.0597","0.0532","","","0.1479","0.153","","","","","","1.073","","","","has coordinates","285897","2023-08-29","22:52:47",""
"7713808","11.0671","0.0003","23.6673","0.0008","19.3209","0.0006","90","","93.713","0.003","90","","5050.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 Cl N Si7 U -","- C41 H72 Cl N Si7 U -","- C164 H288 Cl4 N4 Si28 U4 -","4","1","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","0.71073","MoKα","","0.0553","0.0389","","","0.0669","0.0728","","","","","","1.028","","","","has coordinates","285897","2023-08-29","22:52:47",""
"7713809","11.2421","0.0003","17.3258","0.0003","24.2585","0.0006","90","","102.701","0.003","90","","4609.41","0.19","99.97","0.19","99.97","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H65 I N Si6 U -","- C35 H65 I N Si6 U -","- C140 H260 I4 N4 Si24 U4 -","4","1","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","0.71073","MoKα","","0.1098","0.0538","","","0.0772","0.0951","","","","","","1.021","","","","has coordinates","285897","2023-08-29","22:52:47",""
"7713810","15.71148","0.00017","17.09461","0.00016","23.34218","0.00017","69.891","0.0008","73.7899","0.0009","85.9991","0.0008","5650.67","0.1","100.03","0.18","100.03","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C51 H79 N3 Si6 U -","- C51 H79 N3 Si6 U -","- C204 H316 N12 Si24 U4 -","4","2","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.0438","0.0406","","","0.1074","0.1101","","","","","","1.037","","","","has coordinates","285897","2023-08-29","22:52:48",""
"7713811","12.1303","0.0003","12.8239","0.0003","21.7214","0.0004","96.102","0.002","90.987","0.002","111.065","0.002","3129.66","0.13","99.8","0.4","99.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C55 H94 N4 S Si6 U -","- C55 H94 N4 S Si6 U -","- C110 H188 N8 S2 Si12 U2 -","2","1","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.0535","0.0488","","","0.1244","0.1281","","","","","","1.059","","","","has coordinates","285897","2023-08-29","22:52:48",""
"7713812","50.4898","0.0009","11.7748","0.0003","38.7911","0.0008","90","","94.7","0.0017","90","","22984","0.9","99.98","0.1","99.98","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H80 N2 Si6 U -","- C50 H80 N2 Si6 U -","- C800 H1280 N32 Si96 U16 -","16","2","","Li, Tongyu; Wang, Dongwei; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity of a Lewis base supported uranium terminal imido metallocene towards small molecules","Dalton Transactions","2023","","","","","10.1039/D3DT02165C","","x-ray","1.54184","CuKα","","0.1162","0.0809","","","0.2021","0.2373","","","","","","1.041","","","","has coordinates","285897","2023-08-29","22:52:48",""
"7713813","17.8014","0.0008","14.6604","0.0006","17.7919","0.0007","90","","92.318","0.003","90","","4639.5","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cu F6 N4 O3 P3 -","- C50 H46 Cu F6 N4 O3 P3 -","- C200 H184 Cu4 F24 N16 O12 P12 -","4","1","","Naina, Vanitha R.; Singh, Akhil K.; Shubham, ?; Krätschmer, Frederic; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02317f","","x-ray","0.71073","MoKα","","0.1046","0.0635","","","0.1685","0.1915","","","","","","1.081","","","","has coordinates,has disorder","285898","2023-08-29","22:54:45",""
"7713814","17.9964","0.0007","14.6953","0.0003","17.3565","0.0006","90","","90.96","0.003","90","","4589.5","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl2 Cu F6 N3 O3 P3 -","- C47 H37 Cl2 Cu F6 N3 O3 P3 -","- C188 H148 Cl8 Cu4 F24 N12 O12 P12 -","4","1","","Naina, Vanitha R.; Singh, Akhil K.; Shubham, ?; Krätschmer, Frederic; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02317f","","x-ray","0.71073","MoKα","","0.0793","0.0545","","","0.1387","0.1553","","","","","","1.047","","","","has coordinates,has disorder","285898","2023-08-29","22:54:45",""
"7713815","40.1317","0.0018","14.1718","0.0004","17.4639","0.0008","90","","115.037","0.003","90","","8999.1","0.7","150","","150","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C95 H76 B2 Cl6 Cu2 F8 N6 O4 P4 -","- C95 H76 B2 Cl6 Cu2 F8 N6 O4 P4 -","- C380 H304 B8 Cl24 Cu8 F32 N24 O16 P16 -","4","0.5","","Naina, Vanitha R.; Singh, Akhil K.; Shubham, ?; Krätschmer, Frederic; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02317f","","x-ray","0.71073","MoKα","","0.0725","0.0485","","","0.1079","0.1208","","","","","","1.057","","","","has coordinates,has disorder","285898","2023-08-29","22:54:45",""
"7713816","14.757","0.002","15","0.004","16.552","0.005","77.69","0.02","65.656","0.019","87.432","0.018","3257.5","1.5","110","","110","","","","","","","","","10","P -1","-P 1","2","","","","- C65 H73 B Cl6 Cu F4 N3 O2 P2 S -","- C65 H73 B Cl6 Cu F4 N3 O2 P2 S -","- C130 H146 B2 Cl12 Cu2 F8 N6 O4 P4 S2 -","2","1","","Naina, Vanitha R.; Singh, Akhil K.; Shubham, ?; Krätschmer, Frederic; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02317f","","x-ray","0.71073","MoKα","","0.0995","0.0716","","","0.1857","0.2256","","","","","","1.083","","","","has coordinates,has disorder","285898","2023-08-29","22:54:46",""
"7713817","17.8322","0.0005","14.3406","0.0003","17.8408","0.0006","90","","94.179","0.002","90","","4550.2","0.2","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 B Cl2 Cu F4 N3 O2 P2 S -","- C51 H39 B Cl2 Cu F4 N3 O2 P2 S -","- C204 H156 B4 Cl8 Cu4 F16 N12 O8 P8 S4 -","4","1","","Naina, Vanitha R.; Singh, Akhil K.; Shubham, ?; Krätschmer, Frederic; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02317f","","x-ray","0.71073","MoKα","","0.0718","0.0429","","","0.1133","0.1199","","","","","","1.055","","","","has coordinates,has disorder","285898","2023-08-29","22:54:46",""
"7713818","13.6305","0.0005","9.5069","0.0003","12.8227","0.0004","90","","90","","90","","1661.61","0.1","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(R,R)-2,3-Dianthraniloylbutane","(R,R)-2,3-Dianthraniloylbutane","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","1.54178","CuKα","","0.0252","0.025","","","0.0743","0.0744","","","","","","1.05","","","","has coordinates","285899","2023-08-29","22:56:17",""
"7713819","15.1059","0.0014","9.4304","0.0009","17.6428","0.0016","90","","102.041","0.002","90","","2458","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-BiniqH4 . CH3OH . PhCH3","(R)-2,2'-bis-N-(2-hydroxy-3,5-di-tert-butylphenyl)amino-1,1'-binaphthyl methanol toluene solvate","","- C56 H68 N2 O3 -","- C56 H68 N2 O3 -","- C112 H136 N4 O6 -","2","1","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","0.71073","MoKα","","0.1268","0.0888","","","0.1977","0.2183","","","","","","1.239","","","","has coordinates","285899","2023-08-29","22:56:17",""
"7713820","12.7971","0.0004","13.0573","0.0004","25.72","0.0008","90","","95.8873","0.0015","90","","4275","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","(A,R,R)-(Bdan)OsO . (C,R,R)-(Bdan)OsO","(A,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium (C,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium cocrystal","","- C92 H112 N4 O14 Os2 -","- C92 H112 N4 O14 Os2 -","- C184 H224 N8 O28 Os4 -","2","1","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","1.54178","CuKα","","0.0213","0.0195","","","0.0471","0.0479","","","","","","1.046","","","","has coordinates","285899","2023-08-29","22:56:17",""
"7713821","12.7929","0.0003","18.4722","0.0004","37.6599","0.0007","90","","90","","90","","8899.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(C,R,R)-(Bdan)OsO . CH3OH","(C,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium methanol solvate","","- C47 H60 N2 O8 Os -","- C47 H60 N2 O8 Os -","- C376 H480 N16 O64 Os8 -","8","2","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","1.54178","CuKα","","0.0279","0.0254","","","0.0575","0.0586","","","","","","1.02","","","","has coordinates","285899","2023-08-29","22:56:18",""
"7713822","14.7503","0.0005","19.4021","0.0006","31.1892","0.0011","90","","90","","90","","8925.9","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(C,R,R)-(Bdan)Pd . 0.25 CH3OH","(C,R,R)-[2,3-butanediyl-di-2-(2-oxy-3,5-di-tert-butylphenyl-imino)benzoate]palladium hemidemimethanol solvate","","- C46.25 H57 N2 O6.25 Pd -","- C46.25 H57 N2 O6.25 Pd -","- C370 H456 N16 O50 Pd8 -","8","2","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","0.71073","MoKα","","0.0495","0.0384","","","0.0661","0.0693","","","","","","1.07","","","","has coordinates,has disorder","285899","2023-08-29","22:56:18",""
"7713823","9.7853","0.0002","9.8595","0.0002","10.5749","0.0002","104.317","0.001","108.808","0.001","100.624","0.001","896.15","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H56 Cl4 Cr2 N4 O2 -","- C30 H56 Cl4 Cr2 N4 O2 -","- C30 H56 Cl4 Cr2 N4 O2 -","1","0.5","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0323","0.0317","","","0.0873","0.0878","","","","","","1.049","","","","has coordinates","285917","2023-08-30","23:02:47",""
"7713824","12.6735","0.0001","10.5634","0.0001","21.8451","0.0002","90","","101.566","0.001","90","","2865.13","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cr N2 -","- C15 H22 Cr N2 -","- C120 H176 Cr8 N16 -","8","2","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0407","0.0361","","","0.0927","0.0958","","","","","","1.051","","","","has coordinates","285917","2023-08-30","23:02:48",""
"7713825","10.70621","0.00004","10.70621","0.00004","20.0986","0.0001","90","","90","","90","","2303.76","0.017","100","0.1","100","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C25 H36 Cl Cr N -","- C25 H36 Cl Cr N -","- C100 H144 Cl4 Cr4 N4 -","4","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0379","0.0374","","","0.0992","0.0995","","","","","","1.109","","","","has coordinates,has disorder","285917","2023-08-30","23:02:48",""
"7713826","10.4186","0.0001","9.8121","0.0001","20.0881","0.0002","90","","90.957","0.001","90","","2053.29","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl4 Cr2 N2 -","- C40 H62 Cl4 Cr2 N2 -","- C80 H124 Cl8 Cr4 N4 -","2","0.5","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0456","0.0432","","","0.1185","0.1204","","","","","","1.062","","","","has coordinates","285917","2023-08-30","23:02:48",""
"7713827","23.8746","0.0004","23.8746","0.0004","10.3635","0.0002","90","","90","","120","","5115.75","0.16","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C40 H48 Cl Cr N -","- C40 H48 Cl Cr N -","- C240 H288 Cl6 Cr6 N6 -","6","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0643","0.0429","","","0.0987","0.1077","","","","","","1.024","","","","has coordinates,has disorder","285917","2023-08-30","23:02:48",""
"7713828","16.8832","0.0002","8.3977","0.0001","14.6843","0.0002","90","","114.249","0.001","90","","1898.25","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cr N2 O2 -","- C19 H27 Cr N2 O2 -","- C76 H108 Cr4 N8 O8 -","4","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0276","0.0267","","","0.0652","0.0657","","","","","","1.062","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713829","9.9514","0.0002","10.4567","0.0002","16.9742","0.0002","100.514","0.001","96.189","0.001","111.365","0.002","1587.75","0.05","100","0.3","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H46 Cr N2 -","- C37 H46 Cr N2 -","- C74 H92 Cr2 N4 -","2","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.034","0.0325","","","0.0794","0.0802","","","","","","1.061","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713830","12.7801","0.0001","21.8107","0.0002","14.6278","0.0002","90","","102.961","0.001","90","","3973.52","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 Cl Cr N2 -","- C44 H53 Cl Cr N2 -","- C176 H212 Cl4 Cr4 N8 -","4","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0395","0.0341","","","0.0888","0.0919","","","","","","1.07","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713831","9.4453","0.0001","11.6653","0.0001","16.9234","0.0002","108.053","0.001","90.292","0.001","98.825","0.001","1749.12","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H96 Cl10 Cr5 N8 O6 -","- C52 H96 Cl10 Cr5 N8 O6 -","- C52 H96 Cl10 Cr5 N8 O6 -","1","0.5","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.055","0.053","","","0.1378","0.1394","","","","","","1.056","","","","has coordinates,has disorder","285917","2023-08-30","23:02:49",""
"7713832","9.7164","0.0002","13.4856","0.0002","26.2318","0.0004","90","","90","","90","","3437.19","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H25 Cl Cr N2 -","- C16 H25 Cl Cr N2 -","- C128 H200 Cl8 Cr8 N16 -","8","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0408","0.0371","","","0.0903","0.0924","","","","","","1.051","","","","has coordinates,has disorder","285917","2023-08-30","23:02:49",""
"7713833","8.3556","0.0002","15.6072","0.0004","27.4722","0.0006","90","","91.1","0.002","90","","3581.92","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl Cr N2 -","- C17 H27 Cl Cr N2 -","- C136 H216 Cl8 Cr8 N16 -","8","2","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0758","0.0708","","","0.1855","0.19","","","","","","1.04","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713834","10.774","0.0001","14.5659","0.0001","17.1932","0.0002","90","","107.799","0.001","90","","2569.03","0.04","100","0.1","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Cl Cr N -","- C29 H38 Cl Cr N -","- C116 H152 Cl4 Cr4 N4 -","4","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0306","0.0281","","","0.0728","0.0739","","","","","","1.067","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713835","9.7623","0.0001","19.709","0.0002","13.4002","0.0001","90","","98.238","0.001","90","","2551.66","0.04","100","0.5","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl Cr N2 -","- C12 H17 Cl Cr N2 -","- C96 H136 Cl8 Cr8 N16 -","8","2","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.042","0.04","","","0.1029","0.1041","","","","","","1.073","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713836","32.9527","0.0002","8.5838","0.0001","33.4485","0.0002","90","","92.005","0.001","90","","9455.43","0.14","100","0.1","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H29 Cl Cr N2 -","- C26 H29 Cl Cr N2 -","- C416 H464 Cl16 Cr16 N32 -","16","2","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0403","0.0373","","","0.0992","0.1009","","","","","","1.08","","","","has coordinates","285917","2023-08-30","23:02:49",""
"7713837","7.7622","0.0015","18.351","0.004","18.175","0.003","90","","100.469","0.006","90","","2545.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl2 Co N5 O4 -","- C21 H25 Cl2 Co N5 O4 -","- C84 H100 Cl8 Co4 N20 O16 -","4","1","","Panda, Suvam Kumar; Torres, Julia; Kremer, Carlos; Singh, Akhilesh Kumar","Comparative ParaCEST effect of amide and hydroxy group in divalent Cobalt and Nickel complexes of tripyridine-based ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01422C","","","0.71073","MoKα","","0.1917","0.0867","","","0.245","0.325","","","","","","0.946","","","","has coordinates","285918","2023-08-30","23:04:39",""
"7713838","8.797","0.005","11.225","0.006","12.699","0.007","81.911","0.014","78.699","0.014","89.854","0.014","1217","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl2 N5 Ni O5 -","- C21 H27 Cl2 N5 Ni O5 -","- C42 H54 Cl4 N10 Ni2 O10 -","2","1","","Panda, Suvam Kumar; Torres, Julia; Kremer, Carlos; Singh, Akhilesh Kumar","Comparative ParaCEST effect of amide and hydroxy group in divalent Cobalt and Nickel complexes of tripyridine-based ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01422C","","","0.71073","MoKα","","0.1744","0.0921","","","0.2458","0.314","","","","","","1.004","","","","has coordinates","285918","2023-08-30","23:04:41",""
"7713839","7.552","0.002","11.352","0.003","15.381","0.005","87.166","0.01","89.957","0.009","88.984","0.009","1316.8","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl2 Co N7 O3 -","- C21 H21 Cl2 Co N7 O3 -","- C42 H42 Cl4 Co2 N14 O6 -","2","1","","Panda, Suvam Kumar; Torres, Julia; Kremer, Carlos; Singh, Akhilesh Kumar","Comparative ParaCEST effect of amide and hydroxy group in divalent Cobalt and Nickel complexes of tripyridine-based ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01422C","","","0.71073","MoKα","","0.2607","0.0774","","","0.1791","0.2658","","","","","","0.917","","","","has coordinates,has disorder","285918","2023-08-30","23:04:42",""
"7713840","7.6273","0.0016","11.28","0.003","15.336","0.003","93.38","0.007","90.025","0.007","91.548","0.007","1316.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl2 N7 Ni O3 -","- C21 H21 Cl2 N7 Ni O3 -","- C42 H42 Cl4 N14 Ni2 O6 -","2","1","","Panda, Suvam Kumar; Torres, Julia; Kremer, Carlos; Singh, Akhilesh Kumar","Comparative ParaCEST effect of amide and hydroxy group in divalent Cobalt and Nickel complexes of tripyridine-based ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01422C","","","0.71073","MoKα","","0.057","0.0428","","","0.1065","0.113","","","","","","1.052","","","","has coordinates,has disorder","285918","2023-08-30","23:04:42",""
"7713841","9.7624","0.0003","25.1828","0.0007","10.4527","0.0003","90","","116.673","0.0012","90","","2296.29","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N2 O2 P S -","- C24 H20 Co N2 O2 P S -","- C96 H80 Co4 N8 O8 P4 S4 -","4","1","","Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung","Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing","Dalton Transactions","2023","","","","","10.1039/D3DT01681A","","","0.71073","MoKα","","0.0887","0.0413","","","0.0899","0.1143","","","","","","0.991","","","","has coordinates","285919","2023-08-30","23:05:54",""
"7713842","11.6879","0.0003","8.1606","0.0003","17.0513","0.0006","90","","106.191","0.002","90","","1561.85","0.09","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C37 H30 Co N O2 P2 -","- C37 H30 Co N O2 P2 -","- C74 H60 Co2 N2 O4 P4 -","2","0.5","","Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung","Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing","Dalton Transactions","2023","","","","","10.1039/D3DT01681A","","","0.71073","MoKα","","0.0553","0.0391","","","0.0896","0.0978","","","","","","1.087","","","","has coordinates,has disorder","285919","2023-08-30","23:05:54",""
"7713843","10.178","0.0007","10.4315","0.0007","10.9687","0.0008","62.4838","0.0014","78.8115","0.0015","64.1468","0.0015","929.42","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Co N O3 P -","- C20 H15 Co N O3 P -","- C40 H30 Co2 N2 O6 P2 -","2","1","","Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung","Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing","Dalton Transactions","2023","","","","","10.1039/D3DT01681A","","","0.71073","MoKα","","0.0469","0.0388","","","0.0946","0.0993","","","","","","1.033","","","","has coordinates,has disorder","285919","2023-08-30","23:05:54",""
"7713844","9.4268","0.0005","18.2553","0.0009","20.3429","0.0009","90","","101.509","0.001","90","","3430.4","0.3","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 B Co F4 N2 O2 P2 -","- C36 H30 B Co F4 N2 O2 P2 -","- C144 H120 B4 Co4 F16 N8 O8 P8 -","4","1","","Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung","Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing","Dalton Transactions","2023","","","","","10.1039/D3DT01681A","","","0.71073","MoKα","","0.052","0.0405","","","0.0972","0.1032","","","","","","1.017","","","","has coordinates","285919","2023-08-30","23:05:54",""
"7713845","11.051","0.003","16.554","0.005","18.159","0.005","98.004","0.007","92.466","0.006","97.493","0.007","3255.2","1.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Co N2 O2 P S2 -","- C36 H30 Co N2 O2 P S2 -","- C144 H120 Co4 N8 O8 P4 S8 -","4","2","","Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung","Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing","Dalton Transactions","2023","","","","","10.1039/D3DT01681A","","","0.71073","MoKα","","0.1903","0.0743","","","0.1051","0.1345","","","","","","0.962","","","","has coordinates","285919","2023-08-30","23:05:54",""
"7713846","20.3288","0.001","20.6729","0.001","8.8263","0.0004","90","","90","","90","","3709.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H37 Cl2 N P2 Ru S -","- C43 H37 Cl2 N P2 Ru S -","- C172 H148 Cl8 N4 P8 Ru4 S4 -","4","1","","Dang, Duy-Khoi; Cehreli, Damla; Rich, Benjamin S.; Haas, Terry E.; Fronczek, Frank R.; Kirss, Rein","Phosphine Substitution and Linkage Isomerization in Cyclopentadienylruthenium bis(triphenylphosphine)thiocyanide and selenocyanide, CpRu(PPh3)2NCS and CpRu(PPh3)2SeCN","Dalton Transactions","2023","","","","","10.1039/D3DT02397D","","","0.71073","MoKα","","0.0429","0.033","","","0.0653","0.0751","","","","","","1.204","","","","has coordinates","285941","2023-08-31","23:03:57",""
"7713847","18.2161","0.0014","10.9631","0.0008","18.821","0.0015","90","","114.698","0.002","90","","3414.8","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 N P2 Ru Se -","- C42 H35 N P2 Ru Se -","- C168 H140 N4 P8 Ru4 Se4 -","4","1","","Dang, Duy-Khoi; Cehreli, Damla; Rich, Benjamin S.; Haas, Terry E.; Fronczek, Frank R.; Kirss, Rein","Phosphine Substitution and Linkage Isomerization in Cyclopentadienylruthenium bis(triphenylphosphine)thiocyanide and selenocyanide, CpRu(PPh3)2NCS and CpRu(PPh3)2SeCN","Dalton Transactions","2023","","","","","10.1039/D3DT02397D","","","0.71073","MoKα","","0.1094","0.0514","","","0.0783","0.0936","","","","","","0.999","","","","has coordinates","285941","2023-08-31","23:03:57",""
"7713848","13.1668","0.0009","21.2752","0.0012","11.1139","0.0007","90","","90","","90","","3113.3","0.3","150","0.5","150","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H33 N P2 Ru Se -","- C37 H33 N P2 Ru Se -","- C148 H132 N4 P8 Ru4 Se4 -","4","1","","Dang, Duy-Khoi; Cehreli, Damla; Rich, Benjamin S.; Haas, Terry E.; Fronczek, Frank R.; Kirss, Rein","Phosphine Substitution and Linkage Isomerization in Cyclopentadienylruthenium bis(triphenylphosphine)thiocyanide and selenocyanide, CpRu(PPh3)2NCS and CpRu(PPh3)2SeCN","Dalton Transactions","2023","","","","","10.1039/D3DT02397D","","","0.71073","MoKα","","0.1508","0.106","","","0.2107","0.227","","","","","","1.174","","","","has coordinates,has disorder","285941","2023-08-31","23:03:57",""
"7713849","12.3722","0.0004","12.6828","0.0004","13.5552","0.0004","91.665","0.002","115.605","0.002","112.079","0.002","1730.16","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35 Cl2 N P2 Ru S -","- C38 H35 Cl2 N P2 Ru S -","- C76 H70 Cl4 N2 P4 Ru2 S2 -","2","1","","Dang, Duy-Khoi; Cehreli, Damla; Rich, Benjamin S.; Haas, Terry E.; Fronczek, Frank R.; Kirss, Rein","Phosphine Substitution and Linkage Isomerization in Cyclopentadienylruthenium bis(triphenylphosphine)thiocyanide and selenocyanide, CpRu(PPh3)2NCS and CpRu(PPh3)2SeCN","Dalton Transactions","2023","","","","","10.1039/D3DT02397D","","","0.71073","MoKα","","0.0712","0.0428","","","0.0798","0.0957","","","","","","1.089","","","","has coordinates","285941","2023-08-31","23:03:58",""
"7713850","15.2729","0.0008","15.4945","0.0008","39.339","0.002","90","","90","","90","","9309.4","0.8","100","2","100","2","","","","","","","","8","I m m m","-I 2 2","71","","","","- C134 H180 Ag18 F6 Na4 O25 S8 Sb -","- C134 H184 Ag18 F6 Na4 O25 S8 Sb -","- C268 H368 Ag36 F12 Na8 O50 S16 Sb2 -","2","0.125","","Xie, Wen-Xuan; Xue, Chun-Hui; Liu, Meng; Zhou, Kun; Gu, Hui-Hao; Ji, Jiuyu; Chen, Baokuan; Liu, Na; Bi, Yanfeng","Thiacalix[4]arene-protected alkynyl Agn (n =9, 18) nanoclusters: Syntheses, structural characterizations, photocurrent responses and fluorescence properties","Dalton Transactions","2023","","","","","10.1039/D3DT02285D","","","0.71073","MoKα","","0.0865","0.0687","","","0.1757","0.1849","","","","","","1.111","","","","has coordinates,has disorder","285942","2023-08-31","23:05:08",""
"7713851","22.163","0.002","21.603","0.002","19.2809","0.0018","90","","119.703","0.003","90","","8018.5","1.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C136 H176 Ag18 F6 O16 S8 -","- C134 H168 Ag18 F6 O14 S8 -","- C268 H336 Ag36 F12 O28 S16 -","2","0.25","","Xie, Wen-Xuan; Xue, Chun-Hui; Liu, Meng; Zhou, Kun; Gu, Hui-Hao; Ji, Jiuyu; Chen, Baokuan; Liu, Na; Bi, Yanfeng","Thiacalix[4]arene-protected alkynyl Agn (n =9, 18) nanoclusters: Syntheses, structural characterizations, photocurrent responses and fluorescence properties","Dalton Transactions","2023","","","","","10.1039/D3DT02285D","","","0.71073","MoKα","","0.1003","0.055","","","0.1209","0.15","","","","","","1.046","","","","has coordinates,has disorder","285942","2023-08-31","23:05:08",""
"7713852","7.125","0.0007","9.8501","0.0009","13.4002","0.0012","90","","105.02","0.004","90","","908.32","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ag Cl N4 O5 -","- C4 H6 Ag Cl N4 O5 -","- C16 H24 Ag4 Cl4 N16 O20 -","4","1","","Zhang, Chao; Wang, Tingwei; Lu, Zu-Jia; Yi, Zhenxin; Kuang, Baolong; Bu, Shu; Xie, Zhiming; Li, Yan; Wang, Kun; Zhang, Jianguo","Optimization of Performance and Sensitivity: Preparation of Two Ag(I)-based ECPs by Using Isomeric Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02429F","","","0.71073","MoKα","","0.0942","0.0808","","","0.2086","0.219","","","","","","1.066","","","","has coordinates,has disorder","285943","2023-08-31","23:05:42",""
"7713853","9.4181","0.0009","6.6865","0.0006","14.2531","0.0013","90","","90","","90","","897.58","0.14","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H6 Ag Cl N4 O5 -","- C4 H6 Ag Cl N4 O5 -","- C16 H24 Ag4 Cl4 N16 O20 -","4","0.5","","Zhang, Chao; Wang, Tingwei; Lu, Zu-Jia; Yi, Zhenxin; Kuang, Baolong; Bu, Shu; Xie, Zhiming; Li, Yan; Wang, Kun; Zhang, Jianguo","Optimization of Performance and Sensitivity: Preparation of Two Ag(I)-based ECPs by Using Isomeric Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02429F","","","0.71073","MoKα","","0.0858","0.061","","","0.1511","0.1624","","","","","","1.111","","","","has coordinates","285943","2023-08-31","23:05:42",""
"7713854","10.279","0.0007","10.361","0.0008","25.022","0.001","90","","90","","90","","2664.9","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O3 -","- C28 H42 O3 -","- C112 H168 O12 -","4","1","","Kim, Yoseph; Kim, Jaehoon; Lee, Ji Hye; Moon, Hyung kwon; Noh, Gae Hee; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Kim, Youngjo; Park, Myung Hwan","Highly emissive 4-carbazole–appended salen–indium complex: the effect of strong donor–acceptor interaction","Dalton Transactions","2023","","","","","10.1039/D3DT02129G","","","0.7107","MoKα","","","0.0658","","","","0.1297","","","","","","1.612","","","","has coordinates","285956","2023-09-01","22:53:51",""
"7713855","14.01","0.003","14.48","0.003","24.32","0.005","91.52","0.03","95.92","0.03","107.67","0.03","4667.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0539","0.053","","","0.148","0.1489","","","","","","1.045","","","","has coordinates,has disorder","285957","2023-09-01","23:05:42",""
"7713856","14.02","0.003","14.48","0.003","24.34","0.005","91.46","0.03","95.92","0.03","107.73","0.03","4673","1.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0535","0.0525","","","0.1487","0.1498","","","","","","1.041","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713857","14.05","0.003","14.52","0.003","24.43","0.005","91.21","0.03","95.92","0.03","108.02","0.03","4706.7","1.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0555","0.054","","","0.1585","0.1603","","","","","","1.025","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713858","14.13","0.003","14.57","0.003","24.67","0.005","90.71","0.03","95.87","0.03","108.75","0.03","4778.6","1.9","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0633","0.0598","","","0.1866","0.1926","","","","","","1.062","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713859","14.03","0.003","14.49","0.003","24.36","0.005","91.4","0.03","95.92","0.03","107.79","0.03","4682.1","1.9","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0524","0.0513","","","0.1434","0.1446","","","","","","1.029","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713860","14.07","0.003","14.54","0.003","24.53","0.005","90.98","0.03","95.94","0.03","108.33","0.03","4731.5","1.9","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0581","0.0558","","","0.1689","0.1725","","","","","","1.052","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713861","14.04","0.003","14.51","0.003","24.41","0.005","91.28","0.03","95.92","0.03","107.94","0.03","4698.1","1.9","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0544","0.0531","","","0.1536","0.1551","","","","","","1.02","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713862","14.06","0.003","14.52","0.003","24.46","0.005","91.14","0.03","95.93","0.03","108.11","0.03","4713.6","1.9","160","","160","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0574","0.0555","","","0.1656","0.168","","","","","","1.035","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713863","14.17","0.003","14.59","0.003","24.74","0.005","90.61","0.03","95.79","0.03","108.88","0.03","4810","2","260","","260","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0653","0.0605","","","0.1894","0.1978","","","","","","1.055","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713864","14.01","0.003","14.48","0.003","24.32","0.005","91.52","0.03","95.92","0.03","107.67","0.03","4667.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.82656","synchrotron","","0.1052","0.1012","","","0.2547","0.258","","","","","","1.147","","","","has coordinates","285957","2023-09-01","23:05:43",""
"7713865","14.03","0.003","14.5","0.003","24.38","0.005","91.34","0.03","95.92","0.03","107.86","0.03","4687.6","1.9","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0543","0.0531","","","0.1519","0.1532","","","","","","1.017","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713866","14.07","0.003","14.53","0.003","24.5","0.005","91.06","0.03","95.94","0.03","108.21","0.03","4725.5","1.9","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.059","0.0556","","","0.1666","0.1707","","","","","","1.032","","","","has coordinates,has disorder","285957","2023-09-01","23:05:43",""
"7713867","14.01","0.003","14.48","0.003","24.32","0.005","91.52","0.03","95.92","0.03","107.67","0.03","4667.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.82656","synchrotron","","0.1076","0.1036","","","0.2617","0.2652","","","","","","1.149","","","","has coordinates","285957","2023-09-01","23:05:44",""
"7713868","14.11","0.003","14.57","0.003","24.64","0.005","90.75","0.03","95.89","0.03","108.69","0.03","4767.4","1.9","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.062","0.0581","","","0.1786","0.1845","","","","","","1.045","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713869","14.08","0.003","14.55","0.003","24.56","0.005","90.91","0.03","95.93","0.03","108.43","0.03","4741.6","1.9","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.06","0.0573","","","0.1753","0.1794","","","","","","1.066","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713870","14.01","0.003","14.48","0.003","24.32","0.005","91.52","0.03","95.92","0.03","107.67","0.03","4667.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.82656","synchrotron","","0.0976","0.0938","","","0.2386","0.2416","","","","","","1.127","","","","has coordinates","285957","2023-09-01","23:05:44",""
"7713871","14.15","0.003","14.59","0.003","24.71","0.005","90.65","0.03","95.82","0.03","108.85","0.03","4798","2","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0664","0.0622","","","0.1959","0.2046","","","","","","1.068","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713872","14.1","0.003","14.56","0.003","24.61","0.005","90.81","0.03","95.9","0.03","108.58","0.03","4757.7","1.9","210","","210","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0613","0.058","","","0.1772","0.1826","","","","","","1.056","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713873","14.01","0.003","14.48","0.003","24.32","0.005","91.52","0.03","95.92","0.03","107.67","0.03","4667.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.82656","synchrotron","","0.0898","0.0857","","","0.2191","0.2222","","","","","","1.125","","","","has coordinates","285957","2023-09-01","23:05:44",""
"7713874","14.09","0.003","14.55","0.003","24.59","0.005","90.86","0.03","95.92","0.03","108.51","0.03","4748.8","1.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0587","0.0557","","","0.1693","0.1733","","","","","","1.04","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713875","14.24","0.003","14.63","0.003","24.86","0.005","90.42","0.03","95.68","0.03","109.16","0.03","4864","2","310","","310","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H65 B4 F16 Fe3 N28 -","- C100 H65 B4 F16 Fe3 N28 -","- C200 H130 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0824","0.0725","","","0.2299","0.2507","","","","","","1.049","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713876","14.01","0.003","14.48","0.003","24.32","0.005","91.52","0.03","95.92","0.03","107.67","0.03","4667.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.82656","synchrotron","","0.1162","0.0933","","","0.2397","0.2504","","","","","","1.193","","","","has coordinates","285957","2023-09-01","23:05:44",""
"7713877","14.2","0.003","14.6","0.003","24.79","0.005","90.55","0.03","95.71","0.03","108.98","0.03","4831","2","280","","280","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H71 B4 F16 Fe3 N28 -","- C100 H71 B4 F16 Fe3 N28 -","- C200 H142 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.069","0.0638","","","0.2041","0.2156","","","","","","1.053","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713878","14.14","0.003","14.58","0.003","24.69","0.005","90.68","0.03","95.85","0.03","108.8","0.03","4788.1","1.9","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H74 B4 F16 Fe3 N28 -","- C100 H74 B4 F16 Fe3 N28 -","- C200 H148 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0644","0.0603","","","0.1873","0.1951","","","","","","1.056","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713879","14.21","0.003","14.61","0.003","24.81","0.005","90.52","0.03","95.69","0.03","109.04","0.03","4840","2","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H71 B4 F16 Fe3 N28 -","- C100 H71 B4 F16 Fe3 N28 -","- C200 H142 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0707","0.0646","","","0.2086","0.2223","","","","","","1.052","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713880","14.23","0.003","14.62","0.003","24.84","0.005","90.48","0.03","95.68","0.03","109.09","0.03","4855","2","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H71 B4 F16 Fe3 N28 -","- C100 H71 B4 F16 Fe3 N28 -","- C200 H142 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0739","0.0669","","","0.2145","0.2299","","","","","","1.048","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713881","14.18","0.003","14.6","0.003","24.76","0.005","90.58","0.03","95.74","0.03","108.93","0.03","4820","2","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H71 B4 F16 Fe3 N28 -","- C100 H71 B4 F16 Fe3 N28 -","- C200 H142 B8 F32 Fe6 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02067c","","","0.6199","synchrotron","","0.0675","0.063","","","0.2002","0.2103","","","","","","1.056","","","","has coordinates,has disorder","285957","2023-09-01","23:05:44",""
"7713882","10.7108","0.0002","19.4049","0.0003","17.7729","0.0003","90","","106.699","0.002","90","","3538.17","0.11","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Mg N2 O -","- C39 H54 Mg N2 O -","- C156 H216 Mg4 N8 O4 -","4","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","0.71073","MoKα","","0.0658","0.0437","","","0.1009","0.1109","","","","","","1.03","","","","has coordinates","285958","2023-09-01","23:08:17",""
"7713883","11.0633","0.0014","7.7845","0.001","19.436","0.003","90","","101.884","0.012","90","","1638","0.4","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Al N3 O -","- C16 H22 Al N3 O -","- C64 H88 Al4 N12 O4 -","4","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","0.71073","MoKα","","0.1004","0.0589","","","0.1009","0.1198","","","","","","1.05","","","","has coordinates","285958","2023-09-01","23:08:18",""
"7713884","38.2698","0.0012","9.7287","0.0003","27.2433","0.0008","90","","92.726","0.003","90","","10131.6","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 Al Mg N6 O2 -","- C53 H73 Al Mg N6 O2 -","- C424 H584 Al8 Mg8 N48 O16 -","8","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0748","0.0523","","","0.1326","0.1603","","","","","","1.069","","","","has coordinates,has disorder","285958","2023-09-01","23:08:18",""
"7713885","10.8131","0.0001","19.017","0.0003","17.3003","0.0002","90","","105.924","0.001","90","","3420.99","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Mg N3 O -","- C37 H53 Mg N3 O -","- C148 H212 Mg4 N12 O4 -","4","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0441","0.0417","","","0.1125","0.1148","","","","","","1.028","","","","has coordinates","285958","2023-09-01","23:08:18",""
"7713886","18.7709","0.0005","13.0019","0.0003","25.8666","0.0007","90","","91.115","0.002","90","","6311.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 Al2 Mg O6 -","- C72 H88 Al2 Mg O6 -","- C288 H352 Al8 Mg4 O24 -","4","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0904","0.0524","","","0.1134","0.1328","","","","","","1.007","","","","has coordinates,has disorder","285958","2023-09-01","23:08:18",""
"7713887","14.2675","0.0001","13.0762","0.0001","47.5036","0.0002","90","","90","","90","","8862.49","0.1","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H31 Al O -","- C25 H31 Al O -","- C400 H496 Al16 O16 -","16","4","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0395","0.0391","","","0.1081","0.1085","","","","","","1.059","","","","has coordinates","285958","2023-09-01","23:08:18",""
"7713888","9.2045","0.0002","12.8235","0.0003","15.2783","0.0003","97.717","0.002","91.981","0.002","94.629","0.002","1779.31","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 Mg N2 O -","- C40 H56 Mg N2 O -","- C80 H112 Mg2 N4 O2 -","2","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0483","0.0428","","","0.1149","0.1189","","","","","","1.079","","","","has coordinates","285958","2023-09-01","23:08:18",""
"7713889","12.2499","0.0002","7.4542","0.0001","21.2085","0.0003","90","","100.416","0.001","90","","1904.7","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Ga O -","- C22 H25 Ga O -","- C88 H100 Ga4 O4 -","4","1","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0294","0.0281","","","0.0758","0.0767","","","","","","1.072","","","","has coordinates","285958","2023-09-01","23:08:19",""
"7713890","24.8759","0.0012","16.172","0.0007","25.6799","0.0014","90","","99.46","0.002","90","","10190.4","0.9","193","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H46 Br Cu F6 N3 O P3 -","- C57 H46 Br Cu F6 N3 O P3 -","- C456 H368 Br8 Cu8 F48 N24 O8 P24 -","8","2","","He, Haifeng; Zhang, Jia-kun; Wu, Xiao-yun; Zhao, Feng; Huang, Yu-zhen; Wang, Ming-cong; Feng, Chao-xuan; Mao, De-rui; Huang, Xuelong; Hu, Yi-fan","Hypso- or bathochromic phosphorescent mechanochromic mononuclear Cu(I) complexes with a bis(2-diphenylphosphinophenyl)ether auxiliary ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02064A","","x-ray","0.71073","MoKα","","0.1321","0.0652","","","0.1013","0.1249","","","","","","1.051","","","","has coordinates","285959","2023-09-01","23:11:14",""
"7713891","11.2852","0.0005","13.4528","0.0006","15.99","0.0009","92.554","0.002","93.172","0.002","113.872","0.002","2210.52","0.19","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H41 Cu F6 N O P3 -","- C52 H41 Cu F6 N O P3 -","- C104 H82 Cu2 F12 N2 O2 P6 -","2","1","","He, Haifeng; Zhang, Jia-kun; Wu, Xiao-yun; Zhao, Feng; Huang, Yu-zhen; Wang, Ming-cong; Feng, Chao-xuan; Mao, De-rui; Huang, Xuelong; Hu, Yi-fan","Hypso- or bathochromic phosphorescent mechanochromic mononuclear Cu(I) complexes with a bis(2-diphenylphosphinophenyl)ether auxiliary ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02064A","","x-ray","0.71073","MoKα","","0.0861","0.0539","","","0.0991","0.1154","","","","","","1.037","","","","has coordinates","285959","2023-09-01","23:11:14",""
"7713892","13.9127","0.0008","14.3328","0.0007","15.2579","0.0008","72.526","0.002","75.888","0.002","82.441","0.002","2809","0.3","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H50 Cl2 Cu F6 N2 O P3 -","- C64 H50 Cl2 Cu F6 N2 O P3 -","- C128 H100 Cl4 Cu2 F12 N4 O2 P6 -","2","1","","He, Haifeng; Zhang, Jia-kun; Wu, Xiao-yun; Zhao, Feng; Huang, Yu-zhen; Wang, Ming-cong; Feng, Chao-xuan; Mao, De-rui; Huang, Xuelong; Hu, Yi-fan","Hypso- or bathochromic phosphorescent mechanochromic mononuclear Cu(I) complexes with a bis(2-diphenylphosphinophenyl)ether auxiliary ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02064A","","x-ray","0.71073","MoKα","","0.1123","0.0649","","","0.1437","0.1699","","","","","","1.015","","","","has coordinates","285959","2023-09-01","23:11:14",""
"7713893","11.2406","0.0004","32.1855","0.0013","13.1783","0.0006","90","","114.284","0.001","90","","4345.8","0.3","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Cu F6 N O P3 -","- C51 H39 Cu F6 N O P3 -","- C204 H156 Cu4 F24 N4 O4 P12 -","4","1","","He, Haifeng; Zhang, Jia-kun; Wu, Xiao-yun; Zhao, Feng; Huang, Yu-zhen; Wang, Ming-cong; Feng, Chao-xuan; Mao, De-rui; Huang, Xuelong; Hu, Yi-fan","Hypso- or bathochromic phosphorescent mechanochromic mononuclear Cu(I) complexes with a bis(2-diphenylphosphinophenyl)ether auxiliary ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02064A","","x-ray","0.71073","MoKα","","0.0643","0.0444","","","0.0995","0.1101","","","","","","1.047","","","","has coordinates,has disorder","285959","2023-09-01","23:11:14",""
"7713894","16.0047","0.0008","16.1808","0.0007","19.8413","0.0009","90","","106.624","0.002","90","","4923.5","0.4","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H47 Cu F6 N3 O P3 -","- C57 H47 Cu F6 N3 O P3 -","- C228 H188 Cu4 F24 N12 O4 P12 -","4","1","","He, Haifeng; Zhang, Jia-kun; Wu, Xiao-yun; Zhao, Feng; Huang, Yu-zhen; Wang, Ming-cong; Feng, Chao-xuan; Mao, De-rui; Huang, Xuelong; Hu, Yi-fan","Hypso- or bathochromic phosphorescent mechanochromic mononuclear Cu(I) complexes with a bis(2-diphenylphosphinophenyl)ether auxiliary ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02064A","","x-ray","0.71073","MoKα","","0.0889","0.0567","","","0.102","0.1171","","","","","","1.072","","","","has coordinates","285959","2023-09-01","23:11:14",""
"7713895","10.3397","0.0006","14.6943","0.0008","14.9974","0.0008","90","","90.685","0.002","90","","2278.5","0.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cu N6 O8.5 -","- C21 H18.5 Cu N6 O8.5 -","- C84 H74 Cu4 N24 O34 -","4","1","","Hou, Hongwei; Shao, Zhichao; Cheng, Haoran; Wei, Yi; Chen, Junshuai; Gao, Kexin; Fang, Zhe; Yan, Yangshuang; Mi, Liwei","Cationic metal-organic framework with charge separation effect as a high output triboelectric nanogenerator material for self-powered anticorrosion","Dalton Transactions","2023","","","","","10.1039/D3DT02185H","","","0.71073","MoKα","","0.0492","0.0375","","","0.1006","0.107","","","","","","1.089","","","","has coordinates","285970","2023-09-02","22:52:50",""
"7713896","12.8788","0.0004","13.281","0.0004","20.2866","0.0006","90","","92.701","0.001","90","","3466.03","0.18","193","2","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4.571 H4.343 N0.229 O0.229 Pt0.114 -","- C4.57143 H4.34286 N0.228571 O0.228571 Pt0.114286 -","- C160 H152 N8 O8 Pt4 -","35","8.75","","Luo, Xufeng; Ning, Sheng; He, Hang; Tang, Hao; Sheng, Liangjun; Shen, Yirui; Han, Hua-Bo; Xiao, Xunwen; Zheng, You-Xuan","Design of Carbazole-based Platinum Complexes with Steric Hindrance for Efficient Organic Light-emitting Diodes","Dalton Transactions","2023","","","","","10.1039/D3DT02264A","","","1.34139","synchrotron","","0.0224","0.0199","","","0.0479","0.0493","","","","","","1.0443","","","","has coordinates,has disorder","285997","2023-09-04","22:56:12",""
"7713897","8.9905","0.0005","13.0648","0.0007","30.8067","0.0016","90","","98.192","0.002","90","","3581.6","0.3","193","2","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.556 H4.258 F0.333 N0.222 O0.222 Pt0.111 -","- C4.55556 H4.25811 F0.333333 N0.222222 O0.222222 Pt0.111111 -","- C164 H153.292 F12 N8 O8 Pt4 -","36","9","","Luo, Xufeng; Ning, Sheng; He, Hang; Tang, Hao; Sheng, Liangjun; Shen, Yirui; Han, Hua-Bo; Xiao, Xunwen; Zheng, You-Xuan","Design of Carbazole-based Platinum Complexes with Steric Hindrance for Efficient Organic Light-emitting Diodes","Dalton Transactions","2023","","","","","10.1039/D3DT02264A","","","1.34139","synchrotron","","0.0211","0.0202","","","0.0501","0.0506","","","","","","1.0663","","","","has coordinates,has disorder","285997","2023-09-04","22:56:12",""
"7713898","13.7803","0.0005","15.2877","0.0005","16.8165","0.0006","103.788","0.002","104.926","0.002","107.795","0.002","3059.8","0.2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N4 Pt -","- C15 H18 N4 Pt -","- C120 H144 N32 Pt8 -","8","4","","Sookai, Sheldon; Munro, Orde Q.","Spectroscopic and computational study of the interaction of Pt(II) pyrrole-imine chelates with human serum albumin","Dalton Transactions","2023","","","","","10.1039/D3DT02039H","","","0.71073","MoKα","","0.0586","0.0327","","","0.0527","0.059","","","","","","1.004","","","","has coordinates","285998","2023-09-04","22:56:54",""
"7713899","9.0752","0.0019","12.639","0.003","18.87","0.003","108.653","0.007","90.856","0.008","96.322","0.009","2035.4","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N4 O Pt -","- C13 H14 N4 O Pt -","- C78 H84 N24 O6 Pt6 -","6","3","","Sookai, Sheldon; Munro, Orde Q.","Spectroscopic and computational study of the interaction of Pt(II) pyrrole-imine chelates with human serum albumin","Dalton Transactions","2023","","","","","10.1039/D3DT02039H","","","0.71073","MoKα","","0.0444","0.0308","","","0.0643","0.0689","","","","","","1.05","","","","has coordinates","285998","2023-09-04","22:56:54",""
"7713900","10.5624","0.0004","11.468","0.0004","12.2785","0.0005","69.033","0.001","67.372","0.001","74.129","0.001","1265.89","0.08","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Co Mo8 N10 O28 -","- C28 H40 Co Mo8 N10 O28 -","- C28 H40 Co Mo8 N10 O28 -","1","0.5","","Hao, Xinxin; Ying, Jun; Zhang, Yanping; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","Four octamolybdate compounds with properties of organic dye adsorption and photocatalytic reduction of Cr(VI)","Dalton Transactions","2023","","","","","10.1039/D3DT01976D","","","0.71073","MoKα","","0.0259","0.0239","","","0.0607","0.0626","","","","","","1.064","","","","has coordinates","286210","2023-09-05","22:55:36",""
"7713901","9.3723","0.0003","11.8323","0.0003","12.2768","0.0004","111.29","0.001","107.656","0.001","93.105","0.001","1187.9","0.06","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Mo8 N10 O28 Zn -","- C28 H40 Mo8 N10 O28 Zn -","- C28 H40 Mo8 N10 O28 Zn -","1","0.5","","Hao, Xinxin; Ying, Jun; Zhang, Yanping; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","Four octamolybdate compounds with properties of organic dye adsorption and photocatalytic reduction of Cr(VI)","Dalton Transactions","2023","","","","","10.1039/D3DT01976D","","","0.71073","MoKα","","0.0407","0.0326","","","0.0755","0.0842","","","","","","1.111","","","","has coordinates","286210","2023-09-05","22:55:36",""
"7713902","9.425","0.0003","11.8401","0.0004","12.2595","0.0004","111.012","0.001","107.653","0.001","93.415","0.001","1194.99","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Co Mo8 N10 O28 -","- C28 H40 Co Mo8 N10 O28 -","- C28 H40 Co Mo8 N10 O28 -","1","0.5","","Hao, Xinxin; Ying, Jun; Zhang, Yanping; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","Four octamolybdate compounds with properties of organic dye adsorption and photocatalytic reduction of Cr(VI)","Dalton Transactions","2023","","","","","10.1039/D3DT01976D","","","0.71073","MoKα","","0.0566","0.034","","","0.0789","0.0909","","","","","","1.01","","","","has coordinates","286210","2023-09-05","22:55:36",""
"7713903","10.3922","0.0008","13.9362","0.0012","19.317","0.0017","110.942","0.002","93.654","0.003","101.381","0.003","2533.8","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H41 Co Mo8 N10 O29 -","- C28 H41 Co Mo8 N10 O29 -","- C56 H82 Co2 Mo16 N20 O58 -","2","1","","Hao, Xinxin; Ying, Jun; Zhang, Yanping; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","Four octamolybdate compounds with properties of organic dye adsorption and photocatalytic reduction of Cr(VI)","Dalton Transactions","2023","","","","","10.1039/D3DT01976D","","","0.71073","MoKα","","0.0381","0.0338","","","0.0801","0.0845","","","","","","1.191","","","","has coordinates","286210","2023-09-05","22:55:36",""
"7713904","8.571","0.0002","15.1144","0.0004","28.7712","0.0007","90","","92.304","0.002","90","","3724.17","0.16","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Na11 O43 P7 Ta8 -","- Na11 O43 P7 Ta8 -","- Na44 O172 P28 Ta32 -","4","1","","Lv, ZY; Li, Ru-Kang","Na11Ta8P7O43: (Ta8O33) bi-capped triangular prisms connected by PO4 groups resulting in phase-matched second harmonic response","Dalton Transactions","2023","","","","","10.1039/D3DT02207B","","","0.71073","MoKα","","0.0259","0.0244","","","0.0505","0.051","","","","","","1.025","","","","has coordinates","286250","2023-09-06","22:51:35",""
"7713905","13.1665","0.0017","13.8662","0.0018","15.261","0.003","108.94","0.002","90.289","0.002","118.034","0.002","2284.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H108 Cl6 Ir2 N4 P4 Si2 -","- C99 H108 Cl6 Ir2 N4 P4 Si2 -","- C99 H108 Cl6 Ir2 N4 P4 Si2 -","1","0.5","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Palmese, Marco","Reactivity of Ir(I)-aminophosphane platforms towards oxidants","Dalton Transactions","2023","","","","","10.1039/D3DT02361C","","","0.71073","MoKα","","0.037","0.0326","","","0.0824","0.0847","","","","","","1.038","","","","has coordinates","286251","2023-09-06","22:52:57",""
"7713906","17.3156","0.0016","21.05","0.0019","14.0982","0.0013","90","","93.264","0.001","90","","5130.4","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 F6 Ir N5 O6 P2 S2 Si -","- C48 H48 F6 Ir N5 O6 P2 S2 Si -","- C192 H192 F24 Ir4 N20 O24 P8 S8 Si4 -","4","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Palmese, Marco","Reactivity of Ir(I)-aminophosphane platforms towards oxidants","Dalton Transactions","2023","","","","","10.1039/D3DT02361C","","","0.71073","MoKα","","0.0482","0.0298","","","0.0598","0.0653","","","","","","1.014","","","","has coordinates","286251","2023-09-06","22:52:57",""
"7713907","10.368","0.0008","14.127","0.0011","19.6166","0.0016","100.981","0.001","98.283","0.001","103.09","0.001","2694.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H57 Cl6 I2 Ir N2 P2 Si -","- C49 H53 Cl2 I2 Ir N2 P2 Si -","- C98 H106 Cl4 I4 Ir2 N4 P4 Si2 -","2","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Palmese, Marco","Reactivity of Ir(I)-aminophosphane platforms towards oxidants","Dalton Transactions","2023","","","","","10.1039/D3DT02361C","","","0.71073","MoKα","","0.0433","0.0372","","","0.0903","0.0949","","","","","","1.052","","","","has coordinates","286251","2023-09-06","22:52:57",""
"7713908","9.7848","0.0005","24.176","0.0013","19.451","0.001","90","","91.103","0.001","90","","4600.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H49 Cl6 Ir N2 P2 Si -","- C44.999 H48.998 Cl5.998 Ir N2 P2 Si -","- C179.996 H195.992 Cl23.992 Ir4 N8 P8 Si4 -","4","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Palmese, Marco","Reactivity of Ir(I)-aminophosphane platforms towards oxidants","Dalton Transactions","2023","","","","","10.1039/D3DT02361C","","","0.71073","MoKα","","0.0349","0.0304","","","0.0731","0.0762","","","","","","1.035","","","","has coordinates,has disorder","286251","2023-09-06","22:52:58",""
"7713909","21.602","0.009","18.519","0.008","22.985","0.01","90","","104.342","0.008","90","","8909","7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C87 H94 Cl2 F6 I3 Ir2 N4 P5 Si2 -","- C87 H94 Cl2 I3 Ir2 N4 P4 Si2 -","- C348 H376 Cl8 I12 Ir8 N16 P16 Si8 -","4","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Palmese, Marco","Reactivity of Ir(I)-aminophosphane platforms towards oxidants","Dalton Transactions","2023","","","","","10.1039/D3DT02361C","","","0.71073","MoKα","","0.0433","0.0303","","","0.07","0.0754","","","","","","1.02","","","","has coordinates","286251","2023-09-06","22:52:58",""
"7713910","13.1798","0.0015","14.1584","0.0016","12.8105","0.0015","90","","97.399","0.011","90","","2370.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl Cu N3 -","- C26 H29 Cl Cu N3 -","- C104 H116 Cl4 Cu4 N12 -","4","1","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.2849","0.0742","","","0.1535","0.2342","","","","","","0.933","","","","has coordinates","286269","2023-09-07","22:56:26",""
"7713911","10.5133","0.0013","12.5355","0.0015","17.866","0.002","90","","98.654","0.004","90","","2327.7","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Cl Cu N3 O -","- C24 H31 Cl Cu N3 O -","- C96 H124 Cl4 Cu4 N12 O4 -","4","1","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.0409","0.0354","","","0.0899","0.0935","","","","","","1.057","","","","has coordinates","286269","2023-09-07","22:56:26",""
"7713912","14.5159","0.0016","9.889","0.0011","14.8049","0.0016","90","","91.637","0.004","90","","2124.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br Cu N3 O -","- C21 H25 Br Cu N3 O -","- C84 H100 Br4 Cu4 N12 O4 -","4","1","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.0473","0.0313","","","0.0729","0.0798","","","","","","1.031","","","","has coordinates","286269","2023-09-07","22:56:26",""
"7713913","11.7265","0.0016","10.387","0.0014","18.401","0.002","90","","105.032","0.004","90","","2164.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cu N4 O S -","- C22 H25 Cu N4 O S -","- C88 H100 Cu4 N16 O4 S4 -","4","1","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.0397","0.0298","","","0.0775","0.0831","","","","","","1.048","","","","has coordinates,has disorder","286269","2023-09-07","22:56:26",""
"7713914","13.8969","0.0014","10.5381","0.0011","17.6009","0.0017","90","","108.907","0.003","90","","2438.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl3 Cu N3 -","- C24 H25 Cl3 Cu N3 -","- C96 H100 Cl12 Cu4 N12 -","4","1","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.0465","0.0324","","","0.0799","0.0867","","","","","","1.027","","","","has coordinates","286269","2023-09-07","22:56:26",""
"7713915","10.2745","0.0007","11.2131","0.0007","11.3294","0.0008","91.902","0.004","93.379","0.004","113.401","0.003","1193.52","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl4 Cu2 N12 O2 -","- C44 H54 Cl4 Cu2 N12 O2 -","- C44 H54 Cl4 Cu2 N12 O2 -","1","0.5","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.1037","0.0616","","","0.1604","0.1885","","","","","","1.021","","","","has coordinates,has disorder","286269","2023-09-07","22:56:26",""
"7713916","14.3299","0.0015","9.6126","0.001","14.9035","0.0016","90","","90.387","0.004","90","","2052.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu N3 O -","- C21 H25 Cl Cu N3 O -","- C84 H100 Cl4 Cu4 N12 O4 -","4","1","","Arruri, Sathyanarayana; Réveret, François; Jouffret, Laurent; Boyer, Damien; Chadeyron, Genevieve; Cisnetti, Federico","Polymeric copper(I)–NHC complexes with bulky bidentate (N^C) ligands: synthesis and solid-state luminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01669B","","","0.71073","MoKα","","0.0449","0.0311","","","0.0722","0.0794","","","","","","1.03","","","","has coordinates","286269","2023-09-07","22:56:27",""
"7713917","9.0854","0.0001","7.5739","0.0001","8.7525","0.0001","90","","90.086","0.001","90","","602.276","0.012","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Co F3 K O6 -","- B4 Co F3 K O6 -","- B16 Co4 F12 K4 O24 -","4","1","","Wang, Yanhong; Li, Shuang; Dou, Yalin; Li, Hui; Lu, Hongcheng","KMB4O6F3 (M = Co, Fe): Two-Dimensional Magnetic Fluorooxoborates with Triangular Lattice Directed by Triangular BO3 Unit","Dalton Transactions","2023","","","","","10.1039/D3DT02394J","","x-ray","1.54184","CuKα","","0.0352","0.0348","","","0.0824","0.0827","","","","","","1.139","","","","has coordinates","286270","2023-09-07","22:59:44",""
"7713918","9.1003","0.0003","7.6005","0.0003","8.7777","0.0003","90","","90.0865","","90","","607.12","0.04","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 F3 Fe K O6 -","- B4 F3 Fe K O6 -","- B16 F12 Fe4 K4 O24 -","4","1","","Wang, Yanhong; Li, Shuang; Dou, Yalin; Li, Hui; Lu, Hongcheng","KMB4O6F3 (M = Co, Fe): Two-Dimensional Magnetic Fluorooxoborates with Triangular Lattice Directed by Triangular BO3 Unit","Dalton Transactions","2023","","","","","10.1039/D3DT02394J","powder diffraction","","","CuKα","","","","","","","","","25.6768","2.9","","","","","","","has coordinates","286270","2023-09-07","23:00:12",""
"7713919","7.8764","0.001","7.8764","0.001","5.5355","0.0007","90","","90","","120","","297.4","0.07","273","2","273","2","","","","","","","","4","P 3","P 3","143","","","","- B2 O17 P3 Pu -","- B2 O17 P3 Pu -","- B2 O17 P3 Pu -","1","0.333333","","Sigmon, Ginger; DiBlasi, Nicole Ann; Hixon, Amy","The Crystal Chemistry of Plutonium(IV) Borophosphate","Dalton Transactions","2023","","","","","10.1039/D3DT00747B","","","0.71073","MoKα","","0.0181","0.0181","","","0.0446","0.0446","","","","","","1.085","","","","has coordinates","286271","2023-09-07","23:00:35",""
"7713920","15.7445","0.0008","17.3494","0.0009","24.9567","0.0012","95.246","0.003","98.52","0.003","107.176","0.003","6374.9","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H126 Fe2 N Nd9 O55 -","- C82 H126 Fe2 N Nd9 O55 -","- C164 H252 Fe4 N2 Nd18 O110 -","2","1","","Lu, Ying; Yang, Wen-Zhu; Ding, Xiu-Xia; Nie, Si-Qi; Jiang, Zhan-Guo; Zhan, Cai-Hong","Doping Transition Metals to Modulate the Chirality and Photocatalytic Activity of Rare Earth Clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02653A","","","1.54178","CuKα","","0.1313","0.075","","","0.1889","0.2248","","","","","","0.961","","","","has coordinates","286296","2023-09-09","22:47:10",""
"7713921","14.067","0.006","25.297","0.011","14.968","0.007","90","","111.757","0.013","90","","4947","4","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H112 Fe La6 O40 -","- C68 H112 Fe La6 O40 -","- C136 H224 Fe2 La12 O80 -","2","0.5","","Lu, Ying; Yang, Wen-Zhu; Ding, Xiu-Xia; Nie, Si-Qi; Jiang, Zhan-Guo; Zhan, Cai-Hong","Doping Transition Metals to Modulate the Chirality and Photocatalytic Activity of Rare Earth Clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02653A","","","0.71073","MoKα","","0.1234","0.0799","","","0.2032","0.2368","","","","","","1.106","","","","has coordinates","286296","2023-09-09","22:47:13",""
"7713922","14.053","0.005","25.317","0.009","14.775","0.005","90","","111.095","0.011","90","","4904","3","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H112 Co La6 O40 -","- C68 H112 Co La6 O40 -","- C136 H224 Co2 La12 O80 -","2","0.5","","Lu, Ying; Yang, Wen-Zhu; Ding, Xiu-Xia; Nie, Si-Qi; Jiang, Zhan-Guo; Zhan, Cai-Hong","Doping Transition Metals to Modulate the Chirality and Photocatalytic Activity of Rare Earth Clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02653A","","","0.71073","MoKα","","0.0969","0.0672","","","0.1835","0.2112","","","","","","1.062","","","","has coordinates","286296","2023-09-09","22:47:14",""
"7713923","14.8299","0.0012","16.978","0.0013","20.0319","0.0016","83.811","0.003","85.464","0.003","88.201","0.003","4997.2","0.7","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H116 La6 Mn O40 -","- C68 H116 La6 Mn O40 -","- C136 H232 La12 Mn2 O80 -","2","1","","Lu, Ying; Yang, Wen-Zhu; Ding, Xiu-Xia; Nie, Si-Qi; Jiang, Zhan-Guo; Zhan, Cai-Hong","Doping Transition Metals to Modulate the Chirality and Photocatalytic Activity of Rare Earth Clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02653A","","","0.71073","MoKα","","0.0321","0.0286","","","0.0728","0.0757","","","","","","1.05","","","","has coordinates","286296","2023-09-09","22:47:14",""
"7713924","9.5923","0.0001","22.6404","0.0004","23.4154","0.0003","90","","98.636","0.001","90","","5027.55","0.12","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B Br N6 O2 P2 Pt W -","- C54 H52 B Br N6 O2 P2 Pt W -","- C216 H208 B4 Br4 N24 O8 P8 Pt4 W4 -","4","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","1.54184","CuKα","","0.0452","0.0371","","","0.0925","0.0979","","","","","","1.032","","","","has coordinates","286308","2023-09-12","22:55:27",""
"7713925","20.9197","0.0003","13.80583","0.00017","34.4091","0.0006","90","","90.7607","0.0014","90","","9936.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C41 H46 B Br Cl3 N8 O2 Pt W -","- C38 H45 B Br N8 O2 Pt W -","- C304 H360 B8 Br8 N64 O16 Pt8 W8 -","8","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","1.54184","CuKα","","0.0427","0.0341","","","0.0802","0.0865","","","","","","1.04","","","","has coordinates","286308","2023-09-12","22:55:27",""
"7713926","7.9965","0.0001","24.0347","0.0003","21.97","0.0002","90","","97.63","0.001","90","","4185.11","0.08","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 B2 N11 O2 Pt W -","- C38 H49 B2 N11 O2 Pt W -","- C152 H196 B8 N44 O8 Pt4 W4 -","4","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","1.54184","CuKα","","0.037","0.0336","","","0.1285","0.134","","","","","","1.104","","","","has coordinates","286308","2023-09-12","22:55:28",""
"7713927","9.5314","0.0003","16.2298","0.0005","16.303","0.0005","91.074","0.002","103.031","0.002","93.835","0.002","2450.02","0.13","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C47 H49 B Br Cl3 N7 O2 P Pt W -","- C47 H49 B Br Cl3 N7 O2 P Pt W -","- C94 H98 B2 Br2 Cl6 N14 O4 P2 Pt2 W2 -","2","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","1.54184","CuKα","","0.0391","0.0329","","","0.0836","0.0876","","","","","","1.047","","","","has coordinates","286308","2023-09-12","22:55:28",""
"7713928","10.2377","0.0002","32.868","0.0006","14.4482","0.0003","90","","100.02","0.002","90","","4787.56","0.16","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 B Br Cl3 N8 O2 Pt W -","- C32 H48 B Br Cl3 N8 O2 Pt W -","- C128 H192 B4 Br4 Cl12 N32 O8 Pt4 W4 -","4","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","0.71073","MoKα","","0.0557","0.0449","","","0.1029","0.1094","","","","","","1.192","","","","has coordinates,has disorder","286308","2023-09-12","22:55:28",""
"7713929","9.4191","0.0002","15.8501","0.0004","16.1962","0.0004","88.182","0.002","77.516","0.002","82.34","0.002","2339.74","0.1","150.01","0.1","150.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C46 H48 B Br Cl2 N7 O2 P Pt W -","- C46 H48 B Br Cl2 N7 O2 P Pt W -","- C92 H96 B2 Br2 Cl4 N14 O4 P2 Pt2 W2 -","2","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","1.54184","CuKα","","0.049","0.0417","","","0.1045","0.1116","","","","","","1.017","","","","has coordinates","286308","2023-09-12","22:55:28",""
"7713930","9.7495","0.0003","10.3059","0.0003","10.8266","0.0002","91.834","0.002","112.263","0.002","112.03","0.003","913.81","0.05","293","0.1","293","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Dy2 N8 O20 -","- C30 H26 Dy2 N8 O20 -","- C30 H26 Dy2 N8 O20 -","1","0.5","","Armenis, Alexandros; Alexandropoulos, Dimitris; Worrell, Anne; Cunha-Silva, Luis; Dunbar, Kim R.; Stamatatos, Theocharis","Peripheral site modification in a family of dinuclear [Dy2(hynad)2-6(NO3)0-6(sol)0-2]0/2- single-molecule magnets bearing a {Dy2(μ-OR)2}4+ diamond-shaped core and exhibiting dissimilar magnetic dynamics","Dalton Transactions","2023","","","","","10.1039/D3DT02596A","","x-ray","1.54184","CuKα","","0.0288","0.0241","","","0.057","0.0596","","","","","","1.032","","","","has coordinates","286309","2023-09-12","22:56:31",""
"7713931","10.9643","0.0003","11.4838","0.0003","11.7527","0.0005","115.252","0.003","109.857","0.003","96.441","0.002","1199.95","0.09","293","0.1","293","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Dy2 N12 O24 -","- C36 H42 Dy2 N12 O24 -","- C36 H42 Dy2 N12 O24 -","1","0.5","","Armenis, Alexandros; Alexandropoulos, Dimitris; Worrell, Anne; Cunha-Silva, Luis; Dunbar, Kim R.; Stamatatos, Theocharis","Peripheral site modification in a family of dinuclear [Dy2(hynad)2-6(NO3)0-6(sol)0-2]0/2- single-molecule magnets bearing a {Dy2(μ-OR)2}4+ diamond-shaped core and exhibiting dissimilar magnetic dynamics","Dalton Transactions","2023","","","","","10.1039/D3DT02596A","","x-ray","1.54184","CuKα","","0.0369","0.0282","","","0.0651","0.0696","","","","","","1.077","","","","has coordinates","286309","2023-09-12","22:56:31",""
"7713932","10.8846","0.0005","12.5023","0.0006","14.2375","0.0006","64.886","0.004","84.877","0.003","76.325","0.004","1704.45","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Dy2 N8 O22 -","- C54 H42 Dy2 N8 O22 -","- C54 H42 Dy2 N8 O22 -","1","0.5","","Armenis, Alexandros; Alexandropoulos, Dimitris; Worrell, Anne; Cunha-Silva, Luis; Dunbar, Kim R.; Stamatatos, Theocharis","Peripheral site modification in a family of dinuclear [Dy2(hynad)2-6(NO3)0-6(sol)0-2]0/2- single-molecule magnets bearing a {Dy2(μ-OR)2}4+ diamond-shaped core and exhibiting dissimilar magnetic dynamics","Dalton Transactions","2023","","","","","10.1039/D3DT02596A","","","1.54184","CuKα","","0.0567","0.046","","","0.1325","0.1606","","","","","","0.7","","","","has coordinates,has disorder","286309","2023-09-12","22:56:32",""
"7713933","12.1938","0.0008","12.3905","0.0008","14.0035","0.0009","94.08","0.003","93.689","0.003","94.619","0.003","2098.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Dy2 N8 O22 -","- C78 H54 Dy2 N8 O22 -","- C78 H54 Dy2 N8 O22 -","1","0.5","","Armenis, Alexandros; Alexandropoulos, Dimitris; Worrell, Anne; Cunha-Silva, Luis; Dunbar, Kim R.; Stamatatos, Theocharis","Peripheral site modification in a family of dinuclear [Dy2(hynad)2-6(NO3)0-6(sol)0-2]0/2- single-molecule magnets bearing a {Dy2(μ-OR)2}4+ diamond-shaped core and exhibiting dissimilar magnetic dynamics","Dalton Transactions","2023","","","","","10.1039/D3DT02596A","","","0.71073","MoKα","","0.075","0.0714","","","0.2009","0.2032","","","","","","1.253","","","","has coordinates","286309","2023-09-12","22:56:32",""
"7713934","9.52937","0.00008","12.24923","0.00011","13.53962","0.00011","90","","93.9457","0.0007","90","","1576.7","0.02","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B N2 -","- C18 H25 B N2 -","- C72 H100 B4 N8 -","4","1","","van Ijzendoorn, Bono; Whittingham, Jessica; Whitehead, George F. S.; Kaltsoyannis, Nikolas; Mehta, Meera","A Robust Zintl Cluster for the Catalytic Reduction of Pyridines, Imines and Nitriles","Dalton Transactions","2023","","","","","10.1039/D3DT02896H","","x-ray","1.54184","CuKα","","0.0383","0.0362","","","0.0971","0.0992","","","","","","1.074","","","","has coordinates","286310","2023-09-12","22:57:13",""
"7713935","14.9715","0.0004","12.8581","0.0003","21.3987","0.0005","90","","105.047","0.003","90","","3978.12","0.18","100.03","0.13","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 B N2 Na O8 -","- C38 H66 B N2 Na O8 -","- C152 H264 B4 N8 Na4 O32 -","4","1","","van Ijzendoorn, Bono; Whittingham, Jessica; Whitehead, George F. S.; Kaltsoyannis, Nikolas; Mehta, Meera","A Robust Zintl Cluster for the Catalytic Reduction of Pyridines, Imines and Nitriles","Dalton Transactions","2023","","","","","10.1039/D3DT02896H","","x-ray","1.54184","CuKα","","0.0732","0.0443","","","0.0992","0.1115","","","","","","1.018","","","","has coordinates","286310","2023-09-12","22:57:14",""
"7713936","24.241","0.0003","21.6058","0.0003","15.7379","0.0002","90","","90","","90","","8242.67","0.19","100","0.1","100","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H46 Ag B F4 P2 Si2 -","- C42 H46 Ag B F4 P2 Si2 -","- C336 H368 Ag8 B8 F32 P16 Si16 -","8","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0384","0.0358","","","0.0983","0.1","","","","","","1.043","","","","has coordinates","286311","2023-09-12","22:59:49",""
"7713937","8.0506","0.0001","24.7054","0.0004","19.7244","0.0003","90","","95.628","0.002","90","","3904.14","0.1","288","3","288","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 P Si -","- C21 H23 P Si -","- C168 H184 P8 Si8 -","8","2","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0883","0.0806","","","0.2217","0.2325","","","","","","1.052","","","","has coordinates","286311","2023-09-12","22:59:50",""
"7713938","13.1356","0.0001","13.5082","0.0001","13.7944","0.0001","93.905","0.001","105.253","0.001","106.903","0.001","2231.52","0.03","293","7","293","7","","","","","","","","8","P -1","-P 1","2","","","","- C44 H49 B Cu F4 N P2 Si2 -","- C44 H49 B Cu F4 N P2 Si2 -","- C88 H98 B2 Cu2 F8 N2 P4 Si4 -","2","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0373","0.0347","","","0.0985","0.1006","","","","","","1.077","","","","has coordinates","286311","2023-09-12","22:59:50",""
"7713939","15.6433","0.0001","15.6433","0.0001","16.0019","0.0001","90","","90","","120","","3391.24","0.04","297.1","0.3","297.1","0.3","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C63 H69 B Cu F4 P3 S3 Si3 -","- C63 H69 B Cu F4 P3 S3 Si3 -","- C126 H138 B2 Cu2 F8 P6 S6 Si6 -","2","0.333333","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.076","0.0757","","","0.2092","0.2097","","","","","","1.078","","","","has coordinates,has disorder","286311","2023-09-12","22:59:50",""
"7713940","16.3025","0.0002","16.1615","0.0002","17.269","0.0003","90","","115.546","0.002","90","","4105.11","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl2 Cu2 P2 Si2 -","- C42 H46 Cl2 Cu2 P2 Si2 -","- C168 H184 Cl8 Cu8 P8 Si8 -","4","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0318","0.0303","","","0.0798","0.0808","","","","","","1.034","","","","has coordinates","286311","2023-09-12","22:59:50",""
"7713941","8.2983","0.0002","10.5547","0.0003","12.5094","0.0003","98.729","0.002","91.481","0.002","101.102","0.002","1060.98","0.05","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 Ag F6 P2 Sb Si2 -","- C42 H46 Ag F6 P2 Sb Si2 -","- C42 H46 Ag F6 P2 Sb Si2 -","1","0.5","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0436","0.0424","","","0.1198","0.1216","","","","","","1.108","","","","has coordinates","286311","2023-09-12","22:59:50",""
"7713942","15.6194","0.0003","22.2002","0.0004","23.7789","0.0004","90","","90","","90","","8245.4","0.3","99.98","","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Ag N O4 P2 Si2 -","- C42 H48 Ag N O4 P2 Si2 -","- C336 H384 Ag8 N8 O32 P16 Si16 -","8","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0631","0.0603","","","0.1738","0.1783","","","","","","1.073","","","","has coordinates","286311","2023-09-12","22:59:50",""
"7713943","11.7468","0.0004","5.5331","0.0001","33.9191","0.0015","90","","99.623","0.004","90","","2173.59","0.13","100.05","","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl N4 O -","- C26 H21 Cl N4 O -","- C104 H84 Cl4 N16 O4 -","4","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0927","0.0857","","","0.2315","0.2372","","","","","","1.077","","","","has coordinates","286311","2023-09-12","22:59:51",""
"7713944","9.1192","0.0004","9.4046","0.0005","16.0948","0.0008","88.489","0.004","76.363","0.004","70.182","0.004","1259.8","0.11","123","","123","2","","","","","","","","5","P -1","-P 1","2","","DB-491","","- C27 H24 O5 P2 W -","- C27 H24 O5 P2 W -","- C54 H48 O10 P4 W2 -","2","1","","Biskup, David; Schnakenburg, Gregor; Boeré, René; Espinosa Ferao, Arturo; Streubel, R.","A novel access to phosphanylidene-phosphorane complexes via P-donor substitution and a detailed bonding analysis","Dalton Transactions","2023","","","","","10.1039/D3DT02304D","","","0.71073","MoKα","","0.0432","0.0316","","","0.0689","0.0709","","","","","","0.955","","","","has coordinates","286312","2023-09-12","23:01:15",""
"7713945","9.5507","0.0004","14.6045","0.0005","20.9543","0.0007","90","","101.082","0.001","90","","2868.27","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DB-495","","- C30 H30 O5 P2 W -","- C30 H30 O5 P2 W -","- C120 H120 O20 P8 W4 -","4","1","","Biskup, David; Schnakenburg, Gregor; Boeré, René; Espinosa Ferao, Arturo; Streubel, R.","A novel access to phosphanylidene-phosphorane complexes via P-donor substitution and a detailed bonding analysis","Dalton Transactions","2023","","","","","10.1039/D3DT02304D","","x-ray","0.71073","MoKα","","0.0206","0.0204","","","0.0476","0.0477","","","","","","1.209","","","","has coordinates","286312","2023-09-12","23:01:16",""
"7713946","9.06234","0.0002","9.31754","0.00023","15.9532","0.0003","88.1908","0.0019","76.3409","0.0017","70.233","0.0018","1230.12","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","DB-565","","- C27 H24 Cr O5 P2 -","- C27 H24 Cr O5 P2 -","- C54 H48 Cr2 O10 P4 -","2","1","","Biskup, David; Schnakenburg, Gregor; Boeré, René; Espinosa Ferao, Arturo; Streubel, R.","A novel access to phosphanylidene-phosphorane complexes via P-donor substitution and a detailed bonding analysis","Dalton Transactions","2023","","","","","10.1039/D3DT02304D","","","1.54186","CuKα","","0.0297","0.029","","","0.0784","0.0789","","","","","","1.038","","","","has coordinates","286312","2023-09-12","23:01:16",""
"7713947","15.002","0.0005","15.5597","0.0005","24.3406","0.0009","90","","99.222","0.004","90","","5608.3","0.3","173.2","0.1","173.2","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N8 O20 Tb2 -","- C40 H42 N8 O20 Tb2 -","- C160 H168 N32 O80 Tb8 -","4","1","","Song, Xue-Qin; Song, Fu-Qiang; Zhang, Pei; Li, Juan","A Lanthanide Luminescence Sensor for Detection of 4-nitrophenol in Aqueous Media","Dalton Transactions","2023","","","","","10.1039/D3DT02413J","","x-ray","1.54184","CuKα","","0.0697","0.0483","","","0.1162","0.1307","","","","","","1.021","","","","has coordinates","286327","2023-09-13","22:50:32",""
"7713948","12.8705","0.0003","13.5299","0.0004","14.8535","0.0003","90","","90.67","0.002","90","","2586.36","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B Be N7 -","- C10 H10 B Be N7 -","- C80 H80 B8 Be8 N56 -","8","2","","Berthold, Chantsalmaa; Müller, Matthias; Ivlev, Sergei; Andrada, Diego M.; Buchner, Magnus Richard","Gauging ambiphilicity of pseudo-halides via beryllium-trispyrazolylborato compounds","Dalton Transactions","2023","","","","","10.1039/D3DT02857G","","x-ray","1.54186","CuKα","","0.0479","0.0351","","","0.0923","0.0963","","","","","","0.962","","","","has coordinates,has disorder","286328","2023-09-13","22:51:07",""
"7713949","8.4275","0.0003","14.7872","0.0005","10.3424","0.0004","90","","102.362","0.003","90","","1258.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Be N2 S4 -","- C6 H12 Be N2 S4 -","- C24 H48 Be4 N8 S16 -","4","1","","Berthold, Chantsalmaa; Müller, Matthias; Ivlev, Sergei; Andrada, Diego M.; Buchner, Magnus Richard","Gauging ambiphilicity of pseudo-halides via beryllium-trispyrazolylborato compounds","Dalton Transactions","2023","","","","","10.1039/D3DT02857G","","","1.54178","CuKα","","0.0409","0.0331","","","0.0861","0.0893","","","","","","1.047","","","","has coordinates","286328","2023-09-13","22:51:08",""
"7713950","16.1792","0.0009","13.4126","0.0008","8.1449","0.0006","90","","100.508","0.003","90","","1737.84","0.19","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B6 F8 H2 K5 N O11 -","- B6 F8 H2 K5 N O11 -","- B24 F32 H8 K20 N4 O44 -","4","0.5","","Zhang, Luyong; Wang, Shibin; Zhang, Fangfang; Yang, Zhihua; Hou, Xueling","K5[B3O3F4(OH)]2(NO3): the first hydroxyfluorooxoborate-nitrate with short ultraviolet cutoff edge and large birefringence","Dalton Transactions","2023","","","","","10.1039/D3DT02529B","","","0.71073","MoKα","","0.0543","0.0344","","","0.0651","0.0733","","","","","","1.042","","","","has coordinates","286329","2023-09-13","22:51:38",""
"7713951","12.3813","0.0004","14.5936","0.0004","17.3975","0.0006","90","","90","","90","","3143.51","0.17","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H18 Cl N3 O3 Zn -","- C15 H18 Cl N3 O3 Zn -","- C120 H144 Cl8 N24 O24 Zn8 -","8","1","","Das, Athulya; Sankaralingam, Muniyandi","Are Zn(II) pincer complexes efficient apoptosis inducers? A deeper insight against A549 lung cancer cells","Dalton Transactions","2023","","","","","10.1039/D3DT02419A","","","1.54178","CuKα","","0.0916","0.0641","","","0.1544","0.182","","","","","","1.096","","","","has coordinates","286347","2023-09-14","22:57:57",""
"7713952","7.818","0.003","13.426","0.006","16.796","0.007","90","","90","","90","","1763","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N3 O Zn -","- C17 H22 Cl N3 O Zn -","- C68 H88 Cl4 N12 O4 Zn4 -","4","1","","Das, Athulya; Sankaralingam, Muniyandi","Are Zn(II) pincer complexes efficient apoptosis inducers? A deeper insight against A549 lung cancer cells","Dalton Transactions","2023","","","","","10.1039/D3DT02419A","","","1.54178","CuKα","","0.0411","0.04","","","0.1092","0.11","","","","","","1.124","","","","has coordinates","286347","2023-09-14","22:57:58",""
"7713953","5.471","0.0011","12.167","0.002","50.751","0.01","90","","90","","90","","3378.3","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 N20 O8 -","- C76 H64 N20 O8 -","- C152 H128 N40 O16 -","2","0.5","","Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra","Dalton Transactions","2023","","","","","10.1039/D3DT02486E","","","0.7108","synchrotron","","0.1487","0.1236","","","0.336","0.3588","","","","","","1.07","","","","has coordinates","286360","2023-09-15","22:51:52",""
"7713954","8.3258","0.0001","13.2735","0.0002","13.4369","0.0002","64.991","0.002","86.277","0.002","73.168","0.001","1285.23","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N7 O2 -","- C32 H25 N7 O2 -","- C64 H50 N14 O4 -","2","2","","Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra","Dalton Transactions","2023","","","","","10.1039/D3DT02486E","","x-ray","0.71073","MoKα","","0.0513","0.0436","","","0.117","0.1222","","","","","","1.065","","","","has coordinates,has disorder","286360","2023-09-15","22:51:52",""
"7713955","26.3794","0.0006","14.7997","0.0002","30.8356","0.0005","90","","91.093","0.002","90","","12036.3","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C116 H99 B4 F16 Fe2 N31 O12 -","- C114 H96 B3 F12 Fe2 N30 O12 -","- C456 H384 B12 F48 Fe8 N120 O48 -","4","2","","Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra","Dalton Transactions","2023","","","","","10.1039/D3DT02486E","","","0.71073","MoKα","","0.109","0.0796","","","0.202","0.2213","","","","","","1.041","","","","has coordinates,has disorder","286360","2023-09-15","22:51:52",""
"7713956","18.4369","0.0008","19.0618","0.0008","14.3162","0.0006","90","","126.119","0.001","90","","4064.3","0.3","193","2","193","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C23 H14 N6 O8 Tb0.07 Zn1.93 -","- C23 H14 N6 O8 Tb0.064 Zn1.936 -","- C92 H56 N24 O32 Tb0.256 Zn7.744 -","4","0.5","","Wang, Zhi Gang; Ding, Tao; Fei, Jie","The gas-selective Zn-MOF exhibits selective sensing of Fe3+ ions by doping with Tb3+","Dalton Transactions","2023","","","","","10.1039/D3DT02721J","","","1.34139","GaKα","","0.057","0.0524","","","0.1592","0.1631","","","","","","1.028","","","","has coordinates,has disorder","286361","2023-09-15","22:52:51",""
"7713957","24.2346","0.0005","24.4346","0.0005","28.728","0.0008","90","","90","","90","","17011.7","0.7","173","2","173","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H39 N14 O16 Zn4 -","- C48 H39 N14 O16 Zn4 -","- C384 H312 N112 O128 Zn32 -","8","0.5","","Wang, Zhi Gang; Ding, Tao; Fei, Jie","The gas-selective Zn-MOF exhibits selective sensing of Fe3+ ions by doping with Tb3+","Dalton Transactions","2023","","","","","10.1039/D3DT02721J","","","1.54178","CuKα","","0.1469","0.0938","","","0.2536","0.2865","","","","","","0.943","","","","has coordinates,has disorder","286361","2023-09-15","22:52:51",""
"7713958","11.9219","0.0005","18.7644","0.0008","12.7482","0.0006","90","","92.549","0.002","90","","2849","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 Dy2 O20 Ti4 -","- C36 H92 Cl2 Dy2 O20 Ti4 -","- C72 H184 Cl4 Dy4 O40 Ti8 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0238","0.021","","","0.0477","0.049","","","","","","1.043","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713959","11.9118","0.0004","18.7283","0.0006","12.7532","0.0004","90","","92.6111","0.0012","90","","2842.13","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 Ho2 O20 Ti4 -","- C36 H92 Cl2 Ho2 O20 Ti4 -","- C72 H184 Cl4 Ho4 O40 Ti8 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0212","0.0206","","","0.0502","0.0505","","","","","","1.076","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713960","11.905","0.0003","18.6786","0.0005","12.7568","0.0004","90","","92.6397","0.0011","90","","2833.7","0.14","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 O20 Ti4 Yb2 -","- C36 H92 Cl2 O20 Ti4 Yb2 -","- C72 H184 Cl4 O40 Ti8 Yb4 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0284","0.0244","","","0.0562","0.0591","","","","","","1.081","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713961","11.9196","0.0004","18.7621","0.0006","12.755","0.0004","90","","92.8718","0.0013","90","","2848.9","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 O20 Ti4 Tm2 -","- C36 H92 Cl2 O20 Ti4 Tm2 -","- C72 H184 Cl4 O40 Ti8 Tm4 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0214","0.02","","","0.0504","0.0511","","","","","","1.071","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713962","11.9374","0.0004","18.9359","0.0006","12.7346","0.0004","90","","92.3995","0.0012","90","","2876.07","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 O20 Sm2 Ti4 -","- C36 H92 Cl2 O20 Sm2 Ti4 -","- C72 H184 Cl4 O40 Sm4 Ti8 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0227","0.0212","","","0.0521","0.0531","","","","","","1.047","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713963","11.9203","0.0006","18.7662","0.001","12.729","0.0007","90","","92.705","0.003","90","","2844.3","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 Er2 O20 Ti4 -","- C36 H92 Cl2 Er2 O20 Ti4 -","- C72 H184 Cl4 Er4 O40 Ti8 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0877","0.0532","","","0.1252","0.1478","","","","","","1.023","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713964","11.9091","0.0005","18.8221","0.0008","12.7415","0.0006","90","","92.592","0.002","90","","2853.1","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 O20 Tb2 Ti4 -","- C36 H92 Cl2 O20 Tb2 Ti4 -","- C72 H184 Cl4 O40 Tb4 Ti8 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0221","0.0212","","","0.052","0.0526","","","","","","1.066","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713965","11.9414","0.0005","18.8718","0.0008","12.7327","0.0005","90","","92.454","0.002","90","","2866.8","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 Gd2 O20 Ti4 -","- C36 H92 Cl2 Gd2 O20 Ti4 -","- C72 H184 Cl4 Gd4 O40 Ti8 -","2","0.5","","Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.","Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates","Dalton Transactions","2023","","","","","10.1039/D3DT02553E","","","1.54178","CuKα","","0.0198","0.0183","","","0.044","0.0448","","","","","","1.05","","","","has coordinates,has disorder","286362","2023-09-15","22:54:42",""
"7713966","17.0001","0.0003","19.0388","0.0003","30.0601","0.0005","90","","103.092","0.0016","90","","9476.4","0.3","93","","93","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C82 H112 Cl6 Mo2 N2 P4 -","- C82 H112 Cl6 Mo2 N2 P4 -","- C328 H448 Cl24 Mo8 N8 P16 -","4","0.5","","Eizawa, Aya; Arashiba, Kazuya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Design, synthesis and reactivity of dimolybdenum complex bearing quaterphenylene-bridged pyridine-based PNP-type pincer ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02887A","","","0.71073","MoKα","","0.0557","0.0405","","","0.1092","0.1139","","","","","","1.037","","","","has coordinates","286363","2023-09-15","22:55:59",""
"7713967","17.932","0.0004","19.0778","0.0004","30.6795","0.0008","90","","105.233","0.002","90","","10126.8","0.4","93","","93","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C82 H128 I6 Mo2 N2 P4 -","- C82 H128 I6 Mo2 N2 P4 -","- C328 H512 I24 Mo8 N8 P16 -","4","0.5","","Eizawa, Aya; Arashiba, Kazuya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Design, synthesis and reactivity of dimolybdenum complex bearing quaterphenylene-bridged pyridine-based PNP-type pincer ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02887A","","","0.71073","MoKα","","0.12","0.0683","","","0.1672","0.1911","","","","","","1.003","","","","has coordinates","286363","2023-09-15","22:56:00",""
"7713968","28.807","0.0012","28.1264","0.0012","7.3819","0.0003","90","","90","","90","","5981.1","0.4","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C9 H11 Cl Cu2 O10 -","- C9 H11 Cl Cu2 O10 -","- C144 H176 Cl16 Cu32 O160 -","16","1","","Ali, Arif; ., Waris; Basri, Basri; Khan, Mohammad Zain; Dege, Necmi; Ahmad, Musheer; Shahid, M.","Bifunctional Cu(II)-based 2D Coordination Polymer and its Composite for High Performance Photocatalysis and Electrochemical Energy Storage","Dalton Transactions","2023","","","","","10.1039/D3DT01691A","","","0.71073","MoKα","","0.0692","0.0555","","","0.1406","0.1534","","","","","","1.0902","","","","has coordinates","286364","2023-09-15","22:56:44",""
"7713969","11.4824","0.0007","19.6385","0.0009","11.7588","0.0008","90","","111.691","0.007","90","","2463.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N S4 -","- C26 H27 N S4 -","- C104 H108 N4 S16 -","4","1","","Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav","Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT02226A","","x-ray","0.71073","MoKα","","0.0862","0.0527","","","0.1268","0.1477","","","","","","1.049","","","","has coordinates","286417","2023-09-19","22:49:15",""
"7713970","9.1864","0.0005","10.4799","0.001","13.0998","0.001","99.642","0.007","103.11","0.005","97.023","0.006","1193.94","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Br Cu N S4 -","- C24 H23 Br Cu N S4 -","- C48 H46 Br2 Cu2 N2 S8 -","2","1","","Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav","Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT02226A","","","0.71073","MoKα","","0.0673","0.0491","","","0.1206","0.1294","","","","","","0.999","","","","has coordinates,has disorder","286417","2023-09-19","22:49:15",""
"7713971","9.141","0.0005","10.4411","0.0009","13.0328","0.0008","100.066","0.006","103.938","0.005","95.714","0.006","1175.54","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl Cu N S4 -","- C24 H23 Cl Cu N S4 -","- C48 H46 Cl2 Cu2 N2 S8 -","2","1","","Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav","Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT02226A","","","0.71073","MoKα","","0.1045","0.064","","","0.1603","0.1927","","","","","","0.982","","","","has coordinates,has disorder","286417","2023-09-19","22:49:15",""
"7713972","10.1508","0.0003","10.0144","0.0003","25.8556","0.0006","90","","96.52","0.002","90","","2611.33","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl Cu N S4 -","- C26 H27 Cl Cu N S4 -","- C104 H108 Cl4 Cu4 N4 S16 -","4","1","","Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav","Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT02226A","","","0.71073","MoKα","","0.0923","0.06","","","0.1643","0.1843","","","","","","1.099","","","","has coordinates,has disorder","286417","2023-09-19","22:49:15",""
"7713973","10.1179","0.0004","9.9871","0.0004","26.3324","0.0008","90","","97.071","0.003","90","","2640.61","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Br Cu N S4 -","- C26 H27 Br Cu N S4 -","- C104 H108 Br4 Cu4 N4 S16 -","4","1","","Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav","Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers","Dalton Transactions","2023","","","","","10.1039/D3DT02226A","","","0.71073","MoKα","","0.0733","0.0498","","","0.1221","0.1341","","","","","","1.058","","","","has coordinates,has disorder","286417","2023-09-19","22:49:16",""
"7713974","42.1187","0.0017","9.1323","0.0004","20.1316","0.0009","90","","103.171","0.004","90","","7539.7","0.6","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H43 Co N5 Se2 -","- C35 H43 Co N5 Se2 -","- C280 H344 Co8 N40 Se16 -","8","1","","Dey, Atanu; Ali, Junaid; MOORTHY, SHRUTI; Flores-Gonzalez, Jessica; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","Field Induced Single Ion Magnet Behavior in CoII Complexes in Distorted Square Pyramidal Geometry","Dalton Transactions","2023","","","","","10.1039/D3DT01769A","","x-ray","0.71073","MoKα","","0.0884","0.0455","","","0.1236","0.1421","","","","","","0.96","","","","has coordinates","286418","2023-09-19","22:50:24",""
"7713975","8.7366","0.0003","9.9079","0.0003","20.9732","0.0005","84.262","0.002","88.202","0.002","65.478","0.003","1643.34","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 Cl2 Co N3 O -","- C33 H45 Cl2 Co N3 O -","- C66 H90 Cl4 Co2 N6 O2 -","2","1","","Dey, Atanu; Ali, Junaid; MOORTHY, SHRUTI; Flores-Gonzalez, Jessica; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","Field Induced Single Ion Magnet Behavior in CoII Complexes in Distorted Square Pyramidal Geometry","Dalton Transactions","2023","","","","","10.1039/D3DT01769A","","x-ray","0.71073","MoKα","","0.0498","0.0396","","","0.1033","0.1087","","","","","","1.052","","","","has coordinates","286418","2023-09-19","22:50:24",""
"7713976","8.705","0.0004","10.0376","0.0006","20.8391","0.0008","83.553","0.004","88.087","0.004","65.722","0.005","1649.17","0.15","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 Br2 Co N3 O -","- C33 H45 Br2 Co N3 O -","- C66 H90 Br4 Co2 N6 O2 -","2","1","","Dey, Atanu; Ali, Junaid; MOORTHY, SHRUTI; Flores-Gonzalez, Jessica; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","Field Induced Single Ion Magnet Behavior in CoII Complexes in Distorted Square Pyramidal Geometry","Dalton Transactions","2023","","","","","10.1039/D3DT01769A","","x-ray","0.71073","MoKα","","0.1226","0.065","","","0.1558","0.1761","","","","","","1.016","","","","has coordinates","286418","2023-09-19","22:50:25",""
"7713977","21.6669","0.0017","12.5249","0.0011","12.9279","0.0011","90","","120.374","0.003","90","","3026.8","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Cl2 Mn N5 O9 -","- C29 H26 Cl2 Mn N5 O9 -","- C116 H104 Cl8 Mn4 N20 O36 -","4","0.5","","Jia, Shuwen; Zhu, Xinrui; Li, Dongfeng","Observation of protonation-induced intra-molecular metal-to-metal charge transfer in cyano-bridged [Fe−CN−Mn/Ni] dinuclear complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02200E","","x-ray","1.34139","Synchrotron","GaKα","0.0939","0.083","","","0.2294","0.2473","","","","","","1.119","","","","has coordinates","286419","2023-09-19","22:51:35",""
"7713978","21.388","0.004","12.49","0.002","12.86","0.002","90","","120.023","0.007","90","","2974.4","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Cl2 N5 Ni O9 -","- C29 H26 Cl2 N5 Ni O9 -","- C116 H104 Cl8 N20 Ni4 O36 -","4","0.5","","Jia, Shuwen; Zhu, Xinrui; Li, Dongfeng","Observation of protonation-induced intra-molecular metal-to-metal charge transfer in cyano-bridged [Fe−CN−Mn/Ni] dinuclear complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02200E","","","1.34139","GaKα","","0.054","0.0448","","","0.1236","0.13","","","","","","1.08","","","","has coordinates","286419","2023-09-19","22:51:36",""
"7713979","13.4824","0.0011","14.1597","0.0012","25.064","0.002","90","","102.266","0.004","90","","4675.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H36 Fe N13 Ni -","- C51 H36 Fe N13 Ni -","- C204 H144 Fe4 N52 Ni4 -","4","1","","Jia, Shuwen; Zhu, Xinrui; Li, Dongfeng","Observation of protonation-induced intra-molecular metal-to-metal charge transfer in cyano-bridged [Fe−CN−Mn/Ni] dinuclear complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02200E","","","1.34139","GaKα","","0.0872","0.0724","","","0.1752","0.1822","","","","","","1.075","","","","has coordinates","286419","2023-09-19","22:51:36",""
"7713980","13.5811","0.0008","14.177","0.0008","25.3009","0.0015","90","","102.372","0.002","90","","4758.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H36 Fe Mn N13 -","- C51 H36 Fe Mn N13 -","- C204 H144 Fe4 Mn4 N52 -","4","1","","Jia, Shuwen; Zhu, Xinrui; Li, Dongfeng","Observation of protonation-induced intra-molecular metal-to-metal charge transfer in cyano-bridged [Fe−CN−Mn/Ni] dinuclear complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02200E","","x-ray","1.34139","Synchrotron","GaKα","0.0574","0.0461","","","0.1131","0.1188","","","","","","1.056","","","","has coordinates","286419","2023-09-19","22:51:36",""
"7713981","11.6902","0.0018","13.315","0.002","14.484","0.002","109.871","0.004","100.733","0.004","109.062","0.004","1888.6","0.5","150.01","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 Br4 Cl2 Co2 N2 P2 -","- C31 H40 Br4 Cl2 Co2 N2 P2 -","- C62 H80 Br8 Cl4 Co4 N4 P4 -","2","1","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.1021","0.058","","","0.1408","0.1644","","","","","","1.03","","","","has coordinates","286420","2023-09-19","22:53:15",""
"7713982","11.482","0.002","20.26","0.005","15.511","0.003","90","","107.439","0.005","90","","3442.4","1.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Br2 Cl2 N2 Ni P2 -","- C31 H42 Br2 Cl2 N2 Ni P2 -","- C124 H168 Br8 Cl8 N8 Ni4 P8 -","4","1","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.102","0.0473","","","0.0853","0.1015","","","","","","1.008","","","","has coordinates","286420","2023-09-19","22:53:16",""
"7713983","10.6093","0.0005","10.7482","0.0005","15.4756","0.0008","108.104","0.003","98.41","0.003","91.115","0.003","1655.34","0.14","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br4 N2 Ni2 P2 -","- C30 H40 Br4 N2 Ni2 P2 -","- C60 H80 Br8 N4 Ni4 P4 -","2","1","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.0583","0.0341","","","0.0645","0.0727","","","","","","1.051","","","","has coordinates","286420","2023-09-19","22:53:16",""
"7713984","10.4908","0.0008","12.7615","0.0009","13.16","0.0012","90","","90.251","0.005","90","","1761.8","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Br2 Fe N P -","- C15 H20 Br2 Fe N P -","- C60 H80 Br8 Fe4 N4 P4 -","4","1","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.083","0.0443","","","0.0909","0.1064","","","","","","1.016","","","","has coordinates","286420","2023-09-19","22:53:16",""
"7713985","21.7708","0.0017","22.4926","0.0019","24.322","0.002","90","","90","","90","","11910","1.7","150","","150","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15 H20 Br0.5 Co0.5 N P -","- C15 H20 Br0.5 Co0.5 N P -","- C480 H640 Br16 Co16 N32 P32 -","32","1","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.0571","0.0322","","","0.0643","0.075","","","","","","1.011","","","","has coordinates","286420","2023-09-19","22:53:16",""
"7713986","15.101","0.002","15.101","0.002","12.0727","0.0017","90","","90","","120","","2384.2","0.6","149.99","","149.99","","","","","","","","","5","P 63","P 6c","173","","","","- C45 H60 N3 Ni3 P3 -","- C45 H60 N3 Ni3 P3 -","- C90 H120 N6 Ni6 P6 -","2","0.333333","","SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey","Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction","Dalton Transactions","2023","","","","","10.1039/D3DT02441E","","","0.71073","MoKα","","0.0726","0.0489","","","0.0995","0.128","","","","","","0.901","","","","has coordinates","286420","2023-09-19","22:53:16",""
"7713987","24.0544","0.0017","12.1363","0.0008","13.6142","0.0011","90","","90","","90","","3974.4","0.5","115","2","115","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H59 N3 Si6 U -","- C26 H59 N3 Si6 U -","- C104 H236 N12 Si24 U4 -","4","1","","Nguyen, Thien H.; Pauly, Christophe; Kent, Greggory; Wu, Guang; Hayton, Trevor W.","Dimerization and Ring-opening in Bis(diisopropylamino)cyclopropenylidene (BAC) Mediated by [U(NR2)3(CCPh)] (R = SiMe3)","Dalton Transactions","2023","","","","","10.1039/D3DT02741D","","","0.71073","MoKα","","0.0602","0.0426","","","0.0748","0.0792","","","","","","0.996","","","","has coordinates","286421","2023-09-19","22:54:30",""
"7713988","13.9806","0.0013","14.0897","0.0011","18.1942","0.0015","88.917","0.004","88.43","0.004","89.36","0.004","3581.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H121 N7 Si6 U -","- C58.5 H115 N7 Si6 U -","- C117 H230 N14 Si12 U2 -","2","1","","Nguyen, Thien H.; Pauly, Christophe; Kent, Greggory; Wu, Guang; Hayton, Trevor W.","Dimerization and Ring-opening in Bis(diisopropylamino)cyclopropenylidene (BAC) Mediated by [U(NR2)3(CCPh)] (R = SiMe3)","Dalton Transactions","2023","","","","","10.1039/D3DT02741D","","","0.71073","MoKα","","0.0676","0.0489","","","0.1093","0.1181","","","","","","0.988","","","","has coordinates","286421","2023-09-19","22:54:30",""
"7713989","19.4449","0.0004","14.387","0.0003","13.5165","0.0003","90","","106.473","0.002","90","","3626.08","0.14","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Co0.51 N4 O12 S3 Zn1.49 -","- C36 H30 Co0.506 N4 O12 S3 Zn1.494 -","- C144 H120 Co2.024 N16 O48 S12 Zn5.976 -","4","0.5","","Pérez, Ana Laura; Kemmerer, Axel; Zapata, Alejandro J.; Sartoris, Rosana; Gonzalez, Pablo; Urteaga, Raul; Baggio, Ricardo; Suarez, Sebastian; Ramos, Carlos; Dalosto, Sergio; Rizzi, Alberto C.; Brondino, Carlos D.","Synthesis, structure, and characterisation of a ferromagnetically coupled dinuclear complex containing Co(II) ions in high spin configuration and thiodiacetate and phenanthroline as ligands and of a series of isomorphous heterodinuclear complexes containing different Co:Zn ratios","Dalton Transactions","2023","","","","","10.1039/D3DT02115G","","","0.71073","MoKα","","0.0412","0.0307","","","0.0652","0.0704","","","","","","1.046","","","","has coordinates","286422","2023-09-19","22:55:31",""
"7713990","19.3669","0.0008","14.3494","0.0005","13.5022","0.0005","90","","106.231","0.004","90","","3602.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Co1.11 N4 O12 S3 Zn0.89 -","- C36 H30 Co1.11 N4 O12 S3 Zn0.89 -","- C144 H120 Co4.44 N16 O48 S12 Zn3.56 -","4","0.5","","Pérez, Ana Laura; Kemmerer, Axel; Zapata, Alejandro J.; Sartoris, Rosana; Gonzalez, Pablo; Urteaga, Raul; Baggio, Ricardo; Suarez, Sebastian; Ramos, Carlos; Dalosto, Sergio; Rizzi, Alberto C.; Brondino, Carlos D.","Synthesis, structure, and characterisation of a ferromagnetically coupled dinuclear complex containing Co(II) ions in high spin configuration and thiodiacetate and phenanthroline as ligands and of a series of isomorphous heterodinuclear complexes containing different Co:Zn ratios","Dalton Transactions","2023","","","","","10.1039/D3DT02115G","","","0.71073","MoKα","","0.0286","0.0239","","","0.0574","0.06","","","","","","1.049","","","","has coordinates","286422","2023-09-19","22:55:31",""
"7713991","19.3064","0.0007","14.3531","0.0005","13.5255","0.0004","90","","105.974","0.005","90","","3603.3","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Co2 N4 O12 S3 -","- C36 H30 Co2 N4 O12 S3 -","- C144 H120 Co8 N16 O48 S12 -","4","0.5","","Pérez, Ana Laura; Kemmerer, Axel; Zapata, Alejandro J.; Sartoris, Rosana; Gonzalez, Pablo; Urteaga, Raul; Baggio, Ricardo; Suarez, Sebastian; Ramos, Carlos; Dalosto, Sergio; Rizzi, Alberto C.; Brondino, Carlos D.","Synthesis, structure, and characterisation of a ferromagnetically coupled dinuclear complex containing Co(II) ions in high spin configuration and thiodiacetate and phenanthroline as ligands and of a series of isomorphous heterodinuclear complexes containing different Co:Zn ratios","Dalton Transactions","2023","","","","","10.1039/D3DT02115G","","","0.71073","MoKα","","0.0455","0.0339","","","0.0752","0.0795","","","","","","1.389","","","","has coordinates","286422","2023-09-19","22:55:32",""
"7713992","11.5122","0.0006","12.5503","0.0007","15.0198","0.0007","100.619","0.004","98.708","0.004","103.62","0.004","2029.38","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Cu2 N8 O5 -","- C52 H34 Cu2 N8 O5 -","- C104 H68 Cu4 N16 O10 -","2","1","","Raj, Manaswini; Makhal, Koushik; Raj, Dev; Mishra, Aman; Mallik, Bhabani S.; Padhi, Sumanta Kumar","Electrocatalytic Hydrogen Evolution by a Dinuclear Copper Complex and Mechanistic Elucidation through DFT Studies","Dalton Transactions","2023","","","","","10.1039/D3DT02733C","","x-ray","0.71073","MoKα","","0.0856","0.0434","","","0.0939","0.1084","","","","","","1.0308","","","","has coordinates","286423","2023-09-19","22:56:08",""
"7713993","15.649","0.007","12.876","0.006","17.677","0.008","90","","107.059","0.008","90","","3405","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41.5 Co2 N5 O10.75 -","- C24 H22 Co2 N3 O8 -","- C96 H88 Co8 N12 O32 -","4","1","","Xie, Wei; Yuan, Yuan; Wang, Jia-Jun; Zhang, Shuran; Xu, Guangjuan; Jiang, Nan; Xu, Yanhong; Su, Zhong-Min","Co-based MOF heterogeneous catalyst for efficient degradation of organic dye via peroxymonosulfate activation","Dalton Transactions","2023","","","","","10.1039/D3DT01783D","","","0.71073","MoKα","","0.088","0.0677","","","0.1872","0.2006","","","","","","1.086","","","","has coordinates","286438","2023-09-20","22:50:47",""
"7713994","10.884","0.003","11.985","0.003","14.161","0.003","67.451","0.005","86.387","0.005","79.182","0.005","1675.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","complex A","","","- C35 H28 Cl4 Ir N3 O -","- C35 H28 Cl4 Ir N3 O -","- C70 H56 Cl8 Ir2 N6 O2 -","2","1","","Tu, Jing; Veclani, Daniele; Monti, Filippo; Mazzanti, Andrea; Sambri, Letizia; Armaroli, Nicola; Baschieri, Andrea","Unexpected reactivity of cyclometalated iridium(III) dimers. Direct synthesis of a mononuclear luminescent complex","Dalton Transactions","2023","","","","","10.1039/D3DT02689B","","","0.71073","MoKα","","0.0783","0.0593","","","0.1382","0.1475","","","","","","1.057","","","","has coordinates","286439","2023-09-20","22:51:11",""
"7713995","11.7382","0.0005","25.0335","0.0013","15.6517","0.0006","90","","105.334","0.003","90","","4435.5","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H19 Au2 F20 N3 Pb -","- C46 H19 Au2 F20 N3 Pb -","- C184 H76 Au8 F80 N12 Pb4 -","4","1","","Moreno, Sonia; Royo, David; El Hachimi, Abdel Ghafour; Rodríguez-Castillo, María; Monge, Miguel; Olmos, Maria Elena; López-de-Luzuriaga, José Maria","Vapochromic Behaviour of a Gold(I)-Lead(II) complex as a VOC sensor","Dalton Transactions","2023","","","","","10.1039/D3DT02000B","","","0.71073","MoKα","","0.0566","0.0435","","","0.086","0.091","","","","","","1.002","","","","has coordinates","286453","2023-09-21","22:53:44",""
"7713996","9.4745","0.001","14.2971","0.0015","17.8209","0.0017","107.528","0.003","94.633","0.003","93.988","0.004","2283.2","0.4","138.4","","138.4","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H27 Au2 F20 N3 O2 Pb -","- C47 H27 Au2 F20 N3 O2 Pb -","- C94 H54 Au4 F40 N6 O4 Pb2 -","2","1","","Moreno, Sonia; Royo, David; El Hachimi, Abdel Ghafour; Rodríguez-Castillo, María; Monge, Miguel; Olmos, Maria Elena; López-de-Luzuriaga, José Maria","Vapochromic Behaviour of a Gold(I)-Lead(II) complex as a VOC sensor","Dalton Transactions","2023","","","","","10.1039/D3DT02000B","","","0.71073","MoKα","","0.0348","0.023","","","0.0433","0.0462","","","","","","1.059","","","","has coordinates,has disorder","286453","2023-09-21","22:53:45",""
"7713997","13.3822","0.0011","16.9843","0.0016","20.4646","0.0018","69.099","0.003","77.706","0.004","88.931","0.004","4237.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H17 Au2 F20 N5 Pb -","- C43 H17 Au2 F20 N5 Pb -","- C172 H68 Au8 F80 N20 Pb4 -","4","2","","Moreno, Sonia; Royo, David; El Hachimi, Abdel Ghafour; Rodríguez-Castillo, María; Monge, Miguel; Olmos, Maria Elena; López-de-Luzuriaga, José Maria","Vapochromic Behaviour of a Gold(I)-Lead(II) complex as a VOC sensor","Dalton Transactions","2023","","","","","10.1039/D3DT02000B","","","0.71073","MoKα","","0.0574","0.0357","","","0.0918","0.1024","","","","","","1.08","","","","has coordinates","286453","2023-09-21","22:53:45",""
"7713998","10.9321","0.0003","25.148","0.0007","40.0049","0.0011","90","","93.586","0.002","90","","10976.6","0.5","108","","108","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C52 H34 Cl F6 N5 O5 S2 Tb -","- C52 H34 Cl F6 N5 O5 S2 Tb -","- C416 H272 Cl8 F48 N40 O40 S16 Tb8 -","8","1","","Ahmed, Toushique; Chakraborty, Amit; Paul, Animesh; Baitalik, Sujoy","Synthesis, characterization, luminescence properties and deciphering the role of a terpyridyl-imidazole based ligand in the dissimilar luminescence sensitization of ternary lanthanide(iii) tris-(β-diketonate) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01701J","","","1.54178","CuKα","","0.1427","0.1276","","","0.2638","0.2719","","","","","","1.165","","","","has coordinates","286454","2023-09-21","22:54:21",""
"7713999","11.5065","0.0011","7.5925","0.0005","15.0274","0.0014","90","","104.919","0.008","90","","1268.59","0.19","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Diisopropyl-4,5-dimethylimidazolium chloride","","- C11 H21 Cl N2 -","- C11 H21 Cl N2 -","- C44 H84 Cl4 N8 -","4","1","","Buchner, Magnus Richard; Bekiş, Deniz F.","Reactivity of free N-heterocyclic carbenes in dichloromethane","Dalton Transactions","2023","","","","","10.1039/D3DT02702C","","x-ray","1.54178","CuKα","","0.0568","0.0462","","","0.1223","0.1274","","","","","","1.05","","","","has coordinates,has disorder","286455","2023-09-21","22:54:44",""
"7714000","9.2334","0.0005","9.4545","0.0004","14.1066","0.0007","79.145","0.004","84.64","0.004","65.658","0.004","1101.74","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Eu N O13 -","- C21 H16 Eu N O13 -","- C42 H32 Eu2 N2 O26 -","2","1","","Chen, Ying-Jun; Dou, Chang-Xun; Yin, Pei-Pei; Chen, Jun-Ting; Yang, Xiao-Gang; Li, Bo; Ma, Lufang; Wang, Liya","U-type π-conjugated phosphorescent ligand sensitized lanthanide metal–organic frameworks for efficient white-light-emitting diode","Dalton Transactions","2023","","","","","10.1039/D3DT01869E","","x-ray","0.71073","MoKα","","0.0335","0.0302","","","0.0632","0.0657","","","","","","1.044","","","","has coordinates","286457","2023-09-21","22:55:58",""
"7714001","9.2225","0.0005","9.4553","0.0005","14.1239","0.0006","79.147","0.004","84.538","0.004","65.581","0.005","1101.19","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Gd N O13 -","- C21 H16 Gd N O13 -","- C42 H32 Gd2 N2 O26 -","2","1","","Chen, Ying-Jun; Dou, Chang-Xun; Yin, Pei-Pei; Chen, Jun-Ting; Yang, Xiao-Gang; Li, Bo; Ma, Lufang; Wang, Liya","U-type π-conjugated phosphorescent ligand sensitized lanthanide metal–organic frameworks for efficient white-light-emitting diode","Dalton Transactions","2023","","","","","10.1039/D3DT01869E","","x-ray","0.71073","MoKα","","0.0328","0.0293","","","0.0606","0.0626","","","","","","1.031","","","","has coordinates","286457","2023-09-21","22:56:01",""
"7714002","9.1936","0.0005","9.4195","0.0004","14.1041","0.0006","79.17","0.004","84.543","0.004","65.593","0.005","1092.23","0.1","294.5","","294.5","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N O13 Tb -","- C21 H16 N O13 Tb -","- C42 H32 N2 O26 Tb2 -","2","1","","Chen, Ying-Jun; Dou, Chang-Xun; Yin, Pei-Pei; Chen, Jun-Ting; Yang, Xiao-Gang; Li, Bo; Ma, Lufang; Wang, Liya","U-type π-conjugated phosphorescent ligand sensitized lanthanide metal–organic frameworks for efficient white-light-emitting diode","Dalton Transactions","2023","","","","","10.1039/D3DT01869E","","x-ray","0.71073","MoKα","","0.0351","0.0313","","","0.0556","0.0583","","","","","","1.038","","","","has coordinates","286457","2023-09-21","22:56:01",""
"7714003","13.1733","0.001","21.389","0.002","16.5014","0.001","90","","90","","90","","4649.5","0.6","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 N2 O10 -","- C21 H13 N O10 -","- C168 H104 N8 O80 -","8","1","","Chen, Ying-Jun; Dou, Chang-Xun; Yin, Pei-Pei; Chen, Jun-Ting; Yang, Xiao-Gang; Li, Bo; Ma, Lufang; Wang, Liya","U-type π-conjugated phosphorescent ligand sensitized lanthanide metal–organic frameworks for efficient white-light-emitting diode","Dalton Transactions","2023","","","","","10.1039/D3DT01869E","","","0.71073","MoKα","","0.1238","0.0818","","","0.2146","0.2473","","","","","","1.0551","","","","has coordinates","286457","2023-09-21","22:56:01",""
"7714004","10.4535","0.0006","14.248","0.0007","16.8455","0.001","108.465","0.002","97.843","0.002","111.063","0.001","2130.2","0.2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H41.5 Cl Cu N4.5 P2 -","- C50 H40 Cl Cu N4.5 P2 -","- C100 H80 Cl2 Cu2 N9 P4 -","2","1","","Gusev, Alexey N.; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail A.; Ali, Amjad; Baryshnikov, Glib; Linert, Wolfgang","Mononuclear copper(I) complexes bearing 3-phenyl-5-(pyridin-4-yl)-1, 2, 4-triazole ligand: synthesis, crystal structure, TADF-luminescence, and mechanochromic effects","Dalton Transactions","2023","","","","","10.1039/D3DT02633G","","","0.71073","MoKα","","0.0637","0.0496","","","0.1125","0.1246","","","","","","1.014","","","","has coordinates","286474","2023-09-22","22:52:42",""
"7714005","11.0522","0.0009","13.1316","0.0009","17.1379","0.0013","112.504","0.002","96.207","0.003","102.344","0.003","2194.5","0.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C99 H81.5 Br2 Cu2 N8.5 P4 -","- C99 H80 Br2 Cu2 N8.5 P4 -","- C99 H80 Br2 Cu2 N8.5 P4 -","1","0.5","","Gusev, Alexey N.; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail A.; Ali, Amjad; Baryshnikov, Glib; Linert, Wolfgang","Mononuclear copper(I) complexes bearing 3-phenyl-5-(pyridin-4-yl)-1, 2, 4-triazole ligand: synthesis, crystal structure, TADF-luminescence, and mechanochromic effects","Dalton Transactions","2023","","","","","10.1039/D3DT02633G","","","0.71073","MoKα","","0.1127","0.0553","","","0.0988","0.1276","","","","","","1.023","","","","has coordinates","286474","2023-09-22","22:52:42",""
"7714006","11.13","0.003","13.148","0.004","17.218","0.007","67.595","0.005","73.923","0.011","77.448","0.009","2220.5","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 Cu I N4 P2 -","- C49 H40 Cu I N4 P2 -","- C98 H80 Cu2 I2 N8 P4 -","2","1","","Gusev, Alexey N.; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail A.; Ali, Amjad; Baryshnikov, Glib; Linert, Wolfgang","Mononuclear copper(I) complexes bearing 3-phenyl-5-(pyridin-4-yl)-1, 2, 4-triazole ligand: synthesis, crystal structure, TADF-luminescence, and mechanochromic effects","Dalton Transactions","2023","","","","","10.1039/D3DT02633G","","","0.71073","MoKα","","0.0357","0.0298","","","0.0728","0.0755","","","","","","1.035","","","","has coordinates","286474","2023-09-22","22:52:43",""
"7714007","11.3225","0.0003","13.0447","0.0004","15.7577","0.0005","90","","109.276","0.003","90","","2196.92","0.12","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 Cu2 N4 O8 -","- C18 H18 Cl2 Cu2 N4 O8 -","- C72 H72 Cl8 Cu8 N16 O32 -","4","1","","Maekawa, Masahiko; Hayashi, Terumasa; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, T.","Structural diversity of copper(I) ethylene complexes with 2,4-bis(2-pyridyl)pyrimidine directed by anions","Dalton Transactions","2023","","","","","10.1039/D3DT02618C","","","0.71073","MoKα","","0.0462","0.0381","","","0.1009","0.108","","","","","","1.072","","","","has coordinates","286475","2023-09-22","22:53:54",""
"7714008","9.3576","0.0003","10.9852","0.0006","11.9635","0.0007","64.609","0.005","67.153","0.004","84.922","0.004","1019.33","0.11","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu2 N6 O6 -","- C18 H18 Cu2 N6 O6 -","- C36 H36 Cu4 N12 O12 -","2","1","","Maekawa, Masahiko; Hayashi, Terumasa; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, T.","Structural diversity of copper(I) ethylene complexes with 2,4-bis(2-pyridyl)pyrimidine directed by anions","Dalton Transactions","2023","","","","","10.1039/D3DT02618C","","","0.71073","MoKα","","0.0396","0.0325","","","0.0827","0.0855","","","","","","1.048","","","","has coordinates","286475","2023-09-22","22:53:55",""
"7714009","11.1296","0.0004","12.9401","0.0004","15.7337","0.0007","90","","109.055","0.004","90","","2141.78","0.15","97.15","","97.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B2 Cu2 F8 N4 -","- C18 H18 B2 Cu2 F8 N4 -","- C72 H72 B8 Cu8 F32 N16 -","4","1","","Maekawa, Masahiko; Hayashi, Terumasa; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, T.","Structural diversity of copper(I) ethylene complexes with 2,4-bis(2-pyridyl)pyrimidine directed by anions","Dalton Transactions","2023","","","","","10.1039/D3DT02618C","","","0.71073","MoKα","","0.0355","0.0306","","","0.0753","0.0776","","","","","","1.031","","","","has coordinates","286475","2023-09-22","22:53:55",""
"7714010","22.7929","0.0006","11.373","0.0002","29.0946","0.0007","90","","109.594","0.003","90","","7105.3","0.3","97.15","","97.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H52 B6 Cu6 F24 N16 -","- C62 H52 B6 Cu6 F24 N16 -","- C248 H208 B24 Cu24 F96 N64 -","4","0.5","","Maekawa, Masahiko; Hayashi, Terumasa; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, T.","Structural diversity of copper(I) ethylene complexes with 2,4-bis(2-pyridyl)pyrimidine directed by anions","Dalton Transactions","2023","","","","","10.1039/D3DT02618C","","","0.71073","MoKα","","0.0408","0.0356","","","0.0919","0.0944","","","","","","1.041","","","","has coordinates","286475","2023-09-22","22:53:56",""
"7714011","14.7963","0.0008","8.2883","0.0004","25.5819","0.0013","90","","94.607","0.002","90","","3127.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Cl Co N10 O7 -","- C24 H35 Cl Co N10 O7 -","- C96 H140 Cl4 Co4 N40 O28 -","4","1","","Samanta, Bapan; Ghosh, Riya; Mazumdar, Rakesh; Saha, Shankhadeep; Maity, Sayani; Mondal, Biplab","Reaction of a Co(III)-peroxo Complex with Nitric Oxide: Putative Formation of a Peroxynitrite Intermediate","Dalton Transactions","2023","","","","","10.1039/D3DT02261G","","","0.71073","MoKα","","0.0703","0.0532","","","0.1124","0.1236","","","","","","1.102","","","","has coordinates","286476","2023-09-22","22:54:47",""
"7714012","12.8427","0.0006","12.6406","0.0006","20.2239","0.0009","90","","106.485","0.001","90","","3148.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 Co N8 O10 -","- C22 H36 Cl2 Co N8 O10 -","- C88 H144 Cl8 Co4 N32 O40 -","4","1","","Samanta, Bapan; Ghosh, Riya; Mazumdar, Rakesh; Saha, Shankhadeep; Maity, Sayani; Mondal, Biplab","Reaction of a Co(III)-peroxo Complex with Nitric Oxide: Putative Formation of a Peroxynitrite Intermediate","Dalton Transactions","2023","","","","","10.1039/D3DT02261G","","","0.71073","MoKα","","0.0736","0.056","","","0.1517","0.1757","","","","","","1.013","","","","has coordinates","286476","2023-09-22","22:54:47",""
"7714013","5.4662","0.0006","5.4662","0.0006","7.7027","0.0011","90","","90","","120","","199.32","0.04","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- K2 O8 P2 Rb Sc -","- K2 O8 P2 Rb Sc -","- K2 O8 P2 Rb Sc -","1","0.0833333","","Zhou, Jingfang; Gong, Pifu; Xia, Mingjun; Wu, Qian","Co-substitution Design: A New Glaserite-type Rare-earth Phosphate K2RbSc(PO4)2 with High Structural Tolerance","Dalton Transactions","2023","","","","","10.1039/D3DT02494F","","","0.71073","MoKα","","0.0631","0.0553","","","0.121","0.1256","","","","","","1.182","","","","has coordinates","286477","2023-09-22","22:55:10",""
"7714014","22.6612","0.0006","22.6612","0.0006","10.498","0.0004","90","","90","","90","","5391","0.3","295.34","0.11","295.34","0.11","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Ba4 Br In19 S32 -","- Ba4 Br In19 S32 -","- Ba16 Br4 In76 S128 -","4","0.125","","Tang, Chunlan; Xing, Wen-Hao; Liang, Fei; Tang, Jian; Wu, Jieyun; Yin, Wenlong; Bin, Kang","[Ba4X][In19S32] (X = Cl, Br): two quaternary metal chalcohalides exhibiting remarkable photocurrent responses","Dalton Transactions","2023","","","","","10.1039/D3DT02766J","","x-ray","0.71073","MoKα","","0.0174","0.0149","","","0.0275","0.028","","","","","","1.027","","","","has coordinates","286491","2023-09-23","22:46:28",""
"7714015","22.6105","0.0006","22.6105","0.0006","10.4904","0.0004","90","","90","","90","","5363.1","0.3","295.4","0.3","295.4","0.3","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Ba4 Cl In19 S32 -","- Ba4 Cl In19 S32 -","- Ba16 Cl4 In76 S128 -","4","0.125","","Tang, Chunlan; Xing, Wen-Hao; Liang, Fei; Tang, Jian; Wu, Jieyun; Yin, Wenlong; Bin, Kang","[Ba4X][In19S32] (X = Cl, Br): two quaternary metal chalcohalides exhibiting remarkable photocurrent responses","Dalton Transactions","2023","","","","","10.1039/D3DT02766J","","x-ray","0.71073","MoKα","","0.018","0.0171","","","0.0421","0.0424","","","","","","1.238","","","","has coordinates","286491","2023-09-23","22:46:29",""
"7714016","8.9968","0.0011","8.5684","0.0011","16.2469","0.0018","90","","90","","90","","1252.4","0.3","295.74","0.1","295.74","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cd N14 -","- C8 H8 Cd N14 -","- C32 H32 Cd4 N56 -","4","0.5","","Xie, Haohui; Weng, Jiao-Lin; Song, Ji-Xing; Yang, Wen-Jing; Wang, Qin; Cui, Meng; Zheng, Fa-Kun; Qiu, Renhui; Xu, Jian-Gang","Refinement of the sensitive azides via in situ generated azole-based metal−organic frameworks towards stable energetic materials","Dalton Transactions","2023","","","","","10.1039/D3DT01804K","","x-ray","0.71073","MoKα","","0.0587","0.0348","","","0.077","0.0851","","","","","","1.037","","","","has coordinates","286492","2023-09-23","22:47:05",""
"7714017","7.5758","0.0005","9.6474","0.0007","11.2541","0.0006","90","","94.383","0.006","90","","820.12","0.09","295.41","0.1","295.41","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Br N7 Zn -","- C4 H4 Br N7 Zn -","- C16 H16 Br4 N28 Zn4 -","4","1","","Xie, Haohui; Weng, Jiao-Lin; Song, Ji-Xing; Yang, Wen-Jing; Wang, Qin; Cui, Meng; Zheng, Fa-Kun; Qiu, Renhui; Xu, Jian-Gang","Refinement of the sensitive azides via in situ generated azole-based metal−organic frameworks towards stable energetic materials","Dalton Transactions","2023","","","","","10.1039/D3DT01804K","","x-ray","0.71073","MoKα","","0.0561","0.0399","","","0.11","0.1162","","","","","","1.11","","","","has coordinates","286492","2023-09-23","22:47:05",""
"7714018","12.2992","0.0007","16.184","0.001","19.0169","0.0012","90","","108.76","0.007","90","","3584.2","0.4","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 Br Mn2 N8 O8 -","- C74 H48 Br Mn2 N8 O8 -","- C148 H96 Br2 Mn4 N16 O16 -","2","0.5","","Qing, Yuhang; Wu, Qianqian; He, Shuanglin; Zhang, Ping; Xiong, Ying; Zhang, Yaping; Huang, Fang; Li, Fei; Chen, Lin","Effects of Proton Tunneling Distance on CO2 Reduction by Mn Terpyridine species","Dalton Transactions","2023","","","","","10.1039/D3DT02081A","","x-ray","0.71073","MoKα","","0.1169","0.0773","","","0.1958","0.2282","","","","","","1.029","","","","has coordinates","286493","2023-09-23","22:47:31",""
"7714019","15.521","0.002","17.684","0.003","18.449","0.003","90","","111.345","0.006","90","","4716.4","1.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Eu(fod)3(bzi)]","","- C37 H36 Eu F21 N2 O6 -","- C37 H36 Eu F21 N2 O6 -","- C148 H144 Eu4 F84 N8 O24 -","4","1","","Ali, Asgar; Ahmed, Zubair; Rahisuddin, ?; Iftikhar, K.","Pure red-light emitting europium based complexes as efficient UV light converters: synthesis, crystal structure and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01536j","","","1.54178","CuKα","","0.0714","0.062","","","0.1751","0.1855","","","","","","1.119","","","","has coordinates,has disorder","286514","2023-09-25","22:50:16",""
"7714020","13.1318","0.0002","27.1014","0.0004","15.0062","0.0003","90","","91.536","0.002","90","","5338.64","0.16","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Europium-benzimidazole pyridine","[Eu(fod)3(py-im)]","","- C43 H39 Cl4 Eu F21 N3 O6 -","- C43 H39 Cl4 Eu F21 N3 O6 -","- C172 H156 Cl16 Eu4 F84 N12 O24 -","4","1","","Ali, Asgar; Ahmed, Zubair; Rahisuddin, ?; Iftikhar, K.","Pure red-light emitting europium based complexes as efficient UV light converters: synthesis, crystal structure and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01536j","","x-ray","0.71073","MoKα","","0.0469","0.034","","","0.066","0.0706","","","","","","1.048","","","","has coordinates,has disorder","286514","2023-09-25","22:50:16",""
"7714021","13.0492","0.0002","23.2617","0.0004","37.7167","0.0005","90","","93.787","0.001","90","","11423.8","0.3","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Europium-bathophenanthroline","Eu-bath","","- C54 H46 Eu F21 N2 O6 -","- C54 H46 Eu F21 N2 O6 -","- C432 H368 Eu8 F168 N16 O48 -","8","2","","Ali, Asgar; Ahmed, Zubair; Rahisuddin, ?; Iftikhar, K.","Pure red-light emitting europium based complexes as efficient UV light converters: synthesis, crystal structure and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01536j","","","0.71073","MoKα","","0.0493","0.0386","","","0.0943","0.1017","","","","","","1.048","","","","has coordinates,has disorder","286514","2023-09-25","22:50:16",""
"7714022","8.974","0.0004","29.2515","0.0017","21.3053","0.0009","90","","90","","90","","5592.7","0.5","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C62 H82 B2 Fe N6 -","- C62 H82 B2 Fe N6 -","- C248 H328 B8 Fe4 N24 -","4","0.5","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","1.54186","CuKα","","0.1146","0.0738","","","0.1533","0.1736","","","","","","1.055","","","","has coordinates","286546","2023-09-26","23:05:26",""
"7714023","10.6958","0.0003","14.2662","0.0004","20.2598","0.0006","109.087","0.002","100.421","0.003","94.724","0.002","2839.77","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 Fe N6 Sn -","- C62 H80 B2 Fe N6 Sn -","- C124 H160 B4 Fe2 N12 Sn2 -","2","1","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","1.54186","CuKα","","0.0547","0.0462","","","0.1163","0.123","","","","","","1.03","","","","has coordinates","286546","2023-09-26","23:05:27",""
"7714024","20.8","0.0008","22.0814","0.0006","14.5347","0.0006","90","","102.468","0.003","90","","6518.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 B2 Fe N6 Si -","- C68 H86 B2 Fe N6 Si -","- C272 H344 B8 Fe4 N24 Si4 -","4","1","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","1.54186","CuKα","","0.1111","0.0648","","","0.1439","0.166","","","","","","1.024","","","","has coordinates","286546","2023-09-26","23:05:27",""
"7714025","13.5366","0.0007","16.4231","0.0009","19.0854","0.001","94.408","0.004","108.594","0.004","96.918","0.004","3962.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H121 B2 Fe Li2 N10 -","- C83 H121 B2 Fe Li2 N10 -","- C166 H242 B4 Fe2 Li4 N20 -","2","1","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","1.54186","CuKα","","0.093","0.0549","","","0.1088","0.1266","","","","","","1.027","","","","has coordinates,has disorder","286546","2023-09-26","23:05:27",""
"7714026","12.2033","0.0008","23.7917","0.0017","19.6371","0.0012","90","","92.103","0.005","90","","5697.5","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H82 B2 Fe N6 O Si -","- C62 H82 B2 Fe N6 O Si -","- C248 H328 B8 Fe4 N24 O4 Si4 -","4","1","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","0.71073","MoKα","","0.1209","0.085","","","0.221","0.2538","","","","","","1.02","","","","has coordinates,has disorder","286546","2023-09-26","23:05:27",""
"7714027","10.7135","0.0005","14.32","0.0007","20.0251","0.001","108.398","0.004","101.468","0.004","94.946","0.004","2820.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 Fe N6 Pb -","- C62 H80 B2 Fe N6 Pb -","- C124 H160 B4 Fe2 N12 Pb2 -","2","1","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","0.71073","MoKα","","0.0654","0.0551","","","0.1463","0.1575","","","","","","1.093","","","","has coordinates","286546","2023-09-26","23:05:27",""
"7714028","20.4144","0.0011","21.9544","0.0008","14.6481","0.0007","90","","104.662","0.004","90","","6351.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H80 B2 Fe Ge N6 -","- C62 H80 B2 Fe Ge N6 -","- C248 H320 B8 Fe4 Ge4 N24 -","4","1","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","1.54186","CuKα","","0.1347","0.0748","","","0.1752","0.2146","","","","","","1.035","","","","has coordinates","286546","2023-09-26","23:05:27",""
"7714029","8.3095","0.0008","15.1037","0.0011","15.3202","0.0012","90","","92.18","0.006","90","","1921.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H11 N O4 Zn -","- C19 H11 N O4 Zn -","- C76 H44 N4 O16 Zn4 -","4","0.5","","Lin, Wenxin; Wang, Yijia; Zhang, Haoke; Shan, Kei Hoi; Si, Panpan; Yu, Shijiang; Wang, Zhen; Zhao, Dian; Gao, Junkuo; Wu, Minghua; Tang, Ben Zhong","Differential Fluorescent Response to Amino Acids based on Metal-Organic Framework Zn-PBC","Dalton Transactions","2023","","","","","10.1039/D3DT02522E","","","0.71073","MoKα","","0.0432","0.0306","","","0.0773","0.0819","","","","","","1.035","","","","has coordinates","286547","2023-09-26","23:06:15",""
"7714030","20.764","0.0003","10.7073","0.0002","12.7363","0.0002","90","","90","","90","","2831.62","0.08","150","","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H41 Cs N2 -","- C29 H41 Cs N2 -","- C116 H164 Cs4 N8 -","4","1","","Videa, Hellen; Martínez-Martínez, Antonio J","Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","37","13058","13062","10.1039/d3dt01592k","","","0.71073","MoKα","","0.0298","0.025","","","0.0555","0.0579","","","","","","1.036","","","","has coordinates","286548","2023-09-26","23:07:43",""
"7714031","13.7097","0.0006","15.1667","0.0007","16.4016","0.0008","77.66","0.003","77.052","0.002","73.081","0.002","3139.2","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H97 Cs N2 O12 -","- C60 H97 Cs N2 O12 -","- C120 H194 Cs2 N4 O24 -","2","1","","Videa, Hellen; Martínez-Martínez, Antonio J","Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","37","13058","13062","10.1039/d3dt01592k","","","0.71073","MoKα","","0.0647","0.0466","","","0.1142","0.1279","","","","","","1.024","","","","has coordinates,has disorder","286548","2023-09-26","23:07:43",""
"7714032","26.0601","0.0005","13.0041","0.0002","18.7072","0.0003","90","","117.471","0.001","90","","5624.82","0.17","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H89 Cs N2 O12 -","- C53 H89 Cs N2 O12 -","- C212 H356 Cs4 N8 O48 -","4","1","","Videa, Hellen; Martínez-Martínez, Antonio J","Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","37","13058","13062","10.1039/d3dt01592k","","","0.71073","MoKα","","0.0374","0.0283","","","0.0714","0.0771","","","","","","1.076","","","","has coordinates,has disorder","286548","2023-09-26","23:07:43",""
"7714033","16.4068","0.0006","15.8513","0.0005","19.0928","0.0008","90","","95.59","0.001","90","","4941.8","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H77 Cs N4 O6 -","- C47 H77 Cs N4 O6 -","- C188 H308 Cs4 N16 O24 -","4","1","","Videa, Hellen; Martínez-Martínez, Antonio J","Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","37","13058","13062","10.1039/d3dt01592k","","","0.71073","MoKα","","0.0405","0.0344","","","0.0703","0.0725","","","","","","1.166","","","","has coordinates,has disorder","286548","2023-09-26","23:07:43",""
"7714034","9.1464","0.0004","9.8897","0.0004","20.7789","0.0008","77.342","0.002","77.414","0.001","76.279","0.002","1754.03","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 O6 -","- C38 H48 N2 O6 -","- C76 H96 N4 O12 -","2","1","","Cherkasova, Anna V.; Cherkasov, Anton Vladimirovich; Martyanov, Konstantin A.; Bogomyakov, Artem; Khrustalev, Victor N.; Kissel, Alexander; Kozhanov, Konstantin; Kuropatov, Viacheslav; Cherkasov, Vladimir Kuz'mich","A self-assembling of a metal-organic cage-like structure bearing cofacial redox-active bis-(o-semiquinone) copper(II) units","Dalton Transactions","2023","","","","","10.1039/D3DT02855K","","","0.71073","MoKα","","0.0929","0.0554","","","0.117","0.1327","","","","","","1.018","","","","has coordinates,has disorder","286562","2023-09-27","22:45:19",""
"7714035","11.2133","0.0005","14.5574","0.0007","14.7287","0.0007","112.212","0.002","100.457","0.002","110.623","0.002","1941","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H114 Cu2 O15 -","- C80 H114 Cu2 O15 -","- C80 H114 Cu2 O15 -","1","0.5","","Cherkasova, Anna V.; Cherkasov, Anton Vladimirovich; Martyanov, Konstantin A.; Bogomyakov, Artem; Khrustalev, Victor N.; Kissel, Alexander; Kozhanov, Konstantin; Kuropatov, Viacheslav; Cherkasov, Vladimir Kuz'mich","A self-assembling of a metal-organic cage-like structure bearing cofacial redox-active bis-(o-semiquinone) copper(II) units","Dalton Transactions","2023","","","","","10.1039/D3DT02855K","","","0.71073","MoKα","","0.123","0.0675","","","0.1494","0.1725","","","","","","1.022","","","","has coordinates,has disorder","286562","2023-09-27","22:45:20",""
"7714036","14.271","0.0009","17.2741","0.0014","17.9562","0.0016","90","","99.095","0.01","90","","4370.9","0.6","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 Cu2 O18 -","- C80 H108 Cu2 O18 -","- C160 H216 Cu4 O36 -","2","0.5","","Cherkasova, Anna V.; Cherkasov, Anton Vladimirovich; Martyanov, Konstantin A.; Bogomyakov, Artem; Khrustalev, Victor N.; Kissel, Alexander; Kozhanov, Konstantin; Kuropatov, Viacheslav; Cherkasov, Vladimir Kuz'mich","A self-assembling of a metal-organic cage-like structure bearing cofacial redox-active bis-(o-semiquinone) copper(II) units","Dalton Transactions","2023","","","","","10.1039/D3DT02855K","","","0.79313","synchrotron","","0.1057","0.0801","","","0.1948","0.2123","","","","","","1.004","","","","has coordinates,has disorder","286562","2023-09-27","22:45:20",""
"7714037","13.7617","0.001","13.8309","0.001","14.3002","0.001","62.027","0.002","63.27","0.002","89.914","0.002","2069.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C83.6 H122.4 Cu2 O18.6 -","- C83.6 H122.4 Cu2 O18.6 -","- C83.6 H122.4 Cu2 O18.6 -","1","0.5","","Cherkasova, Anna V.; Cherkasov, Anton Vladimirovich; Martyanov, Konstantin A.; Bogomyakov, Artem; Khrustalev, Victor N.; Kissel, Alexander; Kozhanov, Konstantin; Kuropatov, Viacheslav; Cherkasov, Vladimir Kuz'mich","A self-assembling of a metal-organic cage-like structure bearing cofacial redox-active bis-(o-semiquinone) copper(II) units","Dalton Transactions","2023","","","","","10.1039/D3DT02855K","","","0.71073","MoKα","","0.1019","0.0712","","","0.1529","0.169","","","","","","1.07","","","","has coordinates,has disorder","286562","2023-09-27","22:45:20",""
"7714038","9.455","0.0003","11.6117","0.0003","11.8561","0.0003","95.209","0.002","109.339","0.003","105.223","0.002","1162.32","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H78 Fe N4 Si8 -","- C32 H78 Fe N4 Si8 -","- C32 H78 Fe N4 Si8 -","1","0.5","","Ishii, Reon; Nakagawa, Minesato; Wada, Yoshimasa; Sunada, Yusuke","Four- and Three-coordinate Planar Iron(II) Complexes Supported by Bulky Organosilyl Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02219F","","","0.71075","MoKα","","0.0505","0.0449","","","0.1194","0.1233","","","","","","1.072","","","","has coordinates","286563","2023-09-27","22:46:13",""
"7714039","10.1857","0.0002","22.6499","0.0006","18.6628","0.0005","90","","93.809","0.002","90","","4296.09","0.18","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 Fe N4 Si8 -","- C28 H66 Fe N4 Si8 -","- C112 H264 Fe4 N16 Si32 -","4","1","","Ishii, Reon; Nakagawa, Minesato; Wada, Yoshimasa; Sunada, Yusuke","Four- and Three-coordinate Planar Iron(II) Complexes Supported by Bulky Organosilyl Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02219F","","","0.71075","MoKα","","0.0499","0.0338","","","0.0772","0.0839","","","","","","1.031","","","","has coordinates","286563","2023-09-27","22:46:13",""
"7714040","9.4785","0.0007","23.6413","0.0017","21.2483","0.0016","90","","102.331","0.007","90","","4651.6","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H65 Fe Si8 -","- C35 H65 Fe Si8 -","- C140 H260 Fe4 Si32 -","4","1","","Ishii, Reon; Nakagawa, Minesato; Wada, Yoshimasa; Sunada, Yusuke","Four- and Three-coordinate Planar Iron(II) Complexes Supported by Bulky Organosilyl Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02219F","","","0.4122","synchrotron","","0.0366","0.0313","","","0.0833","0.0863","","","","","","1.037","","","","has coordinates","286563","2023-09-27","22:46:14",""
"7714041","7.5046","0.0004","5.2713","0.0004","7.3682","0.0004","90","","98.778","0.0006","90","","288.06","0.03","298","","298","","100000000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ytterbium orthoantimonate","","","- O4 Sb Yb -","- O4 Sb Yb -","- O16 Sb4 Yb4 -","4","1","","Garg, Alka Bansal; Lopez, Sinhue; Botella Vives, Pablo; Gomis, Oscar; Bandiello, Enrico; Osman, Hussien; Popescu, Catalin; Errandonea, Daniel","Exploring the crystal structure and properties of ytterbium orthoantimonate under high pressure","Dalton Transactions","2023","","","","","10.1039/D3DT02480F","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","286564","2023-09-27","22:46:42",""
"7714042","24.1112","0.0004","15.4419","0.0003","20.208","0.0003","90","","93.724","0.001","90","","7508","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C165 H114 N24 O18 Re6 -","- C165 H114 N24 O18 Re6 -","- C330 H228 N48 O36 Re12 -","2","0.5","","Kedia, Moon; Khatun, Sajmina; Phukon, Upasana; Bhaskaran, Shankar; Rengan, Aravind Kumar; Malaichamy, Sathiyendiran","Trinuclear Rhenium(I)-based Metallocages as Anticancer Agent Towards Human Cervical Cancer Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02535G","","","0.71073","MoKα","","0.0708","0.0494","","","0.1178","0.1255","","","","","","1.045","","","","has coordinates,has disorder","286565","2023-09-27","22:47:20",""
"7714043","18.1144","0.0004","19.0355","0.0005","25.3196","0.0008","90","","95.563","0.002","90","","8689.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C201 H150 N24 O18 Re6 -","- C201 H150 N24 O18 Re6 -","- C402 H300 N48 O36 Re12 -","2","0.5","","Kedia, Moon; Khatun, Sajmina; Phukon, Upasana; Bhaskaran, Shankar; Rengan, Aravind Kumar; Malaichamy, Sathiyendiran","Trinuclear Rhenium(I)-based Metallocages as Anticancer Agent Towards Human Cervical Cancer Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02535G","","","0.71073","MoKα","","0.1116","0.0528","","","0.1079","0.1278","","","","","","1.045","","","","has coordinates,has disorder","286565","2023-09-27","22:47:20",""
"7714044","8.4837","0.0005","16.7324","0.0011","17.3768","0.0009","91.547","0.002","102.134","0.002","103.58","0.002","2336.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cu3 N4 O17 -","- C42 H56 Cu3 N4 O17 -","- C84 H112 Cu6 N8 O34 -","2","1","","Yang, Ai-Ai; Cui, Jian-Peng; Liu, Yu; Zhang, Xiao-Sa; Sun, Ze-Bang; Luo, Nan; Li, Wenze; Luan, Jian","Fabrication of bimetallic-doped materials derived from a Cu-based complex for enhanced dye adsorption and iodine capture","Dalton Transactions","2023","","","","","10.1039/D3DT02749J","","","0.71073","MoKα","","0.0824","0.0534","","","0.1305","0.1574","","","","","","1.08","","","","has coordinates","286566","2023-09-27","22:47:57",""
"7714045","12.2049","0.0002","14.8651","0.0003","7.6069","0.0001","90","","90","","90","","1380.1","0.04","100","2","100.01","0.15","","","","","","","","5","P b c n","-P 2n 2ab","60","4-aminopyridinium iodobismuthate","","","- C5 H6 Bi I4 N2 -","- C5 H6 Bi I4 N2 -","- C20 H24 Bi4 I16 N8 -","4","0.5","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0244","0.0202","","","0.0431","0.044","","","","","","1.08","","","","has coordinates","286597","2023-09-28","22:56:31",""
"7714046","14.9874","0.0003","11.4555","0.0002","20.4765","0.0005","90","","107.648","0.002","90","","3350.12","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-cyanopyridinium iodobismuthate","","","- C14 H16 Bi2 I8 N4 O -","- C14 H16 Bi2 I8 N4 O -","- C56 H64 Bi8 I32 N16 O4 -","4","1","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0796","0.0405","","","0.0892","0.099","","","","","","1.038","","","","has coordinates","286597","2023-09-28","22:56:31",""
"7714047","9.2443","0.0001","10.6401","0.0001","37.94","0.0003","90","","90","","90","","3731.79","0.06","130","2","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-methylpyridinium iodobismuthate","","","- C18 H24 Bi2 I9 N3 -","- C18 H24 Bi2 I9 N3 -","- C72 H96 Bi8 I36 N12 -","4","1","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0472","0.0405","","","0.0951","0.0978","","","","","","0.94","","","","has coordinates","286597","2023-09-28","22:56:31",""
"7714048","17.9971","0.0006","20.3282","0.0007","13.9362","0.0004","90","","90","","90","","5098.5","0.3","130","2","130","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","4(N,N-dimethylamino)pyridinium iodobismuthate","","- C28 H44 Bi2 I10 N8 -","- C28 H44 Bi2 I10 N8 -","- C112 H176 Bi8 I40 N32 -","4","0.5","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.0579","0.0622","","","","","","1.014","","","","has coordinates","286597","2023-09-28","22:56:32",""
"7714049","15.5664","0.0005","18.725","0.0006","19.2084","0.0006","90","","100.86","0.002","90","","5498.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H70 K N5 Si11 -","- C45 H70 K N5 Si11 -","- C180 H280 K4 N20 Si44 -","4","1","","Lips, Felicitas; Helmer, Joschua; Hepp, Alexander; Berger, Raphael J. F.","Synthesis and Functionalization of the Six-Vertex Anionic Amido-Substituted Silicon Cluster [Si6{N(SiMe3)Ph}5]−","Dalton Transactions","2023","","","","","10.1039/D2DT03952D","","","0.71073","MoKα","","0.0807","0.0567","","","0.1439","0.1621","","","","","","1.06","","","","has coordinates,has disorder","286598","2023-09-28","22:57:54",""
"7714050","12.5574","0.0005","13.3175","0.0005","20.6076","0.0008","91.468","0.002","106.579","0.002","110.641","0.002","3060.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H79 I N5 Si11 -","- C50 H79 I N5 Si11 -","- C100 H158 I2 N10 Si22 -","2","1","","Lips, Felicitas; Helmer, Joschua; Hepp, Alexander; Berger, Raphael J. F.","Synthesis and Functionalization of the Six-Vertex Anionic Amido-Substituted Silicon Cluster [Si6{N(SiMe3)Ph}5]−","Dalton Transactions","2023","","","","","10.1039/D2DT03952D","","","0.71073","MoKα","","0.0382","0.0353","","","0.0945","0.0969","","","","","","1.045","","","","has coordinates","286598","2023-09-28","22:57:54",""
"7714051","13.0493","0.0005","13.4471","0.0006","20.7283","0.0009","71.982","0.002","84.352","0.002","72.014","0.001","3289.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H76 Cl5 N5 Si12 -","- C51 H76 Cl5 N5 Si12 -","- C102 H152 Cl10 N10 Si24 -","2","1","","Lips, Felicitas; Helmer, Joschua; Hepp, Alexander; Berger, Raphael J. F.","Synthesis and Functionalization of the Six-Vertex Anionic Amido-Substituted Silicon Cluster [Si6{N(SiMe3)Ph}5]−","Dalton Transactions","2023","","","","","10.1039/D2DT03952D","","","0.71073","MoKα","","0.0284","0.0269","","","0.0756","0.0765","","","","","","1.077","","","","has coordinates","286598","2023-09-28","22:57:54",""
"7714052","13.6587","0.0004","15.9267","0.0005","21.2413","0.0006","78.525","0.001","73.577","0.001","72.844","0.001","4201.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H106 K N7 O6 Si11 -","- C63 H106 K N7 O6 Si11 -","- C126 H212 K2 N14 O12 Si22 -","2","1","","Lips, Felicitas; Helmer, Joschua; Hepp, Alexander; Berger, Raphael J. F.","Synthesis and Functionalization of the Six-Vertex Anionic Amido-Substituted Silicon Cluster [Si6{N(SiMe3)Ph}5]−","Dalton Transactions","2023","","","","","10.1039/D2DT03952D","","","0.71073","MoKα","","0.0457","0.0423","","","0.1163","0.1187","","","","","","1.091","","","","has coordinates","286598","2023-09-28","22:57:54",""
"7714053","20.6155","0.0006","13.5318","0.0004","23.7454","0.0007","90","","111.426","0.001","90","","6166.3","0.3","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H70 Br5 N5 Si12 -","- C45 H70 Br5 N5 Si12 -","- C180 H280 Br20 N20 Si48 -","4","1","","Lips, Felicitas; Helmer, Joschua; Hepp, Alexander; Berger, Raphael J. F.","Synthesis and Functionalization of the Six-Vertex Anionic Amido-Substituted Silicon Cluster [Si6{N(SiMe3)Ph}5]−","Dalton Transactions","2023","","","","","10.1039/D2DT03952D","","","0.71073","MoKα","","0.0258","0.0232","","","0.0549","0.0558","","","","","","1.096","","","","has coordinates","286598","2023-09-28","22:57:55",""
"7714054","8.9102","0.0002","15.2917","0.0004","46.4839","0.0011","90","","90.762","0.002","90","","6333","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 Cl6 P2 Ru -","- C72 H72 Cl6 P2 Ru -","- C288 H288 Cl24 P8 Ru4 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","","0.71073","MoKα","","0.1873","0.1238","","","0.3001","0.3455","","","","","","1.006","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714055","28.0052","0.0002","27.3628","0.0002","8.7392","0.0001","90","","90","","90","","6696.85","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H92 Cl2 P2 Ru Si -","- C76 H92 Cl2 P2 Ru Si -","- C304 H368 Cl8 P8 Ru4 Si4 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54184","CuKα","","0.0438","0.041","","","0.089","0.0901","","","","","","1.042","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714056","28.3238","0.0002","8.8378","0.0001","44.5941","0.0003","90","","99.493","0.001","90","","11009.9","0.17","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C64 H70 P2 Ru -","- C64 H70 P2 Ru -","- C512 H560 P16 Ru8 -","8","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0927","0.0934","","","","","","1.09","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714057","11.8379","0.0002","15.3879","0.0002","29.6079","0.0005","90","","95.826","0.001","90","","5365.53","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 P2 Ru -","- C69 H66 P2 Ru -","- C276 H264 P8 Ru4 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","","0.71073","MoKα","","0.0661","0.0493","","","0.1184","0.1299","","","","","","1.002","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714058","9.6557","0.0002","12.9547","0.0002","18.6848","0.0003","90","","101.938","0.001","90","","2286.67","0.07","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 -","- C56 H62 -","- C112 H124 -","2","0.5","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","","0.71073","MoKα","","0.0791","0.0547","","","0.1229","0.1357","","","","","","1.002","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714059","11.9812","0.0004","21.0158","0.0005","15.1892","0.0004","90","","112.687","0.004","90","","3528.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Si2 -","- C36 H48 Si2 -","- C144 H192 Si8 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54184","CuKα","","0.1466","0.1242","","","0.2671","0.2794","","","","","","1.154","","","","has coordinates,has disorder","286599","2023-09-28","22:59:55",""
"7714060","31.4242","0.0014","19.2612","0.0009","8.9346","0.0007","90","","90","","90","","5407.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C64 H69 Br P2 Ru -","- C64 H69 Br P2 Ru -","- C256 H276 Br4 P8 Ru4 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54178","CuKα","","0.1506","0.1109","","","0.1883","0.2048","","","","","","1.136","","","","has coordinates,has disorder","286599","2023-09-28","22:59:55",""
"7714061","8.7695","0.0006","10.55","0.0008","10.9648","0.0008","114.602","0.003","96.732","0.003","106.032","0.003","854.61","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H14 Cl2 F3 N O3 S Te -","- C12 H14 Cl2 F3 N O3 S Te -","- C24 H28 Cl4 F6 N2 O6 S2 Te2 -","2","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0265","0.0223","","","0.0524","0.0546","","","","","","1.071","","","","has coordinates","286600","2023-09-28","23:02:23",""
"7714062","7.9086","0.0004","8.771","0.0005","14.0259","0.0006","105.762","0.002","98.604","0.002","97.406","0.002","910.99","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl4 O3 Te2 -","- C14 H10 Cl4 O3 Te2 -","- C28 H20 Cl8 O6 Te4 -","2","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0318","0.0256","","","0.0556","0.0588","","","","","","1.098","","","","has coordinates","286600","2023-09-28","23:02:23",""
"7714063","12.6772","0.0008","8.8511","0.0005","20.6032","0.0013","90","","106.793","0.002","90","","2213.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl2 F6 N2 Sb Te -","- C16 H23 Cl2 F6 N2 Sb Te -","- C64 H92 Cl8 F24 N8 Sb4 Te4 -","4","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0416","0.0402","","","0.1","0.1003","","","","","","1.327","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714064","9.482","0.0006","14.8539","0.0012","26.6321","0.0019","90","","94.31","0.006","90","","3740.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl N Te -","- C19 H22 Cl N Te -","- C152 H176 Cl8 N8 Te8 -","8","2","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0969","0.0494","","","0.0723","0.0882","","","","","","1.183","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714065","12.2012","0.0008","8.8429","0.0006","20.7838","0.0012","90","","100.101","0.002","90","","2207.7","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 F3 N2 O3 S Te -","- C17 H23 Cl2 F3 N2 O3 S Te -","- C68 H92 Cl8 F12 N8 O12 S4 Te4 -","4","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0463","0.0407","","","0.0877","0.0896","","","","","","1.212","","","","has coordinates,has disorder","286600","2023-09-28","23:02:24",""
"7714066","12.2981","0.0013","9.0873","0.0009","18.2137","0.0017","90","","97.656","0.004","90","","2017.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F6 N2 Sb Te -","- C16 H23 F6 N2 Sb Te -","- C64 H92 F24 N8 Sb4 Te4 -","4","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0334","0.0298","","","0.0685","0.0695","","","","","","1.338","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714067","11.2776","0.0007","15.3893","0.0011","12.0866","0.0009","90","","92.117","0.002","90","","2096.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Br Cl2 N2 Te -","- C17 H25 Br Cl2 N2 Te -","- C68 H100 Br4 Cl8 N8 Te4 -","4","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0451","0.0348","","","0.0945","0.099","","","","","","1.075","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714068","15.2837","0.0008","8.7618","0.0004","16.054","0.0008","90","","94.823","0.002","90","","2142.22","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 F6 N Sb Te -","- C19 H22 F6 N Sb Te -","- C76 H88 F24 N4 Sb4 Te4 -","4","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0264","0.0239","","","0.0522","0.053","","","","","","1.174","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714069","9.628","0.004","22.625","0.01","13.848","0.006","90","","107.181","0.015","90","","2882","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl4 N2 O3 Te2 -","- C24 H28 Cl4 N2 O3 Te2 -","- C96 H112 Cl16 N8 O12 Te8 -","4","1","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0359","0.0329","","","0.0758","0.0773","","","","","","1.088","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714070","13.0781","0.0006","16.2906","0.0008","34.6077","0.0017","90","","92.357","0.002","90","","7366.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Cl2 F6 N2 Sb Te -","- C33 H41 Cl2 F6 N2 Sb Te -","- C264 H328 Cl16 F48 N16 Sb8 Te8 -","8","2","","Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor","N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.","Dalton Transactions","2023","","","","","10.1039/D3DT02404K","","","0.71073","MoKα","","0.0581","0.0373","","","0.0711","0.0769","","","","","","1.081","","","","has coordinates","286600","2023-09-28","23:02:24",""
"7714071","9.4258","0.0005","16.5006","0.0011","7.3773","0.0004","90","","108.406","0.002","90","","1088.7","0.11","103","2","103","","","","","","","","Synthesized in lab","4","P 1 21/c 1","-P 2ybc","14","","6-bromo-1-phenyl-1H-benzo[d]imidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Gupta, Rahat; Sahni, Priya; Jana, Salil K.; Negi, Anshul; Pal, Amlan K.","Effect of substitution on deep-blue Ir(III) N-heterocyclic carbene (NHC) emitters","Dalton Transactions","2023","","","","","10.1039/D3DT01947K","","","0.71073","MoKα","","0.0456","0.0408","","","0.1093","0.1124","","","","","","1.0306","","","","has coordinates","286601","2023-09-28","23:04:03",""
"7714072","16.718","0.003","3.964","0.0008","16.793","0.004","90","","101.542","0.007","90","","1090.4","0.4","100","2","100","","","","","","","","Synthesized in lab","4","P 1 21/n 1","-P 2yn","14","","5-bromo-1-phenyl-1H-benzo[d]imidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Gupta, Rahat; Sahni, Priya; Jana, Salil K.; Negi, Anshul; Pal, Amlan K.","Effect of substitution on deep-blue Ir(III) N-heterocyclic carbene (NHC) emitters","Dalton Transactions","2023","","","","","10.1039/D3DT01947K","","","0.71073","MoKα","","0.0479","0.0429","","","0.096","0.1037","","","","","","1.208","","","","has coordinates","286601","2023-09-28","23:04:04",""
"7714073","8.811","0.003","22.538","0.007","7.398","0.002","90","","106.91","0.01","90","","1405.6","0.8","100","2","100","","","","","","","","Synthesized in lab","5","P 1 21/c 1","-P 2ybc","14","","6-bromo-3-methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide","","- C14 H12 Br I N2 -","- C14 H12 Br I N2 -","- C56 H48 Br4 I4 N8 -","4","1","","Gupta, Rahat; Sahni, Priya; Jana, Salil K.; Negi, Anshul; Pal, Amlan K.","Effect of substitution on deep-blue Ir(III) N-heterocyclic carbene (NHC) emitters","Dalton Transactions","2023","","","","","10.1039/D3DT01947K","","","0.71073","MoKα","","0.0483","0.0431","","","0.1145","0.1184","","","","","","1.0451","","","","has coordinates","286601","2023-09-28","23:04:04",""
"7714074","10.6109","0.0018","10.0029","0.0016","14.313","0.002","90","","107.058","0.005","90","","1452.3","0.4","100","2","100","","","","","","","","Synthesized in lab","5","P 1 21/c 1","-P 2ybc","14","","5-bromo-3-methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide","","- C14 H12 Br I N2 -","- C14 H12 Br I N2 -","- C56 H48 Br4 I4 N8 -","4","1","","Gupta, Rahat; Sahni, Priya; Jana, Salil K.; Negi, Anshul; Pal, Amlan K.","Effect of substitution on deep-blue Ir(III) N-heterocyclic carbene (NHC) emitters","Dalton Transactions","2023","","","","","10.1039/D3DT01947K","","","0.71073","MoKα","","0.0388","0.0356","","","0.1042","0.1063","","","","","","1.0228","","","","has coordinates","286601","2023-09-28","23:04:04",""
"7714075","9.2552","0.0005","13.4633","0.0006","19.6938","0.0009","90","","92.7433","0.0019","90","","2451.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Dy N8 Sb Se4 -","- C12 H36 Dy N8 Sb Se4 -","- C48 H144 Dy4 N32 Sb4 Se16 -","4","1","","Guo, Xin; Cao, Shumei Cao; Liu, Xing; Huang, Chunmei; Zhou, Jian","Facilely solvothermal preparation of organic hybrid dysprosium selenidoantimonate for efficient oxygen evolution reaction","Dalton Transactions","2023","","","","","10.1039/D3DT02492J","","","0.71073","MoKα","","0.0478","0.0292","","","0.0458","0.0503","","","","","","1.024","","","","has coordinates","286602","2023-09-28","23:04:30",""
"7714076","22.5798","0.0016","10.5896","0.0006","18.9921","0.001","90","","126.041","0.007","90","","3672","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Cl2 Mn N4 O18 -","- C34 H32 Cl2 Mn N4 O18 -","- C136 H128 Cl8 Mn4 N16 O72 -","4","0.5","","Wang, Li-Xin; Wu, Xiao-Fan; Jin, Xinxin; Li, Jia-Yi; Wang, Bingwu; Liu, Jiyan; Xiang, Jing; Gao, Song","Slow Magnetic Relaxation in 8-Coordinate Mn(II) Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT02307A","","","0.71073","MoKα","","0.0778","0.0597","","","0.1376","0.1462","","","","","","1.097","","","","has coordinates","286608","2023-09-30","22:55:28",""
"7714077","9.9383","0.0013","16.4561","0.0016","10.4468","0.001","90","","90","","90","","1708.5","0.3","100","0.2","100","0.2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C28 H24 Cl2 Mn N4 O16 -","- C28 H24 Cl2 Mn N4 O16 -","- C56 H48 Cl4 Mn2 N8 O32 -","2","0.25","","Wang, Li-Xin; Wu, Xiao-Fan; Jin, Xinxin; Li, Jia-Yi; Wang, Bingwu; Liu, Jiyan; Xiang, Jing; Gao, Song","Slow Magnetic Relaxation in 8-Coordinate Mn(II) Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT02307A","","x-ray","0.71073","MoKα","","0.0849","0.0637","","","0.1672","0.1803","","","","","","1.112","","","","has coordinates,has disorder","286608","2023-09-30","22:55:33",""
"7714078","13.8971","0.0002","21.2744","0.0003","16.648","0.0003","90","","106.152","0.002","90","","4727.74","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 Mn N8 O13 -","- C44 H54 Cl2 Mn N8 O13 -","- C176 H216 Cl8 Mn4 N32 O52 -","4","1","","Wang, Li-Xin; Wu, Xiao-Fan; Jin, Xinxin; Li, Jia-Yi; Wang, Bingwu; Liu, Jiyan; Xiang, Jing; Gao, Song","Slow Magnetic Relaxation in 8-Coordinate Mn(II) Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT02307A","","","1.54178","CuKα","","0.0435","0.0373","","","0.0949","0.0985","","","","","","1.036","","","","has coordinates","286608","2023-09-30","22:55:35",""
"7714079","10.937","0.002","39.707","0.008","12.853","0.003","90","","110.8","0.03","90","","5218","2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl2 Mn N20 O8 -","- C40 H48 Cl2 Mn N20 O8 -","- C160 H192 Cl8 Mn4 N80 O32 -","4","1","","Wang, Li-Xin; Wu, Xiao-Fan; Jin, Xinxin; Li, Jia-Yi; Wang, Bingwu; Liu, Jiyan; Xiang, Jing; Gao, Song","Slow Magnetic Relaxation in 8-Coordinate Mn(II) Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT02307A","","x-ray","0.71073","MoKα","","0.123","0.0975","","","0.1865","0.1958","","","","","","1.179","","","","has coordinates","286608","2023-09-30","22:55:36",""
"7714080","12.1863","0.0006","12.4072","0.0007","5.8203","0.0003","90","","90","","90","","880.02","0.08","273.15","","273.15","","","","","","","","","5","P b a m","-P 2 2ab","55","","1","","- Cl K N2 O6 Rb2 -","- Cl K N2 O6 Rb2 -","- Cl4 K4 N8 O24 Rb8 -","4","0.5","","Zhang, Zhiyuan; Xu, Die; Wu, Zhencheng; Hu, Mei; Su, Xin; Huang, Yi-Neng","KRb2(NO3)2Cl: a New Birefringent Crystal Exhibiting Perovskite-Related Framework and Short Cutoff Edge","Dalton Transactions","2023","","","","","10.1039/D3DT02952B","","","0.71073","MoKα","","0.0323","0.0277","","","0.0691","0.0719","","","","","","1.111","","","","has coordinates","286609","2023-09-30","22:56:36",""
"7714081","14.113","0.007","15.931","0.008","15.581","0.008","90","","94.238","0.007","90","","3494","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Ag4 N16 O48 Si W12 -","- C26 H25 Ag4 N16 O48 Si W12 -","- C52 H50 Ag8 N32 O96 Si2 W24 -","2","0.5","","Li, Si-Fan; Li, Jian-Sheng; Zhu, Hao-Tian; Zhang, Li-Yuan; Sang, Xiao-Jing; Zhu, Zai-Ming; You, Wansheng; Zhang, Fuxiang","Development of polyoxometalate-based Ag-H2biim inorganic-organic hybrid compounds functionalized for acid electrocatalytic hydrogen evolution reaction","Dalton Transactions","2023","","","","","10.1039/D3DT02820H","","","0.71073","MoKα","","0.0617","0.0435","","","0.1053","0.114","","","","","","1.07","","","","has coordinates,has disorder","286610","2023-09-30","22:57:26",""
"7714082","18.961","","10.692","","17.059","","90","","85.33","","90","","3446.91","","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Co I2 N3 -","- C10 H24 Co I2 N3 -","- C80 H192 Co8 I16 N24 -","8","2","","Dahiya, Pardeep; Garg, Nidhi; Poli, Rinaldo; Sundararaju, Basker","Hydrogenation and Dehydrogenation of N-Heterocycles Under Cp*Co(III)-Catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT03161F","","","0.71073","MoKα","","0.0582","0.043","","","0.1399","0.1574","","","","","","1.106","","","","has coordinates","286629","2023-10-02","22:50:52",""
"7714083","9.6531","0.0004","14.3045","0.0006","11.2562","0.0005","90","","91.439","0.001","90","","1553.8","0.11","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BSPD4751","","- C14 H13 Co I2 N2 -","- C14 H13 Co I2 N2 -","- C56 H52 Co4 I8 N8 -","4","1","","Dahiya, Pardeep; Garg, Nidhi; Poli, Rinaldo; Sundararaju, Basker","Hydrogenation and Dehydrogenation of N-Heterocycles Under Cp*Co(III)-Catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT03161F","","x-ray","0.71073","MoKα","","0.0382","0.0293","","","0.0574","0.062","","","","","","1.079","","","","has coordinates","286629","2023-10-02","22:50:53",""
"7714084","14.4152","0.0003","9.136","0.0002","15.1178","0.0003","90","","92.25","0.001","90","","1989.44","0.07","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Co I2 N2 -","- C19 H23 Co I2 N2 -","- C76 H92 Co4 I8 N8 -","4","1","","Dahiya, Pardeep; Garg, Nidhi; Poli, Rinaldo; Sundararaju, Basker","Hydrogenation and Dehydrogenation of N-Heterocycles Under Cp*Co(III)-Catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT03161F","","","0.71073","MoKα","","0.0184","0.0162","","","0.0379","0.0392","","","","","","1.0508","","","","has coordinates","286629","2023-10-02","22:50:53",""
"7714085","12.4421","0.0003","12.9696","0.0003","25.2174","0.0008","90","","90","","90","","4069.31","0.19","119.99","0.17","119.99","0.17","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate acetonitrile solvate","","- C40 H29 B2 F8 Fe N11 -","- C40 H29 B2 F8 Fe N11 -","- C160 H116 B8 F32 Fe4 N44 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","x-ray","1.54184","CuKα","","0.098","0.0768","","","0.2083","0.2281","","","","","","1.074","","","","has coordinates,has disorder","286630","2023-10-02","22:53:15",""
"7714086","25.2181","0.0006","12.455","0.0002","12.9419","0.0003","90","","90","","90","","4064.94","0.15","120","2","120.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate methanol (1.5/1.41) solvate","","- C39.5 H32 B2 F8 Fe N10 O1.5 -","- C39.5 H32 B2 F8 Fe N10 O1.5 -","- C158 H128 B8 F32 Fe4 N40 O6 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","","1.54184","CuKα","","0.0526","0.0499","","","0.1419","0.1451","","","","","","1.061","","","","has coordinates,has disorder","286630","2023-10-02","22:53:15",""
"7714087","12.8813","0.0004","14.1735","0.0004","19.6258","0.0005","90","","108.553","0.004","90","","3396.93","0.18","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromo[2,6-bis(imidazo[1,2â\/E?a]quinolin-2-yl)pyridine]bis(pyridine)iron(II) bromide hemihydrate","","- C37 H28 Br2 Fe N7 O0.5 -","- C37 H27 Br2 Fe N7 O0.5 -","- C148 H108 Br8 Fe4 N28 O2 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","","1.54184","CuKα","","0.0748","0.0574","","","0.1499","0.1639","","","","","","1.014","","","","has coordinates,has disorder","286630","2023-10-02","22:53:15",""
"7714088","12.3988","0.0005","12.9182","0.0004","25.284","0.0009","90","","90","","90","","4049.7","0.3","120","0.1","120","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate nitromethane (1/0.8) solvate","","- C38.8 H28.4 B2 F8 Fe N10.8 O1.6 -","- C38.8 H28.4 B2 F8 Fe N10.8 O1.6 -","- C155.2 H113.6 B8 F32 Fe4 N43.2 O6.4 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","x-ray","1.54184","CuKα","","0.0807","0.0594","","","0.1644","0.1826","","","","","","1.054","","","","has coordinates,has disorder","286630","2023-10-02","22:53:16",""
"7714089","12.752","0.0004","13.6771","0.0004","13.9688","0.0004","79.861","0.002","78.387","0.003","64.173","0.003","2137.25","0.12","120","0.1","120.15","","","","","","","","","8","P -1","-P 1","2","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)tetrafluoroborate (2/1.6) hexafluorosilicate (1/0.2) nitromethane/diethyl ether solvate","","- C40.9 H34.1 B1.6 F7.6 Fe N11.7 O3.7 Si0.2 -","- C40.9 H34.1 B1.6 F7.6 Fe N11.7 O3.7 Si0.2 -","- C81.8 H68.2 B3.2 F15.2 Fe2 N23.4 O7.4 Si0.4 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","x-ray","1.54184","CuKα","","0.0764","0.0705","","","0.1912","0.1999","","","","","","1.029","","","","has coordinates,has disorder","286630","2023-10-02","22:53:18",""
"7714090","13.2776","0.0003","13.2858","0.0004","13.6211","0.0003","102.783","0.002","101.448","0.002","117.943","0.003","1938.57","0.12","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-Bis(imidazo[1,2-a]pyrimidin-2-yl)pyridine]iron(II)ditetrafluoroborate acetone solvate","","- C37 H28 B2 F8 Fe N14 O -","- C37 H28 B2 F8 Fe N14 O -","- C74 H56 B4 F16 Fe2 N28 O2 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","x-ray","1.54184","CuKα","","0.0435","0.0403","","","0.1064","0.1098","","","","","","1.042","","","","has coordinates","286630","2023-10-02","22:53:18",""
"7714091","12.6361","0.0006","13.4938","0.0007","14.3473","0.0007","80.455","0.004","89.884","0.004","76.63","0.004","2345.4","0.2","120","2","120.15","","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-Bis(imidazo[1,2-a]pyrimidin-2-yl)pyridine]iron(II)ditetrafluoroborate nitromethane/diethyl ether solvate","","- C39.5 H37.5 B2 F8 Fe N17.5 O7.5 -","- C39.5 H37.5 B2 F8 Fe N17.5 O7.5 -","- C79 H75 B4 F16 Fe2 N35 O15 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","","1.54184","CuKα","","0.0878","0.0748","","","0.1985","0.2122","","","","","","1.045","","","","has coordinates,has disorder","286630","2023-10-02","22:53:18",""
"7714092","13.0255","0.0005","13.5032","0.0006","13.7441","0.0006","101.726","0.004","102.485","0.003","118.47","0.004","1938.19","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-Bis(imidazo[1,2-a]pyrimidin-2-yl)pyridine]iron(II)ditetrafluoroborate sesqui-acetonitrile solvate","","- C37 H26.5 B2 F8 Fe N15.5 -","- C37 H26.5 B2 F8 Fe N15.5 -","- C74 H53 B4 F16 Fe2 N31 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","","1.54184","CuKα","","0.0621","0.0554","","","0.147","0.1538","","","","","","1.055","","","","has coordinates,has disorder","286630","2023-10-02","22:53:18",""
"7714093","18.9083","0.0003","48.0111","0.0009","20.0833","0.0003","90","","93.963","0.002","90","","18188.2","0.5","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(quinolin-2-yl)pyridine]iron(II) ditetrafluoroborateacetonitrile diethyl ether hydrate solvate","","- C49.28 H35.93 B2 F8 Fe N7.39 O0.38 -","- C49.285 H35.4275 B2 F8 Fe N7.3925 O0.375 -","- C788.56 H566.84 B32 F128 Fe16 N118.28 O6 -","16","4","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","","1.54184","CuKα","","0.1441","0.1128","","","0.2885","0.3062","","","","","","1.088","","","","has coordinates,has disorder","286630","2023-10-02","22:53:18",""
"7714094","8.0396","0.0002","15.6897","0.0004","58.4856","0.0016","90","","90","","90","","7377.3","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N2 P -","- C17 H25 N2 P -","- C272 H400 N32 P16 -","16","2","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0849","0.0761","","","0.1771","0.1811","","","","","","1.199","","","","has coordinates","286642","2023-10-03","22:53:43",""
"7714095","30.2653","0.0007","9.514","0.0002","15.0351","0.0004","90","","90","","90","","4329.27","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H35 N2 P -","- C22 H35 N2 P -","- C176 H280 N16 P8 -","8","2","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0345","0.0326","","","0.0829","0.0844","","","","","","1.039","","","","has coordinates,has disorder","286642","2023-10-03","22:53:48",""
"7714096","10.2794","0.0005","14.6603","0.0007","15.1574","0.0007","90","","109.108","0.0009","90","","2158.35","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N2 P -","- C21 H33 N2 P -","- C84 H132 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0618","0.046","","","0.1164","0.1266","","","","","","1.034","","","","has coordinates,has disorder","286642","2023-10-03","22:54:01",""
"7714097","31.2584","0.0009","8.8082","0.0002","14.9274","0.0004","90","","107.128","0.001","90","","3927.68","0.18","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H31 N2 P -","- C20 H31 N2 P -","- C160 H248 N16 P8 -","8","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0473","0.0381","","","0.0994","0.1083","","","","","","1.019","","","","has coordinates,has disorder","286642","2023-10-03","22:54:05",""
"7714098","10.4539","0.0009","15.7979","0.0013","14.8454","0.0012","90","","106.127","0.002","90","","2355.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N2 P -","- C23 H37 N2 P -","- C92 H148 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0475","0.0369","","","0.104","0.1094","","","","","","1.066","","","","has coordinates","286642","2023-10-03","22:54:08",""
"7714099","15.3256","0.0007","27.6449","0.0013","15.9718","0.0007","90","","91.864","0.002","90","","6763.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 P2 -","- C36 H44 N4 P2 -","- C288 H352 N32 P16 -","8","2","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0796","0.0645","","","0.1778","0.1882","","","","","","1.088","","","","has coordinates","286642","2023-10-03","22:55:34",""
"7714100","8.3007","0.0002","19.0539","0.0005","26.0563","0.0007","84.558","0.001","85.307","0.001","88.878","0.001","4088.46","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H80 N4 P2 -","- C60 H80 N4 P2 -","- C180 H240 N12 P6 -","3","1.5","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0618","0.0474","","","0.1224","0.1344","","","","","","1.023","","","","has coordinates","286642","2023-10-03","22:55:42",""
"7714101","14.9427","0.0003","17.0844","0.0003","23.0489","0.0004","74.375","0.001","74.203","0.001","82.817","0.001","5444.13","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.06 H48.11 Cl4.11 Ga2 I6 N4 P2 -","- C38.0556 H48.1113 Cl4.1113 Ga1.99965 I5.9986 N4 P2 -","- C152.223 H192.445 Cl16.4452 Ga7.9986 I23.9944 N16 P8 -","4","2","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0452","0.0334","","","0.0827","0.0855","","","","","","1.028","","","","has coordinates,has disorder","286642","2023-10-03","22:56:50",""
"7714102","9.6037","0.0005","16.1076","0.0008","22.4447","0.001","110.61","0.003","98.326","0.003","93.649","0.003","3190.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.4 H79.75 Cl4 F1.65 Ge2 N4 P2 -","- C54 H73 Cl4 F Ge2 N4 P2 -","- C108 H146 Cl8 F2 Ge4 N8 P4 -","2","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0651","0.0526","","","0.1399","0.1524","","","","","","1.018","","","","has coordinates,has disorder","286642","2023-10-03","22:56:57",""
"7714103","8.8637","0.0009","13.6251","0.0014","15.3577","0.0016","90","","90","","90","","1854.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N2 P -","- C18 H27 N2 P -","- C72 H108 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0535","0.0393","","","0.0873","0.0937","","","","","","1.023","","","","has coordinates,has disorder","286642","2023-10-03","22:57:13",""
"7714104","10.9389","0.0003","16.6305","0.0004","25.9319","0.0006","90","","90","","90","","4717.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 N2 P -","- C24 H39 N2 P -","- C192 H312 N16 P8 -","8","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0349","0.0329","","","0.089","0.0917","","","","","","1.063","","","","has coordinates,has disorder","286642","2023-10-03","22:57:16",""
"7714105","8.7735","0.0007","15.3647","0.0012","16.7707","0.0013","76.373","0.003","89.218","0.003","83.018","0.002","2180.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 Cl6 Ge2 N4 P2 -","- C36 H44 Cl4 Ge2 N4 P2 -","- C72 H88 Cl8 Ge4 N8 P4 -","2","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0278","0.0263","","","0.0672","0.0684","","","","","","1.035","","","","has coordinates,has disorder","286642","2023-10-03","22:57:34",""
"7714106","10.9493","0.0003","11.5418","0.0003","15.7607","0.0004","81.376","0.001","80.223","0.001","85.766","0.001","1938.24","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H56 N4 P2 -","- C42 H56 N4 P2 -","- C84 H112 N8 P4 -","2","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0459","0.0393","","","0.1041","0.1101","","","","","","1.035","","","","has coordinates,has disorder","286642","2023-10-03","22:57:37",""
"7714107","16.679","0.002","17.697","0.002","18.581","0.003","89.3374","0.0023","73.1646","0.0021","78.0995","0.0022","5129.8","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H43 N2 P -","- C26 H43 N2 P -","- C208 H344 N16 P8 -","8","4","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.1212","0.0578","","","0.1201","0.1499","","","","","","1.008","","","","has coordinates,has disorder","286642","2023-10-03","22:57:40",""
"7714108","7.8701","0.0007","11.584","0.0011","14.7103","0.0013","100.26","0.003","90.7","0.003","97.224","0.003","1308.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Cu F6 N4 O8 S2 -","- C21 H18 Cu F6 N4 O8 S2 -","- C42 H36 Cu2 F12 N8 O16 S4 -","2","1","","Raju, Selvam; Teimouri, Mohsen; Adhikari, Bhupendra; Donnadieu, Bruno; Stokes, Sean L.; Emerson, Joseph","Copper–complexes for Chemoselective N-arylation of Arylamines and Sulfanilamides via Chan-Evans-Lam Cross-Coupling","Dalton Transactions","2023","","","","","10.1039/D3DT02659K","","","0.71073","MoKα","","0.0614","0.0604","","","0.1412","0.1419","","","","","","1.039","","","","has coordinates","286659","2023-10-04","22:52:32",""
"7714109","16.6076","0.0015","17.1151","0.0016","29.84","0.003","97.547","0.003","101.929","0.003","100.646","0.003","8028","1.3","160","2","160.02","","","","","","","","","7","P -1","-P 1","2","","C88 H140 Bi20 K4 N14 O34 Rh12","","- C88 H140 Bi20 K4 N14 O34 Rh12 -","- C88 H140 Bi20 K4 N14 O34 Rh12 -","- C176 H280 Bi40 K8 N28 O68 Rh24 -","2","1","","Zang, Yipeng; Wang, Yuyue; Sang, Rui-Li; Xu, Li","Dimeric polybismuth heteroanion of [Rh@Bi10(RhCO)5]2- built of Bi10-bowl and Rh@(Rh-CO)5 square pyramidal","Dalton Transactions","2023","","","","","10.1039/D3DT02402D","","","0.71073","MoKα","","0.0759","0.0485","","","0.1006","0.1132","","","","","","1.019","","","","has coordinates","286660","2023-10-04","22:53:00",""
"7714110","12.3216","0.0002","26.5103","0.0011","14.8679","0.0003","90","","92.768","0.002","90","","4850.9","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Br0.17 Cl0.85 N5 O1.5 P2 Ru -","- C53 H52 Br0.175 Cl0.85 N5 P2 Ru -","- C212 H208 Br0.7 Cl3.4 N20 P8 Ru4 -","4","1","","Singh, Rahul Kumar; Yadav, Dibya; Misra, Shilpi; Singh, Amrendra Kumar","Role of Ancillary Ligands in Selectivity Towards Acceptorless Dehydrogenation versus Dehydrogenative Coupling of Alcohols and Amines Catalyzed by Cationic Ruthenium(II)-CNC Pincer Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03149G","","","1.54184","CuKα","","0.0918","0.0719","","","0.1823","0.2003","","","","","","1.058","","","","has coordinates","286661","2023-10-04","22:53:40",""
"7714111","11.3804","0.0002","11.0157","0.0002","24.3528","0.0004","90","","96.679","0.002","90","","3032.22","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl2 N5 O5 Ru S2 -","- C21 H39 Cl2 N5 O5 Ru S2 -","- C84 H156 Cl8 N20 O20 Ru4 S8 -","4","1","","Singh, Rahul Kumar; Yadav, Dibya; Misra, Shilpi; Singh, Amrendra Kumar","Role of Ancillary Ligands in Selectivity Towards Acceptorless Dehydrogenation versus Dehydrogenative Coupling of Alcohols and Amines Catalyzed by Cationic Ruthenium(II)-CNC Pincer Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03149G","","","1.54184","CuKα","","0.0909","0.0866","","","0.2388","0.2488","","","","","","1.039","","","","has coordinates","286661","2023-10-04","22:53:41",""
"7714112","9.8281","0.0002","10.036","0.0003","11.5195","0.0003","69.74","0.005","68.754","0.005","88.267","0.006","987.57","0.07","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 B F3 N2 O3 S -","- C18 H26 B F3 N2 O3 S -","- C36 H52 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.0439","0.0375","","","0.1322","0.1371","","","","","","1.146","","","","has coordinates","286662","2023-10-04","22:55:09",""
"7714113","10.0315","0.0005","10.2684","0.0005","10.3623","0.0005","103.937","0.007","93.072","0.007","102.395","0.007","1005.56","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H28 B F3 N2 O3 S -","- C19 H28 B F3 N2 O3 S -","- C38 H56 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.0703","0.0508","","","0.1352","0.1481","","","","","","0.954","","","","has coordinates","286662","2023-10-04","22:55:09",""
"7714114","8.799","0.0002","25.3142","0.0008","10.768","0.0003","90","","110.343","0.008","90","","2248.86","0.16","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 B F3 N2 O3 S -","- C21 H30 B F3 N2 O3 S -","- C84 H120 B4 F12 N8 O12 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.106","0.093","","","0.2686","0.279","","","","","","1.026","","","","has coordinates","286662","2023-10-04","22:55:10",""
"7714115","10.0569","0.0003","10.2766","0.0003","10.9148","0.0004","71.12","0.005","75.442","0.005","75.444","0.005","1015.14","0.07","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H24 B F3 N2 O3 S -","- C21 H24 B F3 N2 O3 S -","- C42 H48 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.0501","0.0366","","","0.1119","0.1216","","","","","","0.932","","","","has coordinates","286662","2023-10-04","22:55:10",""
"7714116","6.5214","0.0002","20.7113","0.0006","9.6322","0.0003","90","","106.55","0.008","90","","1247.09","0.08","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H38 B F3 N2 O3 S -","- C23 H38 B F3 N2 O3 S -","- C46 H76 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.0416","0.0385","","","0.1148","0.1181","","","","","","0.964","","","","has coordinates","286662","2023-10-04","22:55:10",""
"7714117","12.9139","0.0003","13.4889","0.0003","12.1207","0.0003","90","","90","","90","","2111.36","0.09","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H30 B F3 N2 O3 S -","- C17 H30 B F3 N2 O3 S -","- C68 H120 B4 F12 N8 O12 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.05","0.047","","","0.1411","0.1444","","","","","","1.24","","","","has coordinates","286662","2023-10-04","22:55:10",""
"7714118","9.183","0.0012","12.2668","0.0016","12.3522","0.0017","109.281","0.003","104.699","0.003","100.447","0.003","1215.7","0.3","299","2","299","2","","","","","","","","3","P -1","-P 1","2","","","","- Ba6 Se12 Si2 -","- Ba6 Se12 Si2 -","- Ba12 Se24 Si4 -","2","1","","Menezes, Luke T.; Assoud, Abdeljalil; Kleinke, Holger","Phase Width, and Physical Properties of the Barium Tetrel Selenides Ba6Si2-xGexSe12 (x = 0, 0.5, 1, and 1.5) with Ultralow Thermal Conductivity","Dalton Transactions","2023","","","","","10.1039/D3DT02516K","","","0.71073","MoKα","","0.0704","0.0574","","","0.1751","0.1791","","","","","","1.175","","","","has coordinates,has disorder","286663","2023-10-04","22:56:18",""
"7714119","15.9001","0.0017","14.3514","0.0016","12.5626","0.0012","90","","103.094","0.004","90","","2792.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 Ge Mn P4 -","- C24 H43 Ge Mn P4 -","- C96 H172 Ge4 Mn4 P16 -","4","1","","Price, Jeffrey S.; Vargas-Baca, Ignacio; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)] with hydrogermanes to form germylene, germyl, hydrogermane, and germanide complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02437g","","","0.71073","MoKα","","0.0302","0.0247","","","0.0643","0.0664","","","","","","1.045","","","","has coordinates","286690","2023-10-05","22:49:51",""
"7714120","26.777","0.018","9.568","0.003","9.796","0.005","90","","109.1","0.01","90","","2372","2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H84 Ge2 Mn2 O P8 -","- C32 H84 Ge2 Mn2 O P8 -","- C64 H168 Ge4 Mn4 O2 P16 -","2","0.5","","Price, Jeffrey S.; Vargas-Baca, Ignacio; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)] with hydrogermanes to form germylene, germyl, hydrogermane, and germanide complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02437g","","","0.71073","MoKα","","0.1031","0.0604","","","0.1473","0.1562","","","","","","0.95","","","","has coordinates,has disorder","286690","2023-10-05","22:50:01",""
"7714121","8.9471","0.0017","16.251","0.008","16.702","0.004","90","","96.35","0.02","90","","2413.6","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ge Mn P4 -","- C18 H39 Ge Mn P4 -","- C72 H156 Ge4 Mn4 P16 -","4","1","","Price, Jeffrey S.; Vargas-Baca, Ignacio; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)] with hydrogermanes to form germylene, germyl, hydrogermane, and germanide complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02437g","","","0.71073","MoKα","","0.0438","0.0301","","","0.0705","0.0742","","","","","","1.021","","","","has coordinates","286690","2023-10-05","22:50:03",""
"7714122","17.673","0.002","17.979","0.007","11.97","0.003","90","","101.283","0.018","90","","3729.9","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H66 Ge Mn2 P8 -","- C24 H66 Ge Mn2 P8 -","- C96 H264 Ge4 Mn8 P32 -","4","1","","Price, Jeffrey S.; Vargas-Baca, Ignacio; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)] with hydrogermanes to form germylene, germyl, hydrogermane, and germanide complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02437g","","","0.71073","MoKα","","0.0397","0.0321","","","0.0732","0.0751","","","","","","1.185","","","","has coordinates","286690","2023-10-05","22:50:13",""
"7714123","5.1711","0.0001","8.6207","0.0001","18.5151","0.0002","90","","90","","90","","825.38","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H4 Li O10 S2 Sc -","- H4 Li O10 S2 Sc -","- H16 Li4 O40 S8 Sc4 -","4","1","","Geng, Zilong; Tang, Hong-Xin; Fu, Ruibiao; Ma, Zuju; Wu, Xintao","A Lithium-Scandium Sulfate with Second-Harmonic Generation Response and Deep-Ultraviolet Transparency","Dalton Transactions","2023","","","","","10.1039/D3DT03071G","","x-ray","1.3405","GaKα","","0.0222","0.022","","","0.0597","0.0598","","","","","","1.1","","","","has coordinates","286691","2023-10-05","22:50:59",""
"7714124","10.9192","0.0003","10.9751","0.0003","18.2572","0.0005","90","","90","","90","","2187.93","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Bi N6 S3 -","- C18 H21 Bi N6 S3 -","- C72 H84 Bi4 N24 S12 -","4","1","","Kulkarni, Atharva Yeshwant; Karmakar, Gourab; Shah, Alpa Y.; Nigam, Sandeep; Kumbhare, Gayatri; Tyagi, Adish; Butcher, Raymond J.; Chauhan, Rohit Singh; Kumar, N. Naveen","Controlled Synthesis of Photoresponsive Bismuthinite (Bi2S3) Nanostructures Mediated Through a New 1D Bismuth-pyrimidylthiolate Coordination Polymer as Molecular Precursor","Dalton Transactions","2023","","","","","10.1039/D3DT02143B","","","0.41328","synchrotron","","0.0159","0.0157","","","0.0352","0.0352","","","","","","1.044","","","","has coordinates","286832","2023-10-06","22:56:51",""
"7714125","20.7756","0.0017","23.3714","0.0019","10.0722","0.0008","90","","90","","90","","4890.6","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Br I N2 Pt -","- C16 H12 Br I N2 Pt -","- C192 H144 Br12 I12 N24 Pt12 -","12","1.5","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0286","0.0271","","","0.0557","0.0562","","","","","","1.21","","","","has coordinates","286833","2023-10-06","22:58:49",""
"7714126","11.6368","0.0005","15.3999","0.0012","8.9903","0.0007","90","","94.531","0.005","90","","1606.08","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl I N2 Pt -","- C16 H12 Cl I N2 Pt -","- C64 H48 Cl4 I4 N8 Pt4 -","4","1","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0338","0.0281","","","0.0547","0.0574","","","","","","1.042","","","","has coordinates,has disorder","286833","2023-10-06","22:58:49",""
"7714127","7.3445","0.0001","11.2531","0.0002","21.0064","0.0004","90","","98.666","0.002","90","","1716.32","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br I N2 O Pt -","- C18 H12 Br I N2 O Pt -","- C72 H48 Br4 I4 N8 O4 Pt4 -","4","1","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","x-ray","0.71073","MoKα","","0.0258","0.0212","","","0.0434","0.045","","","","","","1.064","","","","has coordinates","286833","2023-10-06","22:58:49",""
"7714128","13.6171","0.0004","12.2009","0.0003","13.7764","0.0004","90","","106.076","0.003","90","","2199.32","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 I2 N2 O2 Pt -","- C22 H16 I2 N2 O2 Pt -","- C88 H64 I8 N8 O8 Pt4 -","4","1","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0232","0.0198","","","0.0453","0.0467","","","","","","1.063","","","","has coordinates","286833","2023-10-06","22:58:50",""
"7714129","9.283","0.0006","12.6518","0.0008","21.0436","0.0015","90","","90","","99.172","0.003","2439.9","0.3","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cl I N2 O2 Pt -","- C22 H16 Cl I N2 O2 Pt -","- C88 H64 Cl4 I4 N8 O8 Pt4 -","4","2","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0612","0.0524","","","0.1386","0.1447","","","","","","1.013","","","","has coordinates","286833","2023-10-06","22:58:50",""
"7714130","16.2664","0.0003","9.3324","0.0002","23.3511","0.0005","90","","90","","90","","3544.8","0.13","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl I N2 Pt S -","- C18 H12 Cl I N2 Pt S -","- C144 H96 Cl8 I8 N16 Pt8 S8 -","8","1","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0193","0.0173","","","0.0372","0.0379","","","","","","1.148","","","","has coordinates","286833","2023-10-06","22:58:50",""
"7714131","20.9097","0.0008","11.5922","0.0003","31.8136","0.0009","90","","107.886","0.004","90","","7338.6","0.4","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C18 H12 Cl I N2 O Pt -","- C18 H12 Cl I N2 O Pt -","- C288 H192 Cl16 I16 N32 O16 Pt16 -","16","4","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0906","0.0797","","","0.1893","0.1968","","","","","","1.098","","","","has coordinates","286833","2023-10-06","22:58:50",""
"7714132","10.2865","0.0002","23.5155","0.0007","20.9909","0.0004","90","","90","","90","","5077.5","0.2","100","2","100","2","","","","","","","","5","P c m n","-P 2n 2ac","62","","","","- C16 H12 I2 N2 Pt -","- C16 H12 I2 N2 Pt -","- C192 H144 I24 N24 Pt12 -","12","1.5","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0753","0.074","","","0.1674","0.168","","","","","","1.399","","","","has coordinates,has disorder","286833","2023-10-06","22:58:50",""
"7714133","23.4868","0.0001","18.5731","0.0001","16.4848","0.0001","90","","90","","90","","7191.04","0.07","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H12 Br I N2 Pt S -","- C18 H12 Br I N2 Pt S -","- C288 H192 Br16 I16 N32 Pt16 S16 -","16","4","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","x-ray","1.54184","CuKα","","0.0783","0.0781","","","0.173","0.1731","","","","","","1.056","","","","has coordinates","286833","2023-10-06","22:58:51",""
"7714134","16.9215","0.0007","16.9436","0.0007","17.6659","0.0008","72.604","0.002","69.82","0.002","60.055","0.002","4069.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C79.5 H90 B3 Cu3 F18 N6 -","- C79.5 H90 B3 Cu3 F18 N6 -","- C159 H180 B6 Cu6 F36 N12 -","2","1","","Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, Rasika","Filling the gap with a bulky diaryl boron group: fluorinated and non-fluorinated copper pyrazolates fitted with a dimesityl boron moiety on the backbone","Dalton Transactions","2023","","","","","10.1039/D3DT03167E","","x-ray","0.71073","MoKα","K-L~3~","0.0617","0.0436","","","0.1014","0.1093","","","","","","1.014","","","","has coordinates,has disorder","286834","2023-10-06","23:00:08",""
"7714135","13.9999","0.0005","16.143","0.0005","17.2755","0.0006","109.624","0.002","93.285","0.002","105.508","0.002","3496.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H99 B3 Cu3 N6 -","- C76 H99 B3 Cu3 N6 -","- C152 H198 B6 Cu6 N12 -","2","1","","Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, Rasika","Filling the gap with a bulky diaryl boron group: fluorinated and non-fluorinated copper pyrazolates fitted with a dimesityl boron moiety on the backbone","Dalton Transactions","2023","","","","","10.1039/D3DT03167E","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0441","","","0.1078","0.1161","","","","","","1.009","","","","has coordinates,has disorder","286834","2023-10-06","23:00:09",""
"7714136","29.2455","0.0014","13.7868","0.0007","12.798","0.0006","90","","90","","90","","5160.2","0.4","200","","200","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C59 H45 Ir N4 O8 -","- C59 H45 Ir N4 O8 -","- C236 H180 Ir4 N16 O32 -","4","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","x-ray","0.71073","MoKα","","0.0521","0.0308","","","0.0747","0.0881","","","","","","1.086","","","","has coordinates,has disorder","286835","2023-10-06","23:03:34",""
"7714137","21.0487","0.0009","15.2627","0.0006","23.7169","0.001","90","","98.824","0.002","90","","7529.1","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H56 Cl14 Ir2 N8 -","- C80 H56 Cl14 Ir2 N8 -","- C320 H224 Cl56 Ir8 N32 -","4","0.5","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0424","0.0308","","","0.0645","0.0681","","","","","","1.028","","","","has coordinates","286835","2023-10-06","23:03:35",""
"7714138","12.8762","0.0011","12.9389","0.0011","15.9754","0.0015","80.087","0.003","89.178","0.003","69.118","0.003","2446.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H46 Cl2 Ir N5 O4 -","- C60 H46 Cl2 Ir N5 O4 -","- C120 H92 Cl4 Ir2 N10 O8 -","2","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0529","0.0392","","","0.0824","0.0883","","","","","","1.05","","","","has coordinates,has disorder","286835","2023-10-06","23:03:35",""
"7714139","15.1677","0.0014","17.1131","0.0017","20.8414","0.0018","69.915","0.003","80.152","0.003","72.408","0.004","4829.4","0.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C52.5 H37.5 F1.5 Ir N6 O7.5 S0.5 -","- C52.5 H37.5 F1.5 Ir N6 O7.5 S0.5 -","- C210 H150 F6 Ir4 N24 O30 S2 -","4","2","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0931","0.0557","","","0.1147","0.1283","","","","","","1.03","","","","has coordinates,has disorder","286835","2023-10-06","23:03:35",""
"7714140","13.7388","0.0005","12.7766","0.0005","28.3069","0.0009","90","","90","","90","","4968.9","0.3","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C57 H39 Cl2 Ir N4 O6 -","- C57 H39 Cl2 Ir N4 O6 -","- C228 H156 Cl8 Ir4 N16 O24 -","4","0.5","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0341","0.0239","","","0.0522","0.0562","","","","","","1.063","","","","has coordinates","286835","2023-10-06","23:03:35",""
"7714141","12.7102","0.0007","14.9577","0.0008","15.6155","0.0008","115.494","0.0019","104.484","0.002","100.722","0.002","2443.6","0.2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H41 Ir N4 O6 S2 -","- C61 H41 Ir N4 O6 S2 -","- C122 H82 Ir2 N8 O12 S4 -","2","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.064","0.0443","","","0.0826","0.0899","","","","","","1.018","","","","has coordinates,has disorder","286835","2023-10-06","23:03:35",""
"7714142","13.2139","0.0005","24.0162","0.0016","13.8114","0.0008","90","","90.525","0.002","90","","4382.8","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H35 Cl2 Ir N4 O4 S -","- C53 H35 Cl2 Ir N4 O4 S -","- C212 H140 Cl8 Ir4 N16 O16 S4 -","4","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0797","0.0649","","","0.1562","0.1637","","","","","","1.141","","","","has coordinates,has disorder","286835","2023-10-06","23:03:36",""
"7714143","11.638","0.0003","12.0786","0.0004","18.5157","0.0005","91.208","0.001","96.294","0.001","100.494","0.001","2541.56","0.13","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H38 Cl F6 Ir N4 O4.5 S -","- C56 H38 Cl F6 Ir N4 O4.5 S -","- C112 H76 Cl2 F12 Ir2 N8 O9 S2 -","2","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0477","0.045","","","0.1164","0.1179","","","","","","1.154","","","","has coordinates,has disorder","286835","2023-10-06","23:03:36",""
"7714144","20.4091","0.0008","15.0372","0.0005","25.0183","0.0011","90","","99.107","0.002","90","","7581.2","0.5","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H52 Cl14 F4 Ir2 N8 -","- C80 H52 Cl14 F4 Ir2 N8 -","- C320 H208 Cl56 F16 Ir8 N32 -","4","0.5","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0536","0.0406","","","0.1014","0.1092","","","","","","1.041","","","","has coordinates,has disorder","286835","2023-10-06","23:03:36",""
"7714145","12.8139","0.0005","38.9724","0.0016","21.0645","0.0009","90","","98.468","0.001","90","","10404.7","0.7","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H36.5 Ag F1.5 Ir N6 O7.5 S0.5 -","- C52.5 H36.5 Ag F1.5 Ir N6 O7.5 S0.5 -","- C420 H292 Ag8 F12 Ir8 N48 O60 S4 -","8","2","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.1049","0.0569","","","0.1281","0.1475","","","","","","1.033","","","","has coordinates,has disorder","286835","2023-10-06","23:03:36",""
"7714146","20.285","0.0008","21.148","0.0008","28.2673","0.0011","80.199","0.001","71.523","0.001","81.644","0.001","11279.1","0.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40.83 H29.08 F Ir0.67 N6.25 O3.67 S1.67 -","- C40.8333 H29.0833 F Ir0.666667 N6.25 O3.66667 S1.66667 -","- C490 H349 F12 Ir8 N75 O44 S20 -","12","6","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0558","0.0373","","","0.0723","0.078","","","","","","1.02","","","","has coordinates,has disorder","286835","2023-10-06","23:03:36",""
"7714147","11.387","0.0009","22.3107","0.0018","18.4099","0.0014","90","","102.871","0.003","90","","4559.6","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H35 F2 Ir N4 O4 S -","- C53 H35 F2 Ir N4 O4 S -","- C212 H140 F8 Ir4 N16 O16 S4 -","4","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0659","0.0469","","","0.1074","0.1161","","","","","","1.08","","","","has coordinates","286835","2023-10-06","23:03:36",""
"7714148","20.4452","0.0006","15.2416","0.0004","23.5774","0.0007","90","","108.145","0.001","90","","6981.8","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H64 Cl2 Ir2 N8 O5 -","- C81 H64 Cl2 Ir2 N8 O5 -","- C324 H256 Cl8 Ir8 N32 O20 -","4","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0536","0.0372","","","0.0915","0.0997","","","","","","1.026","","","","has coordinates","286835","2023-10-06","23:03:36",""
"7714149","13.0955","0.0003","19.1698","0.0006","19.399","0.0005","103.967","0.001","93.277","0.001","101.953","0.001","4593.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C101.8 H71.6 Cl5.6 Ir2 N8 -","- C101.8 H71.6 Cl5.6 Ir2 N8 -","- C203.6 H143.2 Cl11.2 Ir4 N16 -","2","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","","0.71073","MoKα","","0.0607","0.0416","","","0.0951","0.1013","","","","","","1.022","","","","has coordinates,has disorder","286835","2023-10-06","23:03:36",""
"7714150","31.694","0.003","9.62","0.0008","16.0832","0.0013","90","","100.727","0.003","90","","4818","0.7","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H76 Cd3 N16 O17.8 S1.6 -","- C76 H63.6 Cd3 N16 O11.6 S1.6 -","- C152 H127.2 Cd6 N32 O23.2 S3.2 -","2","0.5","","Guo, Yuanyuan; Wang, Ruidong; Wei, Wei-Ming; Fang, Fang; Zhao, Xu-Hui; Zhang, Suo-Shu; Shen, Tian-Ze; Zhang, Jun; Zhao, Qi-Hua; Wang, Juan","Structure and properties of metal-organic frameworks precisely modulated by sulfate ion","Dalton Transactions","2023","","","","","10.1039/D3DT01995K","","","0.71073","MoKα","","0.1196","0.08","","","0.207","0.2421","","","","","","1.053","","","","has coordinates,has disorder","286836","2023-10-06","23:05:36",""
"7714151","32.054","0.003","9.6261","0.0009","31.428","0.003","90","","101.06","0.002","90","","9517.2","1.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H84 Cd3 N16 O26 S3 -","- C76 H64 Cd3 N16 O16 S3 -","- C304 H256 Cd12 N64 O64 S12 -","4","0.5","","Guo, Yuanyuan; Wang, Ruidong; Wei, Wei-Ming; Fang, Fang; Zhao, Xu-Hui; Zhang, Suo-Shu; Shen, Tian-Ze; Zhang, Jun; Zhao, Qi-Hua; Wang, Juan","Structure and properties of metal-organic frameworks precisely modulated by sulfate ion","Dalton Transactions","2023","","","","","10.1039/D3DT01995K","","","0.71073","MoKα","","0.0963","0.0735","","","0.1946","0.2066","","","","","","1.067","","","","has coordinates,has disorder","286836","2023-10-06","23:05:37",""
"7714152","8.2831","0.0017","9.6777","0.0019","10.192","0.002","73.15","0.03","76.8","0.03","80.7","0.03","757.3","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H24 N2 O8 Pt -","- C10 H24 N2 O8 Pt -","- C20 H48 N4 O16 Pt2 -","2","2","","Maier, Thomas; Wutschitz, Judith; Gajic, Natalie; Hejl, Michaela; Cseh, Klaudia; Mai, Sebastian; Jakupec, Michael; Galanski, Mathea Sophia; Keppler, Bernhard K.","Not the usual suspect – an unexpected organometallic product during the synthesis of a cytotoxic platinum(II) complex","Dalton Transactions","2023","","","","","10.1039/D3DT01736B","","x-ray","1.54186","CuKα","","0.0185","0.0178","","","0.0459","0.0462","","","","","","1.048","","","","has coordinates","286837","2023-10-06","23:06:10",""
"7714153","16.2283","0.0009","10.6693","0.0005","11.2552","0.0006","90","","100.13","0.002","90","","1918.4","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Cl P2 Pd S -","- C14 H27 Cl P2 Pd S -","- C56 H108 Cl4 P8 Pd4 S4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0172","0.0169","","","0.0424","0.0426","","","","","","1.076","","","","has coordinates","286838","2023-10-06","23:08:21",""
"7714154","21.1827","0.0013","15.1442","0.0009","10.0918","0.0006","90","","102.06","0.002","90","","3165.9","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Cl Fe N P Pd S -","- C37 H33 Cl Fe N P Pd S -","- C148 H132 Cl4 Fe4 N4 P4 Pd4 S4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0218","0.0203","","","0.0483","0.0495","","","","","","1.104","","","","has coordinates,has disorder","286838","2023-10-06","23:08:22",""
"7714155","36.1427","0.0007","7.311","0.0002","14.53","0.0004","90","","101.74","0.001","90","","3759.08","0.16","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 B F4 Fe N2 -","- C20 H21 B F4 Fe N2 -","- C160 H168 B8 F32 Fe8 N16 -","8","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0339","0.0319","","","0.0812","0.0826","","","","","","1.051","","","","has coordinates","286838","2023-10-06","23:08:22",""
"7714156","18.3903","0.0007","17.3243","0.0009","21.8453","0.0012","90","","90","","90","","6959.9","0.6","120","2","120","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C38 H36 B Cl F4 Fe N P Pd S -","- C38 H36 B Cl F4 Fe N P Pd S -","- C304 H288 B8 Cl8 F32 Fe8 N8 P8 Pd8 S8 -","8","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0671","0.0416","","","0.104","0.1195","","","","","","1.034","","","","has coordinates","286838","2023-10-06","23:08:22",""
"7714157","21.4864","0.0007","15.0931","0.0005","10.2377","0.0003","90","","103.377","0.001","90","","3229.97","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl Fe N2 P Pd -","- C38 H36 Cl Fe N2 P Pd -","- C152 H144 Cl4 Fe4 N8 P4 Pd4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0502","0.0333","","","0.0664","0.0712","","","","","","1.013","","","","has coordinates","286838","2023-10-06","23:08:22",""
"7714158","10.3488","0.0005","13.782","0.0007","17.1619","0.0009","101.004","0.002","95.44","0.002","96.566","0.002","2369.9","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H30.7 Cl Fe N2 O0.35 P Pd -","- C23 H30.707 Cl Fe N2 O0.3535 P Pd -","- C92 H122.828 Cl4 Fe4 N8 O1.414 P4 Pd4 -","4","2","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0225","0.0208","","","0.05","0.051","","","","","","1.078","","","","has coordinates,has disorder","286838","2023-10-06","23:08:22",""
"7714159","14.8935","0.0004","10.3396","0.0003","17.0483","0.0005","90","","95.193","0.001","90","","2614.54","0.13","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 B Cl F4 Fe N2 P Pd -","- C24 H33 B Cl F4 Fe N2 P Pd -","- C96 H132 B4 Cl4 F16 Fe4 N8 P4 Pd4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0243","0.0229","","","0.0599","0.061","","","","","","1.034","","","","has coordinates","286838","2023-10-06","23:08:23",""
"7714160","19.1161","0.0007","11.5322","0.0004","20.5774","0.0008","90","","116.782","0.001","90","","4049.7","0.3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 B Cl4 F4 Fe N2 P Pd -","- C40 H40 B Cl4 F4 Fe N2 P Pd -","- C160 H160 B4 Cl16 F16 Fe4 N8 P4 Pd4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0496","0.0356","","","0.0821","0.0903","","","","","","1.021","","","","has coordinates","286838","2023-10-06","23:08:23",""
"7714161","8.9162","0.0005","17.4114","0.0009","15.0731","0.0007","90","","104.774","0.002","90","","2262.6","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl Fe N P Pd S -","- C22 H27 Cl Fe N P Pd S -","- C88 H108 Cl4 Fe4 N4 P4 Pd4 S4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0241","0.0222","","","0.0536","0.0545","","","","","","1.078","","","","has coordinates","286838","2023-10-06","23:08:23",""
"7714162","14.7586","0.0006","10.3653","0.0004","17.0751","0.0006","90","","97.684","0.001","90","","2588.65","0.17","120","2","120","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B Cl F4 Fe N P Pd S -","- C23 H30 B Cl F4 Fe N P Pd S -","- C92 H120 B4 Cl4 F16 Fe4 N4 P4 Pd4 S4 -","4","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0466","0.0449","","","0.1041","0.105","","","","","","1.064","","","","has coordinates,has disorder","286838","2023-10-06","23:08:23",""
"7714163","26.4044","0.0008","35.6894","0.0011","17.4068","0.0005","90","","90","","90","","16403.4","0.9","273","2","273","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H14 Cu N O5 -","- C23 H14 Cu N O5 -","- C368 H224 Cu16 N16 O80 -","16","1","","Yu, Xueyue; Huang, Ziyang; Krishna, Rajamani; Luo, Xiaolong; Liu, Yunling","An Ethynyl-Modified Interpenetrated Metal-Organic Framework for Highly Efficient Selective Gas Adsorption","Dalton Transactions","2023","","","","","10.1039/D3DT02834H","","","0.71073","MoKα","","0.0837","0.0489","","","0.1452","0.1758","","","","","","1.011","","","","has coordinates,has disorder","286846","2023-10-07","22:50:03",""
"7714164","11.2786","0.0007","19.0407","0.0011","8.7371","0.0005","90","","104.92","0.003","90","","1813.06","0.19","100","1","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sn(tbip)2","","","- C16 H30 N4 Sn -","- C16 H30 N4 Sn -","- C64 H120 N16 Sn4 -","4","1","","Park, Hyeonbin; Choi, Heenang; Shin, Sunyoung; Park, Bo Keun; Kang, Kibum; Ryu, Ji Yeon; Eom, Taeyong; Chung, Taek-Mo","Evaluation of tin nitride (Sn<sub>3</sub>N<sub>4</sub>) <i>via</i> atomic layer deposition using novel volatile Sn precursors.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02138f","","x-ray","0.71073","MoKα","","0.0351","0.0281","","","0.0632","0.0659","","","","","","1.0084","","","","has coordinates","286856","2023-10-09","22:59:10",""
"7714165","12.1302","0.0004","10.2568","0.0004","16.2262","0.0005","90","","102.831","0.001","90","","1968.4","0.12","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Sn(tbtp)2","","","- C18 H34 N4 Sn -","- C18 H34 N4 Sn -","- C72 H136 N16 Sn4 -","4","1","","Park, Hyeonbin; Choi, Heenang; Shin, Sunyoung; Park, Bo Keun; Kang, Kibum; Ryu, Ji Yeon; Eom, Taeyong; Chung, Taek-Mo","Evaluation of tin nitride (Sn<sub>3</sub>N<sub>4</sub>) <i>via</i> atomic layer deposition using novel volatile Sn precursors.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02138f","","","0.71073","MoKα","","0.0287","0.0257","","","0.0619","0.0636","","","","","","1.068","","","","has coordinates","286856","2023-10-09","22:59:11",""
"7714166","9.4658","0.0007","12.5449","0.0009","18.9905","0.0013","90","","90","","90","","2255.1","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sn(tbta)2","","","- C20 H38 N4 Sn -","- C20 H38 N4 Sn -","- C80 H152 N16 Sn4 -","4","1","","Park, Hyeonbin; Choi, Heenang; Shin, Sunyoung; Park, Bo Keun; Kang, Kibum; Ryu, Ji Yeon; Eom, Taeyong; Chung, Taek-Mo","Evaluation of tin nitride (Sn<sub>3</sub>N<sub>4</sub>) <i>via</i> atomic layer deposition using novel volatile Sn precursors.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02138f","","","0.71073","MoKa","","0.0181","0.0173","","","0.0446","0.0451","","","","","","1.093","","","","has coordinates","286856","2023-10-09","22:59:12",""
"7714167","25.2714","0.0001","21.698","0.0001","9.8415","0.0001","90","","90","","90","","5396.48","0.06","180","0.1","180","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28.5 H25 F3 I N O5 S -","- C26 H19 F3 I N O5 S -","- C208 H152 F24 I8 N8 O40 S8 -","8","1","","Dutton, Jason Laurence; _, Tania; Barwise, Lachlan; Bennetts, Jason; White, Keith Forrest; Sceney, Marcus","C-H, Si-H and C-F abstraction with an extremely electron poor I(III) reagent","Dalton Transactions","2023","","","","","10.1039/D3DT03266C","","x-ray","1.54184","CuKα","","0.0447","0.0437","","","0.1224","0.1235","","","","","","1.114","","","","has coordinates,has disorder","286857","2023-10-09","22:59:51",""
"7714168","6.5936","0.0003","7.3352","0.0003","8.9175","0.0004","87.798","0.002","68.761","0.002","65.494","0.002","362.6","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H28 B2 P2 -","- C10 H28 B2 P2 -","- C10 H28 B2 P2 -","1","0.5","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0254","0.0231","","","0.0641","0.0655","","","","","","1.131","","","","has coordinates","286882","2023-10-10","22:56:02",""
"7714169","10.8122","0.0007","13.4175","0.001","9.8646","0.0007","90","","110.905","0.005","90","","1336.88","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 B2 P2 -","- C30 H36 B2 P2 -","- C60 H72 B4 P4 -","2","0.5","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0759","0.046","","","0.1042","0.1164","","","","","","1.053","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714170","9.432","0.003","12.445","0.004","12.565","0.004","61.291","0.004","89.1","0.005","86.711","0.005","1291.3","0.7","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 B2 Cl6 P2 Rh2 -","- C48 H68 B2 Cl6 P2 Rh2 -","- C48 H68 B2 Cl6 P2 Rh2 -","1","0.5","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0631","0.0357","","","0.0597","0.0637","","","","","","0.778","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714171","11.677","0.002","21.878","0.004","15.393","0.003","90","","111.64","0.03","90","","3655.3","1.4","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H28 B2 Cl2 P2 Pt -","- C10 H28 B2 Cl2 P2 Pt -","- C80 H224 B16 Cl16 P16 Pt8 -","8","2","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0587","0.0534","","","0.1328","0.1361","","","","","","1.074","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714172","9.1435","0.0005","11.7779","0.0006","12.7866","0.0006","63.032","0.002","87.633","0.002","77.146","0.002","1193.7","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H76 B2 Cl4 P2 Rh4 -","- C42 H76 B2 Cl4 P2 Rh4 -","- C42 H76 B2 Cl4 P2 Rh4 -","1","0.5","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0311","0.0257","","","0.0595","0.0617","","","","","","1.046","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714173","11.1508","0.0003","11.6995","0.0003","19.2461","0.0005","100.611","0.001","91.798","0.001","101.392","0.001","2413.28","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H62 B2 Cl4 Ir2 P2 -","- C47 H62 B2 Cl4 Ir2 P2 -","- C94 H124 B4 Cl8 Ir4 P4 -","2","1","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0706","0.0432","","","0.0882","0.0951","","","","","","1.105","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714174","11.1915","0.0016","11.7307","0.0017","19.199","0.003","100.853","0.003","92.045","0.003","101.711","0.002","2416.7","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H62 B2 Cl4 P2 Rh2 -","- C47 H62 B2 Cl4 P2 Rh2 -","- C94 H124 B4 Cl8 P4 Rh4 -","2","1","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0624","0.04","","","0.0832","0.0899","","","","","","1.045","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714175","9.9249","0.0007","10.4453","0.0007","17.2973","0.0012","76.388","0.003","76.482","0.003","64.243","0.003","1551.85","0.19","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","[PtCl29(Ph2PCH2BMe2)2]","","- C30 H36 B2 Cl2 P2 Pt -","- C30 H36 B2 Cl2 P2 Pt -","- C60 H72 B4 Cl4 P4 Pt2 -","2","1","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.021","0.02","","","0.0524","0.0527","","","","","","1.15","","","","has coordinates","286882","2023-10-10","22:56:04",""
"7714176","10.219","0.004","10.72","0.003","15.553","0.003","94.987","0.01","94.534","0.019","114.87","0.02","1527.3","0.8","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 B2 P2 Pt -","- C32 H42 B2 P2 Pt -","- C64 H84 B4 P4 Pt2 -","2","1","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0276","0.0234","","","0.0506","0.051","","","","","","1.042","","","","has coordinates","286882","2023-10-10","22:56:04",""
"7714177","9.9012","0.0018","22.77","0.006","19.527","0.005","90","","102.48","0.04","90","","4298.3","1.9","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C45 H54 B3 Cl P3 Rh -","- C45 H54 B3 Cl P3 Rh -","- C180 H216 B12 Cl4 P12 Rh4 -","4","2","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0382","0.0339","","","0.0795","0.081","","","","","","1.024","","","","has coordinates","286882","2023-10-10","22:56:04",""
"7714178","18.8277","0.0004","13.3793","0.0003","12.6036","0.0003","90","","98.105","0.001","90","","3143.15","0.12","100","2","99.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 B Cl Ir P -","- C13 H26 B Cl Ir P -","- C104 H208 B8 Cl8 Ir8 P8 -","8","2","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0562","0.0321","","","0.058","0.065","","","","","","1.031","","","","has coordinates","286882","2023-10-10","22:56:04",""
"7714179","6.4234","0.0002","6.5461","0.0002","7.9973","0.0002","68.07","0.001","68.594","0.001","82.66","0.001","290.407","0.015","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- Cd2 Cl2 O3 Te -","- Cd2 Cl2 O3 Te -","- Cd4 Cl4 O6 Te2 -","2","1","","Wang, Linan; Bai, Chen; Kong, Yingying; Iqbal, Maqsood; Chu, Yu; Li, Junjie","Synthesis, structure and characterizations of Cd2TeO3Cl2 with unprecedented [Cd2O6Cl4] octahedral dimers","Dalton Transactions","2023","","","","","10.1039/D3DT02515B","","","0.71073","MoKα","","0.0157","0.0139","","","0.0321","0.0324","","","","","","1.252","","","","has coordinates","286883","2023-10-10","22:57:07",""
"7714180","5.5694","0.0003","6.1838","0.0003","27.2625","0.001","90","","94.351","0.0015","90","","936.22","0.08","150","","150","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","0.5","","McMillion, Noah D.; Bruch, Quinton J.; Chen, Chun-Hsing; Hasanayn, Faraj; Miller, Alexander J. M.","Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02617e","","","0.71073","MoKα","","0.0674","0.0466","","0.1233","0.1137","0.1233","","","","","","0.9973","","","","has coordinates","286884","2023-10-10","22:57:54",""
"7714181","7.0838","0.0002","14.3946","0.0003","25.8235","0.0006","90","","91.8555","0.0012","90","","2631.8","0.11","150","","150","","","","101","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl2 F6 N4 O3 P Re -","- C24 H18 Cl2 F6 N4 O3 P Re -","- C96 H72 Cl8 F24 N16 O12 P4 Re4 -","4","1","","McMillion, Noah D.; Bruch, Quinton J.; Chen, Chun-Hsing; Hasanayn, Faraj; Miller, Alexander J. M.","Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02617e","","","1.5418","CuKα","","0.0299","0.0259","","0.0386","0.0386","0.0386","","","","","","0.9977","","","","has coordinates","286884","2023-10-10","22:57:54",""
"7714182","9.821","0.002","15.764","0.004","27.909","0.006","90","","91.793","0.014","90","","4318.7","1.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Cl2 N7 Na O8 Re -","- C40 H47 Cl2 N7 Na O8 Re -","- C160 H188 Cl8 N28 Na4 O32 Re4 -","4","1","","McMillion, Noah D.; Bruch, Quinton J.; Chen, Chun-Hsing; Hasanayn, Faraj; Miller, Alexander J. M.","Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02617e","","","1.5418","CuKα","","0.0886","0.0733","","0.1853","0.1752","0.1853","","","","","","0.996","","","","has coordinates,has disorder","286884","2023-10-10","22:57:54",""
"7714183","9.249","0.0002","13.2961","0.0002","13.4912","0.0003","90","","108.514","0.002","90","","1573.22","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Au N2 Te -","- C15 H13 Au N2 Te -","- C60 H52 Au4 N8 Te4 -","4","1","","Ghinato, Simone; Giordana, Alessia; Diana, Eliano; Gomila, Rosa Maria; Priola, Emanuele; Frontera, Antonio","Synthesis, X-ray Characterization and DFT analysis of Dicyanidoaurate Telluronium salts: on the importance of charge assisted chalcogen bonds","Dalton Transactions","2023","","","","","10.1039/D3DT02787B","","x-ray","1.54184","CuKα","","0.0425","0.04","","","0.1075","0.1108","","","","","","1.069","","","","has coordinates","286937","2023-10-12","23:01:07",""
"7714184","9.4991","0.0002","13.278","0.0002","13.3396","0.0003","90","","109.608","0.002","90","","1584.94","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Au F N2 Te -","- C15 H12 Au F N2 Te -","- C60 H48 Au4 F4 N8 Te4 -","4","1","","Ghinato, Simone; Giordana, Alessia; Diana, Eliano; Gomila, Rosa Maria; Priola, Emanuele; Frontera, Antonio","Synthesis, X-ray Characterization and DFT analysis of Dicyanidoaurate Telluronium salts: on the importance of charge assisted chalcogen bonds","Dalton Transactions","2023","","","","","10.1039/D3DT02787B","","x-ray","1.54184","CuKα","","0.0555","0.0538","","","0.1416","0.1452","","","","","","1.082","","","","has coordinates,has disorder","286937","2023-10-12","23:01:08",""
"7714185","12.1777","0.0002","14.2641","0.0002","16.3093","0.0002","90","","108.715","0.002","90","","2683.2","0.07","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H3 Co6 O17 P -","- C19 H3 Co6 O17 P -","- C76 H12 Co24 O68 P4 -","4","1","","Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred","Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals","Dalton Transactions","2023","","","","","10.1039/D3DT02472E","","","0.71073","MoKα","","0.0405","0.0251","","","0.0514","0.0531","","","","","","0.906","","","","has coordinates","286938","2023-10-12","23:02:13",""
"7714186","8.7479","0.0004","8.7479","0.0004","54.779","0.003","90","","90","","120","","3630.4","0.3","123","1","123","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H9 Fe4 O13 P -","- C18 H9 Fe4 O13 P -","- C108 H54 Fe24 O78 P6 -","6","0.333333","","Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred","Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals","Dalton Transactions","2023","","","","","10.1039/D3DT02472E","","","1.54184","CuKα","","0.0421","0.0413","","","0.1078","0.1086","","","","","","1.032","","","","has coordinates","286938","2023-10-12","23:02:13",""
"7714187","8.6531","0.0004","11.1862","0.0005","17.1189","0.0008","88.761","0.004","79.668","0.004","68.32","0.004","1513.04","0.13","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H7 Co6 O17 P -","- C21 H7 Co6 O17 P -","- C42 H14 Co12 O34 P2 -","2","1","","Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred","Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals","Dalton Transactions","2023","","","","","10.1039/D3DT02472E","","","1.54184","CuKα","","0.0536","0.0432","","","0.1049","0.1074","","","","","","0.933","","","","has coordinates","286938","2023-10-12","23:02:14",""
"7714188","8.6816","0.0006","11.1058","0.0006","17.5276","0.0011","81.547","0.005","83.899","0.005","68.045","0.006","1547.93","0.18","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H9 Co6 O17 P -","- C22 H9 Co6 O17 P -","- C44 H18 Co12 O34 P2 -","2","1","","Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred","Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals","Dalton Transactions","2023","","","","","10.1039/D3DT02472E","","","1.54184","CuKα","","0.0686","0.051","","","0.124","0.1298","","","","","","0.927","","","","has coordinates","286938","2023-10-12","23:02:14",""
"7714189","9.5843","0.0001","10.5374","0.0002","15.399","0.0002","90","","91.246","0.001","90","","1554.83","0.04","250","0.1","250","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 F6 I N O7 S -","- C9 H4 F6 I N O7 S -","- C36 H16 F24 I4 N4 O28 S4 -","4","1","","Sharp-Bucknall, Lachlan; _, Tania; Sceney, Marcus; Barwise, Lachlan; Dutton, Jason Laurence","Electrophilic Activation of Molecular Bromine Mediated by I(III)","Dalton Transactions","2023","","","","","10.1039/D3DT02999A","","x-ray","1.54184","CuKα","","0.0475","0.0449","","","0.1251","0.1275","","","","","","1.096","","","","has coordinates,has disorder","286939","2023-10-12","23:02:50",""
"7714190","8.561","0.0003","10.6504","0.0003","18.6062","0.0005","86.733","0.001","77.777","0.001","73.705","0.001","1591.41","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Co N4 O11 -","- C34 H34 Co N4 O11 -","- C68 H68 Co2 N8 O22 -","2","1","","Wu, Dongqing; Kumari, Kusum; Wan, Yi; Gao, Xueling; Guo, Mengxi; Liu, Genyan; Shao, Dong; Zhai, Bin; Singh, Saurabh Kumar","Binuclear cobalt(II) and two-dimensional manganese(II) coordination compounds self-assembled by mixed bipyridine-tetracarboxylic ligands with single-ion magnet properties","Dalton Transactions","2023","","","","","10.1039/D3DT03016D","","","0.71073","MoKα","","0.0662","0.0396","","","0.083","0.0935","","","","","","1.032","","","","has coordinates","286940","2023-10-12","23:03:24",""
"7714191","13.184","0.0009","9.3574","0.0008","13.4896","0.0011","90","","95.953","0.003","90","","1655.2","0.2","274","","274","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Mn N2 O5 -","- C17 H15 Mn N2 O5 -","- C68 H60 Mn4 N8 O20 -","4","1","","Wu, Dongqing; Kumari, Kusum; Wan, Yi; Gao, Xueling; Guo, Mengxi; Liu, Genyan; Shao, Dong; Zhai, Bin; Singh, Saurabh Kumar","Binuclear cobalt(II) and two-dimensional manganese(II) coordination compounds self-assembled by mixed bipyridine-tetracarboxylic ligands with single-ion magnet properties","Dalton Transactions","2023","","","","","10.1039/D3DT03016D","","","0.71073","MoKα","","0.0438","0.0319","","","0.0799","0.086","","","","","","1.033","","","","has coordinates","286940","2023-10-12","23:03:25",""
"7714192","9.2299","0.0003","23.8454","0.0014","17.9871","0.0007","90","","93.269","0.003","90","","3952.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 Cl5 N2 O2 Ru2 -","- C39 H41 Cl5 N2 O2 Ru2 -","- C156 H164 Cl20 N8 O8 Ru8 -","4","1","","Arunachalam, Abirami; Umapathy, Devan; Rengan, Ramesh; Arockiam, Antony Joeph Velanganni; Małecki, Jan Grzegorz","Naphthoyl Benzhydrazine - Decorated Binuclear Arene Ru(II) Complexes as Anticancer Agents Targeting Human Breast Cancer Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02552G","","x-ray","0.71073","MoKα","","0.1066","0.0611","","","0.1208","0.1433","","","","","","1.06","","","","has coordinates,has disorder","286941","2023-10-12","23:04:14",""
"7714193","10.156","0.0007","12.8167","0.0007","11.2086","0.0006","90","","110.167","0.007","90","","1369.54","0.15","293","2","","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H24 Cl2 N2 O2 Ru2 -","- C30 H24 Cl2 N2 O2 Ru2 -","- C60 H48 Cl4 N4 O4 Ru4 -","2","1","","Arunachalam, Abirami; Umapathy, Devan; Rengan, Ramesh; Arockiam, Antony Joeph Velanganni; Małecki, Jan Grzegorz","Naphthoyl Benzhydrazine - Decorated Binuclear Arene Ru(II) Complexes as Anticancer Agents Targeting Human Breast Cancer Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02552G","","","0.71073","MoKα","","0.0619","0.0379","","","0.0689","0.0839","","","","","","1.1136","","","","has coordinates","286941","2023-10-12","23:04:14",""
"7714194","7.3149","0.00013","22.3592","0.0003","7.59111","0.00014","90","","111.942","0.002","90","","1151.63","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 O8 Pb2 S -","- C8 H4 O8 Pb2 S -","- C32 H16 O32 Pb8 S4 -","4","1","","Liu, Jiawei; Ding, Li; Zou, Huiqi; Huan, zhipeng; Liu, Hou-Ting; Lu, Jing; Wang, Suna; Li, Yun-Wu","A simple MOF constructed by Pb(II) with strong polarizing force: a filler of Nafion membrane to increase proton conductivity","Dalton Transactions","2023","","","","","10.1039/D3DT02911E","","","1.54184","CuKα","","0.0485","0.0467","","","0.1189","0.1204","","","","","","1.113","","","","has coordinates","286942","2023-10-12","23:04:44",""
"7714195","17.2597","0.0004","10.7727","0.0002","18.5283","0.0005","90","","113.564","0.002","90","","3157.77","0.14","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 B Br Cl2 N3 P -","- C24 H50 B Br Cl2 N3 P -","- C96 H200 B4 Br4 Cl8 N12 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT03090C","","","0.71073","MoKα","","0.0686","0.0563","","","0.1292","0.1387","","","","","","1.121","","","","has coordinates,has disorder","286943","2023-10-12","23:05:48",""
"7714196","11.9513","0.0011","9.9691","0.0009","17.3494","0.0015","90","","92.402","0.007","90","","2065.3","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Au B Br Cl N P -","- C14 H32 Au B Br Cl N P -","- C56 H128 Au4 B4 Br4 Cl4 N4 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT03090C","","","0.71073","MoKα","","0.0618","0.0574","","","0.1472","0.15","","","","","","1.083","","","","has coordinates","286943","2023-10-12","23:05:48",""
"7714197","12.3679","0.0009","12.3039","0.0008","14.0443","0.0011","90","","105.345","0.006","90","","2061","0.3","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B Br N P -","- C20 H28 B Br N P -","- C80 H112 B4 Br4 N4 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT03090C","","","0.71073","MoKα","","0.0572","0.0372","","","0.0847","0.0917","","","","","","1.002","","","","has coordinates","286943","2023-10-12","23:05:49",""
"7714198","24.839","0.0011","23.5598","0.0008","26.1742","0.0012","90","","91.128","0.004","90","","15314.2","1.1","120","","120","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C109 H152 Al2 Au2 B4 Br4 F72 N4 O8 P4 -","- C109 H152 Al2 Au2 B4 Br4 F72 N4 O8 P4 -","- C436 H608 Al8 Au8 B16 Br16 F288 N16 O32 P16 -","4","1","","Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT03090C","","","0.71073","MoKα","","0.091","0.0636","","","0.1232","0.138","","","","","","1.173","","","","has coordinates,has disorder","286943","2023-10-12","23:05:49",""
"7714199","17.5207","0.0009","7.0485","0.0003","16.1179","0.0008","90","","110.63","0.006","90","","1862.84","0.17","123","2","123.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Mono-t-butylgallium 8-hydroxyquinolinolate","","- C22 H21 Ga N2 O2 -","- C22 H21 Ga N2 O2 -","- C88 H84 Ga4 N8 O8 -","4","0.5","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","","0.71073","MoKα","","0.0317","0.0264","","","0.0672","0.0685","","","","","","1.061","","","","has coordinates,has disorder","286945","2023-10-12","23:07:26",""
"7714200","9.7308","0.0005","9.851","0.0005","10.3262","0.0005","115.941","0.005","112.503","0.005","92.111","0.004","797.1","0.09","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","Di-n-butylgallium 8-hydroxyquinolinolate","","- C17 H24 Ga N O -","- C17 H24 Ga N O -","- C34 H48 Ga2 N2 O2 -","2","1","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","","0.71073","MoKα","","0.0371","0.0336","","","0.0687","0.0702","","","","","","1.123","","","","has coordinates,has disorder","286945","2023-10-12","23:07:26",""
"7714201","15.938","0.0003","16.7591","0.0002","25.872","0.0003","90","","90","","90","","6910.58","0.17","123","2","123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-t-butylgallium 8-hydroxyquinolinolate","","- C17 H24 Ga N O -","- C17 H24 Ga N O -","- C272 H384 Ga16 N16 O16 -","16","2","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","","1.54184","CuKα","","0.0657","0.0523","","","0.1347","0.1448","","","","","","1.032","","","","has coordinates,has disorder","286945","2023-10-12","23:07:26",""
"7714202","10.9604","0.0005","11.6541","0.0005","11.3776","0.0005","90","","101.958","0.004","90","","1421.76","0.11","123","0.1","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diisopropylgallium 8-hydroxyquinolinolate","","- C3 H4 Ga0.2 N0.2 O0.2 -","- C3 H4 Ga0.2 N0.2 O0.2 -","- C60 H80 Ga4 N4 O4 -","20","5","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","x-ray","0.71073","MoKα","","0.0451","0.0309","","","0.0783","0.0818","","","","","","1.083","","","","has coordinates","286945","2023-10-12","23:07:27",""
"7714203","9.93","0.0004","10.5992","0.0004","12.2053","0.0003","91.428","0.002","103.785","0.003","101.757","0.003","1217.78","0.08","123","0.1","123.15","","","","","","","","","5","P -1","-P 1","2","","Diethylgallium 8-hydroxyquinolinolate","","- C26 H32 Ga2 N2 O2 -","- C26 H32 Ga2 N2 O2 -","- C52 H64 Ga4 N4 O4 -","2","1","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","x-ray","1.54184","CuKα","","0.0586","0.052","","","0.1412","0.1467","","","","","","1.063","","","","has coordinates","286945","2023-10-12","23:07:27",""
"7714204","14.7681","0.0007","9.5219","0.0004","15.2319","0.0008","90","","109.766","0.006","90","","2015.72","0.18","122.99","0.11","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dihexylgallium 8-hydroxyquinolinolate","","- C21 H32 Ga N O -","- C21 H32 Ga N O -","- C84 H128 Ga4 N4 O4 -","4","1","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","x-ray","0.71073","MoKα","","0.0613","0.0474","","","0.1203","0.1291","","","","","","1.045","","","","has coordinates","286945","2023-10-12","23:07:27",""
"7714205","10.0855","0.0006","18.6517","0.001","7.944","0.0004","90","","90","","90","","1494.36","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H22 Co F6 N4 O2 P -","- C8 H22 Co F6 N4 O2 P -","- C32 H88 Co4 F24 N16 O8 P4 -","4","0.5","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0394","0.035","","","0.094","0.0973","","","","","","1.059","","","","has coordinates","286946","2023-10-12","23:09:52",""
"7714206","14.0248","0.0003","9.5014","0.0002","11.3201","0.0002","90","","102.667","0.002","90","","1471.75","0.05","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H23 Co I2 N4 O2 -","- C8 H23 Co I2 N4 O2 -","- C32 H92 Co4 I8 N16 O8 -","4","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","0.71073","MoKα","","0.0253","0.0196","","","0.0433","0.0467","","","","","","1.08","","","","has coordinates","286946","2023-10-12","23:09:52",""
"7714207","10.2797","0.0002","19.2548","0.0004","12.9988","0.0003","90","","109.284","0.002","90","","2428.54","0.09","120","0.1","120.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl3 Co F6 N4 O7 S2 -","- C10 H24 Cl3 Co F6 N4 O7 S2 -","- C40 H96 Cl12 Co4 F24 N16 O28 S8 -","4","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0409","0.0336","","","0.0811","0.0862","","","","","","1.018","","","","has coordinates","286946","2023-10-12","23:09:52",""
"7714208","8.0188","0.0006","9.4646","0.0006","13.1434","0.0008","76.033","0.005","79.66","0.005","74.106","0.006","924.12","0.11","202","110","202","110","","","","","","","","7","P -1","-P 1","2","","","","- C8 H22 Cl5 Co N4 O2 Zn2 -","- C8 H22 Cl5 Co N4 O2 Zn2 -","- C16 H44 Cl10 Co2 N8 O4 Zn4 -","2","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0782","0.0765","","","0.2485","0.2492","","","","","","1.198","","","","has coordinates","286946","2023-10-12","23:09:52",""
"7714209","9.7046","0.0005","10.3901","0.0005","10.4141","0.0006","62.18","0.005","63.266","0.005","88.467","0.004","806.81","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H26 Cl3 Co N4 O3 -","- C8 H26 Cl3 Co N4 O3 -","- C16 H52 Cl6 Co2 N8 O6 -","2","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0394","0.0365","","","0.1009","0.1034","","","","","","1.091","","","","has coordinates","286946","2023-10-12","23:09:52",""
"7714210","25.8579","0.0007","11.1659","0.0003","13.2095","0.0003","90","","90","","90","","3813.94","0.17","120","0.1","120","0.1","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C8 H22 Cl4 Co N4 O3 Zn2 -","- C8 H22 Cl4 Co N4 O3 Zn2 -","- C64 H176 Cl32 Co8 N32 O24 Zn16 -","8","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0344","0.0341","","","0.0883","0.0886","","","","","","1.048","","","","has coordinates","286946","2023-10-12","23:09:53",""
"7714211","15.5162","0.0003","10.8096","0.0002","16.194","0.0003","90","","111.555","0.002","90","","2526.17","0.09","120","0.1","120.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 Cl3 Co F6 N5 O6 S2 -","- C12 H25 Cl3 Co F6 N5 O6 S2 -","- C48 H100 Cl12 Co4 F24 N20 O24 S8 -","4","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0512","0.0487","","","0.1302","0.1329","","","","","","1.041","","","","has coordinates","286946","2023-10-12","23:09:53",""
"7714212","13.5798","0.0013","14.7189","0.0012","15.391","0.0013","77.76","0.007","78.576","0.007","83.603","0.007","2939.1","0.5","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Cl3 Co N6 O4 -","- C8 H22 Cl3 Co N6 O4 -","- C48 H132 Cl18 Co6 N36 O24 -","6","3","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.1228","0.0803","","","0.2503","0.3191","","","","","","0.905","","","","has coordinates,has disorder","286946","2023-10-12","23:09:53",""
"7714213","11.521","0.0007","10.6094","0.0006","12.7807","0.0008","90","","98.647","0.006","90","","1544.44","0.16","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl3 Co N4 O2 -","- C8 H24 Cl3 Co N4 O2 -","- C32 H96 Cl12 Co4 N16 O8 -","4","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.06","0.0426","","","0.0975","0.1081","","","","","","1.022","","","","has coordinates","286946","2023-10-12","23:09:53",""
"7714214","19.2961","0.0003","8.0694","0.0001","27.6193","0.0005","90","","90","","90","","4300.54","0.12","120.01","0.1","120.01","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H34 Cl5 Co N4 O2 -","- C12 H34 Cl5 Co N4 O2 -","- C96 H272 Cl40 Co8 N32 O16 -","8","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","0.71073","MoKα","","0.0414","0.0327","","","0.0728","0.0793","","","","","","1.166","","","","has coordinates","286946","2023-10-12","23:09:53",""
"7714215","8.0918","0.0001","12.2476","0.0002","7.0155","0.0001","90","","90","","90","","695.272","0.017","160","1","160","1","","","","","","","","6","I m m m","-I 2 2","71","","","","- C12 H13 F6 N P Re -","- C12 H13.002 F6 N P Re -","- C24 H26.004 F12 N2 P2 Re2 -","2","0.125","","Battistin, Federica; Fernandes, Célia; Raposinho, Paula D.; Blacque, Olivier; Paulo, António Rocha; Alberto, Roger","In vivo and in vitro studies of [M(η6-pseudoerlotinib)2]+ sandwich complexes (M = Re, 99mTc)","Dalton Transactions","2023","","","","","10.1039/D3DT03011C","","x-ray","1.54184","CuKα","","0.0162","0.0162","","","0.0396","0.0396","","","","","","1.172","","","","has coordinates,has disorder","286947","2023-10-12","23:11:29",""
"7714216","11.0615","0.0001","13.8305","0.0003","16.0904","0.0003","73.359","0.002","71.753","0.001","75.769","0.001","2206.68","0.07","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H52 Cl2 F6 N6 O10 P Re -","- C40 H52 Cl2 F6 N6 O10 P Re -","- C80 H104 Cl4 F12 N12 O20 P2 Re2 -","2","1","","Battistin, Federica; Fernandes, Célia; Raposinho, Paula D.; Blacque, Olivier; Paulo, António Rocha; Alberto, Roger","In vivo and in vitro studies of [M(η6-pseudoerlotinib)2]+ sandwich complexes (M = Re, 99mTc)","Dalton Transactions","2023","","","","","10.1039/D3DT03011C","","x-ray","1.54184","CuKα","","0.0292","0.0287","","","0.0689","0.0691","","","","","","1.13","","","","has coordinates,has disorder","286947","2023-10-12","23:11:29",""
"7714217","11.04098","0.00007","14.03029","0.00009","19.5439","0.00014","77.566","0.0006","84.5485","0.0006","83.5136","0.0005","2929.77","0.03","160","0.1","160","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C104.67 H120.4 Cl1.33 F24 N12 O17.53 P4 Re4 -","- C104.667 H120.397 Cl1.3332 F24 N12 O17.532 P4 Re4 -","- C104.667 H120.397 Cl1.3332 F24 N12 O17.532 P4 Re4 -","1","0.5","","Battistin, Federica; Fernandes, Célia; Raposinho, Paula D.; Blacque, Olivier; Paulo, António Rocha; Alberto, Roger","In vivo and in vitro studies of [M(η6-pseudoerlotinib)2]+ sandwich complexes (M = Re, 99mTc)","Dalton Transactions","2023","","","","","10.1039/D3DT03011C","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0755","0.0764","","","","","","1.05","","","","has coordinates,has disorder","286947","2023-10-12","23:11:29",""
"7714218","9.6549","0.0007","10.477","0.0008","10.7029","0.0008","98.353","0.002","113.11","0.001","96.38","0.002","968.24","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Cd N3 O7 -","- C20 H15 Cd N3 O7 -","- C40 H30 Cd2 N6 O14 -","2","1","","Li, Gao-Peng; Zhang, Jing; Ren, Wan-Wan; Wang, Si-Nan; Wang, Ying-Xia; Fu, Yunlong; Wang, Yao-Yu","Electron density effect of aromatic carboxylic acids in naphthalenediimide-based coordination polymers: from thermal electron transfer and charge transfer to photoinduced electron transfer","Dalton Transactions","2023","","","","","10.1039/D3DT03069E","","","0.71073","MoKα","","0.0246","0.0231","","","0.0605","0.0611","","","","","","1.051","","","","has coordinates","286948","2023-10-12","23:12:12",""
"7714219","9.7966","0.0006","10.2903","0.0007","10.4954","0.0007","96.946","0.002","96.619","0.001","111.565","0.001","962.03","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Cd N3 O8 -","- C20 H15 Cd N3 O8 -","- C40 H30 Cd2 N6 O16 -","2","1","","Li, Gao-Peng; Zhang, Jing; Ren, Wan-Wan; Wang, Si-Nan; Wang, Ying-Xia; Fu, Yunlong; Wang, Yao-Yu","Electron density effect of aromatic carboxylic acids in naphthalenediimide-based coordination polymers: from thermal electron transfer and charge transfer to photoinduced electron transfer","Dalton Transactions","2023","","","","","10.1039/D3DT03069E","","","0.71073","MoKα","","0.0257","0.0236","","","0.0593","0.0601","","","","","","1.151","","","","has coordinates","286948","2023-10-12","23:12:13",""
"7714220","11.6082","0.0009","12.6678","0.0014","14.4672","0.0011","96.31","0.008","109.918","0.007","94.522","0.008","1972.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 O4 P2 -","- C43 H36 Cl Cu N4 O4 P2 -","- C86 H72 Cl2 Cu2 N8 O8 P4 -","2","1","","Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing","Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02242K","","","0.71073","MoKα","","0.1029","0.0759","","","0.1716","0.1934","","","","","","1.051","","","","has coordinates","286965","2023-10-13","22:55:05",""
"7714221","11.1772","0.0005","12.5873","0.0006","15.9561","0.0009","83.654","0.004","71.934","0.005","86.1","0.004","2119.77","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H39 Cl Cu N5 O4 P2 -","- C48 H39 Cl Cu N5 O4 P2 -","- C96 H78 Cl2 Cu2 N10 O8 P4 -","2","1","","Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing","Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02242K","","x-ray","0.71073","MoKα","","0.0549","0.0418","","","0.0879","0.0959","","","","","","1.038","","","","has coordinates","286965","2023-10-13","22:55:06",""
"7714222","11.5602","0.001","12.531","0.0011","16.7292","0.0015","73.984","0.008","76.055","0.007","68.717","0.008","2143.5","0.4","293.87","0.1","293.87","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H39 Cl Cu N5 O4 P2 -","- C48 H39 Cl Cu N5 O4 P2 -","- C96 H78 Cl2 Cu2 N10 O8 P4 -","2","1","","Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing","Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02242K","","x-ray","0.71073","MoKα","","0.0622","0.0496","","","0.1226","0.1315","","","","","","1.084","","","","has coordinates,has disorder","286965","2023-10-13","22:55:06",""
"7714223","12.809","0.003","13.334","0.003","13.599","0.003","111.45","0.03","91.19","0.03","113.6","0.03","1942.5","1.1","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C84 H70 Cl2 Cu2 N5 O8 P4 -","- C84 H70 Cl2 Cu2 N5 O8 P4 -","- C84 H70 Cl2 Cu2 N5 O8 P4 -","1","1","","Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing","Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02242K","","","0.71073","MoKα","","0.1486","0.0845","","","0.2309","0.2804","","","","","","1.035","","","","has coordinates","286965","2023-10-13","22:55:06",""
"7714224","11.535","0.003","25.303","0.006","14.45","0.003","90","","98.253","0.005","90","","4173.8","1.7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Cl Cu N4 O5 P2 -","- C43 H34 Cl Cu N4 O5 P2 -","- C172 H136 Cl4 Cu4 N16 O20 P8 -","4","1","","Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing","Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02242K","","","0.71073","MoKα","","0.0783","0.0635","","","0.1914","0.2044","","","","","","1.042","","","","has coordinates,has disorder","286965","2023-10-13","22:55:06",""
"7714225","11.9805","0.0009","16.4269","0.0012","7.8664","0.0004","90","","102.06","0.003","90","","1513.96","0.18","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[C7H16N]PbI3","","- C7 H16 I3 N Pb -","- C7 H16 I3 N Pb -","- C28 H64 I12 N4 Pb4 -","4","1","","Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu","The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02924G","","","0.71073","MoKα","","0.1104","0.0529","","","0.108","0.1484","","","","","","1.062","","","","has coordinates","286966","2023-10-13","22:56:16",""
"7714226","15.8846","0.0008","7.6949","0.0003","22.225","0.001","90","","90","","90","","2716.6","0.2","232.99","0.1","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","C7H16PbBr3","","- C7 H16 Br3 N Pb -","- C7 H16 Br3 N Pb -","- C56 H128 Br24 N8 Pb8 -","8","1","","Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu","The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02924G","","","0.71073","MoKα","","0.0888","0.0498","","","0.102","0.1148","","","","","","1.076","","","","has coordinates","286966","2023-10-13","22:56:16",""
"7714227","11.554","0.003","17.566","0.004","7.9189","0.0016","90","","101.329","0.005","90","","1575.9","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[C7H16N]PbI3-298K","","- C7 I3 N Pb -","- C7 I3 N Pb -","- C28 I12 N4 Pb4 -","4","1","","Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu","The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02924G","","","0.71073","MoKα","","0.1205","0.0482","","","0.1003","0.1372","","","","","","1.042","","","","has coordinates,has disorder","286966","2023-10-13","22:56:17",""
"7714228","17.0361","0.0008","7.6699","0.0003","21.3038","0.0012","90","","90","","90","","2783.7","0.2","298.23","0.1","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[C7H16N]PbBr2-233K","","- C7 Br3 N Pb -","- C7 Br3 N Pb -","- C56 Br24 N8 Pb8 -","8","1","","Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu","The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02924G","","x-ray","0.71073","MoKα","","0.1511","0.0805","","","0.1858","0.224","","","","","","1.068","","","","has coordinates,has disorder","286966","2023-10-13","22:56:17",""
"7714229","23.246","0.0012","13.2054","0.0007","19.6226","0.001","90","","101.358","0.002","90","","5905.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H44 Cl6 Fe2 N6 O9 -","- C65 H44 Cl6 Fe2 N6 O9 -","- C260 H176 Cl24 Fe8 N24 O36 -","4","1","","Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.","Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell","Dalton Transactions","2023","","","","","10.1039/D3DT02975A","","","0.71073","MoKα","","0.099","0.0797","","","0.1928","0.2043","","","","","","1.08","","","","has coordinates,has disorder","286967","2023-10-13","22:57:10",""
"7714230","16.38","0.02","29.87","0.04","6.843","0.009","90","","90","","90","","3348","7","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C168 H128 N16 O24 -","8","1","","Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.","Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell","Dalton Transactions","2023","","","","","10.1039/D3DT02975A","","","0.71073","MoKα","","0.1336","0.0973","","","0.1617","0.1759","","","","","","1.133","","","","has coordinates","286967","2023-10-13","22:57:11",""
"7714231","17.1743","0.0003","13.7314","0.0002","18.0806","0.0003","90","","114.029","0.002","90","","3894.39","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 Mo2 N2 O7 -","- C32 H72 Mo2 N2 O7 -","- C128 H288 Mo8 N8 O28 -","4","0.5","","Ma, Howard Z.; Canty, Allan J.; O'Hair, Richard A J","Liberation of carbon monoxide from formic acid mediated by molybdenum oxyanions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01983g","","x-ray","0.71073","MoKα","","0.0388","0.0295","","","0.0673","0.0702","","","","","","1.061","","","","has coordinates","286993","2023-10-16","22:55:58",""
"7714232","9.1911","0.0017","9.8765","0.0019","13.755","0.003","81.801","0.007","74.954","0.006","79.844","0.006","1180.7","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 F6 N4 S -","- C27 H16 F6 N4 S -","- C54 H32 F12 N8 S2 -","2","1","","Benny, Renitta; De, Soumen","Interplay between anti-anti and syn-anti conformation of thiourea modulating ON-OFF catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT02398B","","","0.71073","MoKα","","0.0658","0.0405","","","0.1007","0.1104","","","","","","1.068","","","","has coordinates,has disorder","287008","2023-10-17","22:53:54",""
"7714233","8.3638","0.0013","28.079","0.004","8.3943","0.0013","90","","103.956","0.005","90","","1913.2","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F6 N2 S -","- C19 H18 F6 N2 S -","- C76 H72 F24 N8 S4 -","4","1","","Benny, Renitta; De, Soumen","Interplay between anti-anti and syn-anti conformation of thiourea modulating ON-OFF catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT02398B","","","0.71073","MoKα","","0.0584","0.044","","","0.0873","0.0949","","","","","","1.118","","","","has coordinates,has disorder","287008","2023-10-17","22:53:55",""
"7714234","12.904","0.003","14.672","0.003","14.907","0.003","80.438","0.008","84.213","0.008","66.335","0.007","2547.2","1","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H44 Cl Cu F12 N6 S -","- C57 H44 Cl Cu F12 N6 S -","- C114 H88 Cl2 Cu2 F24 N12 S2 -","2","1","","Benny, Renitta; De, Soumen","Interplay between anti-anti and syn-anti conformation of thiourea modulating ON-OFF catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT02398B","","","0.71073","MoKα","","0.2389","0.0842","","","0.1789","0.2602","","","","","","1.03","","","","has coordinates,has disorder","287008","2023-10-17","22:53:55",""
"7714235","9.968","0.002","7.907","0.0016","21.463","0.004","90","","101.99","0.03","90","","1654.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cu N4 O6 -","- C15 H18 Cu N4 O6 -","- C60 H72 Cu4 N16 O24 -","4","1","","Kwon, Hee Chang; Lee, Da Hyun; Yoon, Minyoung; Nayab, Saira; Lee, Hyosun; Han, Ji Hoon","Novel Cu(II) Complexes as DNA-destabilizing Agents and Their DNA Nuclease Activity","Dalton Transactions","2023","","","","","10.1039/D3DT02615A","","","0.61","synchrotron","","0.0586","0.0476","","","0.1382","0.1433","","","","","","1.15","","","","has coordinates","287009","2023-10-17","22:54:46",""
"7714236","7.187","0.0014","8.269","0.0016","14.574","0.003","74.02","0.03","89.47","0.03","69.01","0.03","773.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N4 O7 -","- C14 H16 Cu N4 O7 -","- C28 H32 Cu2 N8 O14 -","2","1","","Kwon, Hee Chang; Lee, Da Hyun; Yoon, Minyoung; Nayab, Saira; Lee, Hyosun; Han, Ji Hoon","Novel Cu(II) Complexes as DNA-destabilizing Agents and Their DNA Nuclease Activity","Dalton Transactions","2023","","","","","10.1039/D3DT02615A","","","0.61","synchrotron","","0.0426","0.0405","","","0.1205","0.1218","","","","","","1.136","","","","has coordinates","287009","2023-10-17","22:54:47",""
"7714237","10.682","0.002","7.13","0.0014","16.493","0.003","90","","100.03","0.03","90","","1237","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 Cu2 N4 -","- C22 H32 Cl4 Cu2 N4 -","- C44 H64 Cl8 Cu4 N8 -","2","0.5","","Kwon, Hee Chang; Lee, Da Hyun; Yoon, Minyoung; Nayab, Saira; Lee, Hyosun; Han, Ji Hoon","Novel Cu(II) Complexes as DNA-destabilizing Agents and Their DNA Nuclease Activity","Dalton Transactions","2023","","","","","10.1039/D3DT02615A","","","0.63","synchrotron","","0.0576","0.0415","","","0.0975","0.1016","","","","","","0.967","","","","has coordinates","287009","2023-10-17","22:54:47",""
"7714238","10.956","0.0006","11.1745","0.0006","15.9449","0.0011","69.527","0.001","73.091","0.001","63.674","0.001","1617.57","0.17","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Mo8 N4 O34 -","- C52 H44 Mo8 N4 O34 -","- C52 H44 Mo8 N4 O34 -","1","0.5","","Yu, Shuang; Liu, Tao; Ying, Jun; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","A Series of Isopolymolybdate-viologen Hybrids with Photo-, Thermo- and Electro-chromic Properties","Dalton Transactions","2023","","","","","10.1039/D3DT02928J","","","0.71073","MoKα","","0.0508","0.0332","","","0.0667","0.0734","","","","","","1.029","","","","has coordinates","287010","2023-10-17","22:55:58",""
"7714239","12.7429","0.0004","20.7101","0.0006","12.6924","0.0007","90","","99.144","0.001","90","","3307","0.2","296.15","","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H54 Co Mo8 N4 O40 -","- C52 H48 Co Mo8 N4 O38 -","- C104 H96 Co2 Mo16 N8 O76 -","2","0.25","","Yu, Shuang; Liu, Tao; Ying, Jun; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","A Series of Isopolymolybdate-viologen Hybrids with Photo-, Thermo- and Electro-chromic Properties","Dalton Transactions","2023","","","","","10.1039/D3DT02928J","","","0.71073","MoKα","","0.0387","0.0292","","","0.062","0.069","","","","","","1.177","","","","has coordinates","287010","2023-10-17","22:55:58",""
"7714240","13.6738","0.0004","11.8186","0.0003","19.9517","0.0006","90","","102.293","0.001","90","","3150.37","0.15","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Mo8 N4 O36 -","- C52 H48 Mo8 N4 O36 -","- C104 H96 Mo16 N8 O72 -","2","0.5","","Yu, Shuang; Liu, Tao; Ying, Jun; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","A Series of Isopolymolybdate-viologen Hybrids with Photo-, Thermo- and Electro-chromic Properties","Dalton Transactions","2023","","","","","10.1039/D3DT02928J","","","0.71073","MoKα","","0.0575","0.043","","","0.0984","0.1094","","","","","","1.074","","","","has coordinates","287010","2023-10-17","22:55:58",""
"7714241","15.3467","0.0003","16.5545","0.0003","21.5569","0.0004","96.175","0.001","101.521","0.001","110.172","0.001","4943.62","0.17","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H69 Cu Mo16 N9 O58 -","- C56 H49 Cu Mo16 N8 O53 -","- C112 H98 Cu2 Mo32 N16 O106 -","2","1","","Yu, Shuang; Liu, Tao; Ying, Jun; Tian, Aixiang; Yang, Mengle; Wang, Xiuli","A Series of Isopolymolybdate-viologen Hybrids with Photo-, Thermo- and Electro-chromic Properties","Dalton Transactions","2023","","","","","10.1039/D3DT02928J","","","0.71073","MoKα","","0.0764","0.0497","","","0.1157","0.1315","","","","","","1.031","","","","has coordinates,has disorder","287010","2023-10-17","22:55:58",""
"7714242","24.9696","0.0016","37.384","0.003","18.0414","0.0011","90","","133.598","0.002","90","","12196.2","1.5","297","","297","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C68 H68 B2 Co N6 -","- C68 H68 B2 Co N6 -","- C544 H544 B16 Co8 N48 -","8","2","","C S, Akshaya Keerthi; Das, Sandip; kulbir, Kulbir; Bhardwaj, Prabhakar; Sk, Md Palashuddin; Kumar, Pankaj","Mechanistic Insights of Nitric Oxide Oxygenation (NOO) Reactions of {CrNO}5 & {CoNO}8","Dalton Transactions","2023","","","","","10.1039/D3DT03177B","","","0.71073","MoKα","","0.0588","0.0486","","","0.1328","0.1424","","","","","","1.038","","","","has coordinates","287011","2023-10-17","22:56:53",""
"7714243","13.35","0.003","8.745","0.002","15.324","0.004","90","","90","","90","","1789","0.7","101","2","101","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 Co N6 O4 -","- C16 H22 Co N6 O4 -","- C64 H88 Co4 N24 O16 -","4","0.5","","C S, Akshaya Keerthi; Das, Sandip; kulbir, Kulbir; Bhardwaj, Prabhakar; Sk, Md Palashuddin; Kumar, Pankaj","Mechanistic Insights of Nitric Oxide Oxygenation (NOO) Reactions of {CrNO}5 & {CoNO}8","Dalton Transactions","2023","","","","","10.1039/D3DT03177B","","","0.71073","MoKα","","0.1046","0.097","","","0.2668","0.2736","","","","","","1.123","","","","has coordinates","287011","2023-10-17","22:56:53",""
"7714244","19.691","0.007","15.587","0.007","20.196","0.009","90","","90","","90","","6199","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H90 Cl2 P2 Rh2 Si4 -","- C64 H90 Cl2 P2 Rh2 Si4 -","- C256 H360 Cl8 P8 Rh8 Si16 -","4","0.5","","Abeynayake, Niroshani S.; Le, Nghia; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Webster, Charles Edwin; Montiel-Palma, Virginia","Unexpected alkyl isomerization at the silicon ligand of an unsaturated Rh complex: combined experiment and theory","Dalton Transactions","2023","","","","","10.1039/D3DT02087H","","","0.71073","MoKα","","0.0426","0.0316","","","0.081","0.0894","","","","","","1.062","","","","has coordinates","287022","2023-10-18","22:55:07",""
"7714245","9.844","0.005","11.815","0.007","13.809","0.008","102.799","0.015","95","0.02","97.929","0.016","1539.6","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cl O P Rh Si2 -","- C32 H40 Cl O P Rh Si2 -","- C64 H80 Cl2 O2 P2 Rh2 Si4 -","2","1","","Abeynayake, Niroshani S.; Le, Nghia; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Webster, Charles Edwin; Montiel-Palma, Virginia","Unexpected alkyl isomerization at the silicon ligand of an unsaturated Rh complex: combined experiment and theory","Dalton Transactions","2023","","","","","10.1039/D3DT02087H","","","1.54178","CuKα","","0.0519","0.043","","","0.1067","0.1129","","","","","","1.027","","","","has coordinates,has disorder","287022","2023-10-18","22:55:07",""
"7714246","12.9492","0.0014","15.3029","0.0019","15.575","0.002","98.084","0.009","114.097","0.006","114.29","0.006","2384.9","0.6","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Cl2 N3 Sb -","- C56 H56 Cl2 N3 Sb -","- C112 H112 Cl4 N6 Sb2 -","2","1","","Lan, Xiaofang; Zhang, Xin; Mei, Yanbo; Hu, Chaopeng; Liu, Liu Leo","Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt","Dalton Transactions","2023","","","","","10.1039/D3DT03310D","","","1.54178","CuKα","","0.0239","0.0221","","","0.0508","0.0515","","","","","","1.035","","","","has coordinates,has disorder","287023","2023-10-18","22:56:20",""
"7714247","12.0383","0.0005","13.7852","0.0006","14.1852","0.0006","87.949","0.002","69.745","0.002","81.798","0.002","2185.64","0.16","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H58 Li N3 O -","- C53 H58 Li N3 O -","- C106 H116 Li2 N6 O2 -","2","1","","Lan, Xiaofang; Zhang, Xin; Mei, Yanbo; Hu, Chaopeng; Liu, Liu Leo","Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt","Dalton Transactions","2023","","","","","10.1039/D3DT03310D","","","1.54178","CuKα","","0.0573","0.0536","","","0.1352","0.1379","","","","","","0.973","","","","has coordinates","287023","2023-10-18","22:56:21",""
"7714248","13.6632","0.0006","18.3235","0.0008","15.742","0.0006","90","","104.596","0.002","90","","3813.9","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 N3 -","- C49 H49 N3 -","- C196 H196 N12 -","4","1","","Lan, Xiaofang; Zhang, Xin; Mei, Yanbo; Hu, Chaopeng; Liu, Liu Leo","Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt","Dalton Transactions","2023","","","","","10.1039/D3DT03310D","","","1.54178","CuKα","","0.0436","0.039","","","0.0971","0.1","","","","","","1.083","","","","has coordinates,has disorder","287023","2023-10-18","22:56:21",""
"7714249","12.0357","0.0008","15.0197","0.0011","24.7036","0.0017","91.171","0.005","101.962","0.004","112.763","0.004","4003.3","0.5","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H72 B Cl F24 N3 Sb -","- C86 H72 B Cl F24 N3 Sb -","- C172 H144 B2 Cl2 F48 N6 Sb2 -","2","1","","Lan, Xiaofang; Zhang, Xin; Mei, Yanbo; Hu, Chaopeng; Liu, Liu Leo","Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt","Dalton Transactions","2023","","","","","10.1039/D3DT03310D","","x-ray","1.54178","CuKα","","0.1442","0.1107","","","0.2576","0.2729","","","","","","1.096","","","","has coordinates","287023","2023-10-18","22:56:21",""
"7714250","16.8928","0.0007","17.0063","0.0008","19.8764","0.0009","84.139","0.002","74.036","0.002","66.218","0.002","5023.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H70 B Cl F24 N5 Sb -","- C88 H70 B Cl F24 N5 Sb -","- C176 H140 B2 Cl2 F48 N10 Sb2 -","2","1","","Lan, Xiaofang; Zhang, Xin; Mei, Yanbo; Hu, Chaopeng; Liu, Liu Leo","Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt","Dalton Transactions","2023","","","","","10.1039/D3DT03310D","","","1.34139","GaKα","","0.1134","0.0902","","","0.2432","0.2596","","","","","","1.101","","","","has coordinates,has disorder","287023","2023-10-18","22:56:21",""
"7714251","21.02657","0.00006","14.43623","0.00004","21.17731","0.00006","90","","90.6664","0.0002","90","","6427.82","0.03","173.01","0.1","173.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F6 N3 O P -","- C13 H14 F6 N3 O P -","- C208 H224 F96 N48 O16 P16 -","16","4","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","1.54184","CuKα","","0.0434","0.0424","","","0.1161","0.1168","","","","","","1.05","","","","has coordinates","287024","2023-10-18","22:58:15",""
"7714252","10.25664","0.00008","9.94244","0.00008","11.26378","0.00009","90","","91.5286","0.0007","90","","1148.23","0.016","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","1.54184","CuKα","","0.032","0.0312","","","0.0806","0.0813","","","","","","1.042","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714253","13.80951","0.00016","14.64287","0.00017","20.4888","0.0002","90","","90","","90","","4143.06","0.08","173.01","0.1","173.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 N3 O Pd -","- C13 H13 Cl2 N3 O Pd -","- C104 H104 Cl16 N24 O8 Pd8 -","8","1","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","1.54184","CuKα","","0.0425","0.0394","","","0.1222","0.125","","","","","","1.095","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714254","9.85526","0.00008","13.58959","0.00009","11.48119","0.00009","90","","107.997","0.0008","90","","1462.43","0.02","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 N3 Pd -","- C13 H15 Cl2 N3 Pd -","- C52 H60 Cl8 N12 Pd4 -","4","1","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.0851","0.0852","","","","","","1.098","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714255","30.25121","0.00018","9.45051","0.00005","14.29074","0.00007","90","","93.7911","0.0005","90","","4076.63","0.04","173.01","0.1","173.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Cl2 N3 O Pd -","- C21 H21 Cl2 N3 O Pd -","- C168 H168 Cl16 N24 O8 Pd8 -","8","1","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","0.71073","MoKα","","0.0221","0.0207","","","0.0533","0.054","","","","","","1.101","","","","has coordinates,has disorder","287024","2023-10-18","22:58:16",""
"7714256","19.4911","0.0002","9.94886","0.00011","21.9647","0.0003","90","","90","","90","","4259.27","0.09","173","0.1","173","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H21 Cl4 N3 O Pd -","- C17 H21 Cl4 N3 O Pd -","- C136 H168 Cl32 N24 O8 Pd8 -","8","2","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","0.71073","MoKα","","0.0925","0.0892","","","0.2152","0.2198","","","","","","1.085","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714257","10.44149","0.00012","11.38265","0.00013","11.56249","0.00013","90","","90.8439","0.001","90","","1374.07","0.03","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl2 N3 O Pd -","- C12 H11 Cl2 N3 O Pd -","- C48 H44 Cl8 N12 O4 Pd4 -","4","1","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","1.54184","CuKα","","0.0292","0.0291","","","0.0747","0.0747","","","","","","1.0453","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714258","10.1971","0.0004","14.3001","0.0005","27.0785","0.0011","90","","90","","90","","3948.6","0.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Moiras Complex A","","- C38 H40 Cu2 N4 O8 S2 -","- C38 H40 Cu2 N4 O8 S2 -","- C152 H160 Cu8 N16 O32 S8 -","4","1","","Ojo, Oluwarotimi Stephen; Sale, Halilu; Symes, Mark D.; Wilson, Claire","Synthesis of a chiral dinuclear Cu(II)-benzothiazolamine complex: evidence of cuprophilic interaction in its structure, exploration of its electrochemical property, and catalytic performance.","Dalton Transactions","2023","","","","","10.1039/D3DT02994H","","","0.71073","MoKα","","0.0544","0.0405","","","0.084","0.0896","","","","","","1.013","","","","has coordinates","287040","2023-10-19","22:50:12",""
"7714259","13.3506","0.0007","13.3506","0.0007","21.3882","0.0014","90","","90","","120","","3301.5","0.3","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H9 B Cl6 O3 -","- C18 H9 B Cl6 O3 -","- C108 H54 B6 Cl36 O18 -","6","0.333333","","Sokolnicki, Tomasz; Alharbi, Mashael; van Ingen, Yara; Rahim, Shahnaz; Pramanik, Milan; Roldan, Alberto; Walkowiak, Jedrzej; Melen, Rebecca","Reactivity of a series of triaryl borates, B(OArx)3, in hydroboration catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT03333C","","","0.71073","MoKα","","0.0805","0.0644","","","0.1801","0.198","","","","","","1.037","","","","has coordinates","287064","2023-10-20","23:03:13",""
"7714260","15.1659","0.0003","10.0959","0.0002","14.2062","0.0003","90","","93.945","0.002","90","","2170.01","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 B F9 O3 -","- C21 H12 B F9 O3 -","- C84 H48 B4 F36 O12 -","4","1","","Sokolnicki, Tomasz; Alharbi, Mashael; van Ingen, Yara; Rahim, Shahnaz; Pramanik, Milan; Roldan, Alberto; Walkowiak, Jedrzej; Melen, Rebecca","Reactivity of a series of triaryl borates, B(OArx)3, in hydroboration catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT03333C","","","1.54178","CuKα","","0.0541","0.042","","","0.1153","0.1289","","","","","","1.043","","","","has coordinates","287064","2023-10-20","23:03:14",""
"7714261","18.6886","0.0001","19.6047","0.0002","19.8873","0.0002","105.421","0.001","105.007","0.001","116.992","0.001","5614.54","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C212 H102 Ag14 Cu2 F84 P4 -","- C212 H102 Ag14 Cu2 F84 P4 -","- C212 H102 Ag14 Cu2 F84 P4 -","1","0.5","","Shen, Quanli; Cong, Xuzi; Chen, Leyi; Wang, Lei; Liu, Yonggang; Wang, Likai; Tang, Zhenghua","Synthesis, structure anatomy, and catalytic properties of Ag14Cu2 nanoclusters co-protected by alkynyl and phosphine ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02838K","","x-ray","0.71073","MoKα","","0.045","0.0358","","","0.0931","0.1007","","","","","","1.037","","","","has coordinates,has disorder","287065","2023-10-20","23:03:39",""
"7714262","8.9068","0.0003","19.6606","0.0006","9.8849","0.0004","90","","109.16","0.004","90","","1635.09","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N10 O14 V2 -","- C23 H28 N10 O14 V2 -","- C46 H56 N20 O28 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","x-ray","0.71073","MoKα","","0.0405","0.0377","","","0.0904","0.0932","","","","","","1.043","","","","has coordinates","287066","2023-10-20","23:04:13",""
"7714263","10.1454","0.0002","13.6326","0.0002","12.7784","0.0002","90","","109.196","0.002","90","","1669.09","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N12 O12 V2 -","- C22 H34 N12 O12 V2 -","- C44 H68 N24 O24 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","x-ray","1.54184","CuKα","","0.044","0.0384","","","0.0942","0.1091","","","","","","1.1","","","","has coordinates","287066","2023-10-20","23:04:14",""
"7714264","8.8863","0.0001","19.5997","0.0001","9.8686","0.0001","90","","108.907","0.001","90","","1626.07","0.03","100","0.1","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N10 O14 V2 -","- C23 H28 N10 O14 V2 -","- C46 H56 N20 O28 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","","1.54184","CuKα","","0.0289","0.0266","","","0.0698","0.0713","","","","","","1.082","","","","has coordinates","287066","2023-10-20","23:04:14",""
"7714265","10.1662","0.0001","13.6125","0.0001","12.8047","0.0001","90","","109.405","0.001","90","","1671.35","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N12 O12 V2 -","- C22 H34 N12 O12 V2 -","- C44 H68 N24 O24 V4 -","2","1","","Zhu, Shuang-Shuang; Xie, Zhenlang; Deng, Lan; Wang, Si-Yuan; Ni, Lubin; Zhou, Zhao-Hui","Protonated and deprotonated vanadyl imidazole tartrates for the mimics of the vanadium coordination in FeV-cofactor of V-nitrogenase","Dalton Transactions","2023","","","","","10.1039/D3DT02903D","","x-ray","1.54184","CuKα","","0.03","0.0257","","","0.0662","0.0695","","","","","","1.036","","","","has coordinates","287066","2023-10-20","23:04:14",""
"7714266","12.9281","0.0005","12.2645","0.0004","13.2506","0.0004","90","","95.12","0.004","90","","2092.59","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B F2 N2 -","- C23 H27 B F2 N2 -","- C92 H108 B4 F8 N8 -","4","1","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.0937","0.0614","","","0.1818","0.1998","","","","","","1.074","","","","has coordinates","287067","2023-10-20","23:05:39",""
"7714267","10.929","0.0004","10.2818","0.0004","13.9166","0.0005","90","","90","","90","","1563.81","0.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H23 B F2 N2 -","- C15 H23 B F2 N2 -","- C60 H92 B4 F8 N8 -","4","0.5","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.0465","0.0392","","","0.1049","0.1089","","","","","","1.087","","","","has coordinates","287067","2023-10-20","23:05:40",""
"7714268","24.46","0.002","8.6052","0.0008","24.688","0.003","90","","103.579","0.011","90","","5051.2","0.9","298","","298","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H54 B2 F4 N4 -","- C50 H54 B2 F4 N4 -","- C200 H216 B8 F16 N16 -","4","1","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","x-ray","0.71073","MoKα","","0.1369","0.0756","","","0.1941","0.2265","","","","","","1.019","","","","has coordinates","287067","2023-10-20","23:05:40",""
"7714269","15.8107","0.0008","18.733","0.0008","19.3851","0.0009","90","","90","","90","","5741.5","0.5","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H43 Li N2 O2 -","- C31 H43 Li N2 O2 -","- C248 H344 Li8 N16 O16 -","8","1","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.0461","0.0411","","","0.1023","0.1069","","","","","","1.026","","","","has coordinates,has disorder","287067","2023-10-20","23:05:40",""
"7714270","11.848","0.0009","9.1474","0.0006","20.2739","0.0013","90","","102.996","0.007","90","","2141","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 B F2 N2 -","- C23 H27 B F2 N2 -","- C92 H108 B4 F8 N8 -","4","1","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.1068","0.0806","","","0.2361","0.2596","","","","","","1.074","","","","has coordinates,has disorder","287067","2023-10-20","23:05:40",""
"7714271","14.8124","0.0011","10.4197","0.0007","13.3309","0.0009","90","","97.223","0.002","90","","2041.2","0.2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 B F2 N2 -","- C23 H27 B F2 N2 -","- C92 H108 B4 F8 N8 -","4","0.5","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.0737","0.0684","","","0.1751","0.1787","","","","","","1.135","","","","has coordinates,has disorder","287067","2023-10-20","23:05:40",""
"7714272","9.101","0.003","22.767","0.007","37.013","0.012","90","","90","","90","","7669","4","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F2 N2 -","- C19 H25 B F2 N2 -","- C304 H400 B16 F32 N32 -","16","2","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.188","0.1061","","","0.2389","0.2858","","","","","","1.043","","","","has coordinates,has disorder","287067","2023-10-20","23:05:41",""
"7714273","10.7174","0.0004","11.7914","0.0006","15.5572","0.0006","106.892","0.002","90.144","0.001","100.581","0.002","1845.93","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H67 N Ru2 -","- C38 H67 N Ru2 -","- C76 H134 N2 Ru4 -","2","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.035","0.0283","","","0.0607","0.0639","","","","","","1.054","","","","has coordinates","287068","2023-10-20","23:07:55",""
"7714274","10.5579","0.0005","33.9623","0.0012","11.0622","0.0005","90","","97.352","0.001","90","","3934","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 N2 Ru2 -","- C42 H70 N2 Ru2 -","- C168 H280 N8 Ru8 -","4","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0672","0.0499","","","0.0913","0.0987","","","","","","1.048","","","","has coordinates","287068","2023-10-20","23:07:55",""
"7714275","11.7256","0.0003","10.3388","0.0004","28.2062","0.0009","90","","91.814","0.001","90","","3417.69","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H60 O Ru2 -","- C35 H55.2 O Ru2 -","- C140 H220.8 O4 Ru8 -","4","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0216","0.0205","","","0.0524","0.0532","","","","","","0.963","","","","has coordinates,has disorder","287068","2023-10-20","23:07:56",""
"7714276","16.9579","0.0004","17.0098","0.0005","28.8179","0.0008","90","","90","","90","","8312.5","0.4","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H74 N2 Ru2 -","- C44 H66 N2 Ru2 -","- C352 H528 N16 Ru16 -","8","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0487","0.0358","","","0.0819","0.087","","","","","","1.022","","","","has coordinates,has disorder","287068","2023-10-20","23:07:56",""
"7714277","10.7555","0.0003","35.2527","0.0011","11.1031","0.0004","90","","97.625","0.001","90","","4172.6","0.2","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 N2 Ru2 -","- C44 H74 N2 Ru2 -","- C176 H296 N8 Ru8 -","4","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0657","0.0457","","","0.095","0.1041","","","","","","1.068","","","","has coordinates","287068","2023-10-20","23:07:56",""
"7714278","18.4357","0.0008","11.3913","0.0006","20.9382","0.001","90","","102.307","0.001","90","","4296.1","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 N2 Ru2 -","- C46 H76 N2 Ru2 -","- C184 H304 N8 Ru8 -","4","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0753","0.0466","","","0.091","0.1021","","","","","","1.04","","","","has coordinates","287068","2023-10-20","23:07:56",""
"7714279","12.2704","0.0005","16.9468","0.0007","20.4301","0.0009","90","","104.068","0.002","90","","4120.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H70 N2 O Ru2 -","- C43 H70 N2 O Ru2 -","- C172 H280 N8 O4 Ru8 -","4","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0472","0.035","","","0.0818","0.0866","","","","","","1.056","","","","has coordinates","287068","2023-10-20","23:07:56",""
"7714280","14.6002","0.0009","16.8492","0.0011","18.1756","0.001","90","","99.985","0.002","90","","4403.5","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 N2 Ru2 -","- C46 H76 N2 Ru2 -","- C184 H304 N8 Ru8 -","4","0.5","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0789","0.0519","","","0.1131","0.1503","","","","","","1.108","","","","has coordinates,has disorder","287068","2023-10-20","23:07:57",""
"7714281","11.366","0.004","13.418","0.006","15.982","0.006","89.65","0.03","71.93","0.02","67.437","0.016","2122.1","1.5","293.15","","293","2","","","","","","","","8","P -1","-P 1","2","","{[CpFe(dppe)CN]2Ru(MeO-py)4}[PF6]2","","- C88 H84 F12 Fe2 N6 O4 P6 Ru -","- C88 H86 F12 Fe2 N6 O4 P6 Ru -","- C88 H86 F12 Fe2 N6 O4 P6 Ru -","1","0.5","","Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification","Dalton Transactions","2023","","","","","10.1039/D3DT02208K","","","0.71073","MoKα","","0.096","0.0771","","","0.1367","0.1544","","","","","","1.142","","","","has coordinates","287072","2023-10-21","22:49:21",""
"7714282","12.8285","0.0002","15.42782","0.00019","28.5354","0.0003","96.4022","0.0009","101.32","0.0012","91.2395","0.0012","5497.71","0.13","99.9","0.3","99.9","0.3","","","","","","","","10","P -1","-P 1","2","","","","- C99 H108 B4 Cl2 F16 Fe2 N6 O4 P4 Ru -","- C99 H108 B4 Cl2 F16 Fe2 N6 O4 P4 Ru -","- C198 H216 B8 Cl4 F32 Fe4 N12 O8 P8 Ru2 -","2","1","","Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification","Dalton Transactions","2023","","","","","10.1039/D3DT02208K","","x-ray","1.3405","GaKα","","0.1225","0.1096","","","0.2895","0.2998","","","","","","1.033","","","","has coordinates","287072","2023-10-21","22:49:21",""
"7714283","13.786","0.0002","32.4422","0.0004","25.3027","0.0004","90","","100.979","0.002","90","","11109.5","0.3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C99 H108 Cl2 F12 Fe2 N6 O4 P6 Ru -","- C99 H108 Cl2 F12 Fe2 N6 O4 P6 Ru -","- C396 H432 Cl8 F48 Fe8 N24 O16 P24 Ru4 -","4","1","","Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification","Dalton Transactions","2023","","","","","10.1039/D3DT02208K","","x-ray","1.3405","GaKα","","0.0648","0.0538","","","0.1558","0.1624","","","","","","1.047","","","","has coordinates","287072","2023-10-21","22:49:22",""
"7714284","15.4029","0.0002","36.5766","0.0004","17.9","0.0002","90","","108.324","0.001","90","","9573.3","0.2","99.98","0.13","99.98","0.13","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C96 H98 B3 F12 Fe2 N10 O4 P4 Ru -","- C96 H98 B3 F12 Fe2 N10 O4 P4 Ru -","- C384 H392 B12 F48 Fe8 N40 O16 P16 Ru4 -","4","1","","Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification","Dalton Transactions","2023","","","","","10.1039/D3DT02208K","","x-ray","1.3405","GaKα","","0.0754","0.0642","","","0.1662","0.1731","","","","","","1.027","","","","has coordinates","287072","2023-10-21","22:49:22",""
"7714285","14.2053","0.0003","15.3072","0.0003","23.6959","0.0006","82.436","0.002","78.481","0.002","76.674","0.002","4892.96","0.19","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C92 H92 B4 F16 Fe2 N8 O4 P4 Ru -","- C92 H92 B4 F16 Fe2 N8 O4 P4 Ru -","- C184 H184 B8 F32 Fe4 N16 O8 P8 Ru2 -","2","1","","Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification","Dalton Transactions","2023","","","","","10.1039/D3DT02208K","","","1.3405","GaKα","","0.0909","0.0692","","","0.1848","0.2045","","","","","","1.082","","","","has coordinates,has disorder","287072","2023-10-21","22:49:22",""
"7714286","29.9516","0.0008","26.1705","0.0004","31.3955","0.0008","90","","116.09","0.003","90","","22101.7","1","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C105 H122 Cl6 F18 Fe2 N6 O5 P7 Ru -","- C105 H122 Cl6 F18 Fe2 N6 O5 P7 Ru -","- C840 H976 Cl48 F144 Fe16 N48 O40 P56 Ru8 -","8","1","","Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification","Dalton Transactions","2023","","","","","10.1039/D3DT02208K","","","1.3405","GaKα","","0.094","0.0889","","","0.2396","0.243","","","","","","1.074","","","","has coordinates","287072","2023-10-21","22:49:22",""
"7714287","14.894","0.003","30.171","0.006","18.312","0.003","90","","102.716","0.003","90","","8027","3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H69 O6 Pr Si3 -","- C72 H69 O6 Pr Si3 -","- C288 H276 O24 Pr4 Si12 -","4","1","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.1555","0.0792","","","0.1795","0.2132","","","","","","0.987","","","","has coordinates,has disorder","287082","2023-10-23","22:59:09",""
"7714288","13.7971","0.0013","18.7106","0.0017","14.0466","0.0013","90","","119.007","0.002","90","","3171.3","0.5","300","","300","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C72 H69 Ce O6 Si3 -","- C72 H69 Ce O6 Si3 -","- C144 H138 Ce2 O12 Si6 -","2","0.5","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.0598","0.0467","","","0.1154","0.1241","","","","","","1.07","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714289","13.824","0.002","14.321","0.002","19.077","0.003","97.802","0.002","101.973","0.002","116.853","0.002","3180.2","0.8","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H61 Ce Cl O5 Si3 -","- C68 H61 Ce Cl O5 Si3 -","- C136 H122 Ce2 Cl2 O10 Si6 -","2","1","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.1805","0.075","","","0.1485","0.1903","","","","","","0.958","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714290","13.8866","0.0011","18.966","0.0015","23.8269","0.0018","90","","92.311","0.001","90","","6270.3","0.8","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H70 Ce O6 Si3 -","- C72 H70 Ce O6 Si3 -","- C288 H280 Ce4 O24 Si12 -","4","1","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.0925","0.0439","","","0.0977","0.1168","","","","","","1.005","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714291","23.643","0.004","15.923","0.003","19.313","0.003","90","","108.165","0.002","90","","6908","2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H69 Lu O6 Si3 -","- C72 H69 Lu O6 Si3 -","- C288 H276 Lu4 O24 Si12 -","4","1","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.1607","0.0762","","","0.1543","0.1965","","","","","","1.018","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714292","13.9197","0.0004","18.7147","0.0005","23.9418","0.0007","90","","91.992","0.001","90","","6233.1","0.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H69 O6 Si3 Tb -","- C72 H69 O6 Si3 Tb -","- C288 H276 O24 Si12 Tb4 -","4","1","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.0505","0.0311","","","0.0708","0.0807","","","","","","1.124","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714293","11.3274","0.0009","14.4251","0.0011","24.4081","0.0017","106.098","0.002","99.033","0.002","93.239","0.002","3763.3","0.5","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H69 O6 Si3 Y -","- C72 H69 O6 Si3 Y -","- C144 H138 O12 Si6 Y2 -","2","1","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.1066","0.0622","","","0.1423","0.1707","","","","","","1.024","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714294","11.682","0.003","13.1359","0.0019","13.467","0.002","73.078","0.005","79.266","0.009","71.317","0.009","1863","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 B2 P2 -","- C44 H56 B2 P2 -","- C88 H112 B4 P4 -","2","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.1045","0.0706","","","0.1218","0.1307","","","","","","1.095","","","","has coordinates","287098","2023-10-24","23:00:20",""
"7714295","12.7391","0.0004","13.6807","0.0005","16.2189","0.0005","65.293","0.002","80.363","0.002","77.83","0.002","2500.13","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 B2 O P2 -","- C60 H74 B2 O P2 -","- C120 H148 B4 O2 P4 -","2","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.1279","0.0651","","","0.127","0.1508","","","","","","1.012","","","","has coordinates,has disorder","287098","2023-10-24","23:00:21",""
"7714296","18.035","0.0018","10.8962","0.001","19.662","0.004","90","","90","","90","","3863.8","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H57 B Na O3 P -","- C40 H57 B Na O3 P -","- C160 H228 B4 Na4 O12 P4 -","4","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0937","0.0649","","","0.1492","0.1652","","","","","","1.065","","","","has coordinates,has disorder","287098","2023-10-24","23:00:21",""
"7714297","10.3398","0.0006","11.6405","0.0007","14.3578","0.0009","93.217","0.002","93.157","0.002","102.117","0.002","1682.99","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H98 B2 Na2 O4 P2 Se2 -","- C72 H98 B2 Na2 O4 P2.166 Se2 -","- C72 H98 B2 Na2 O4 P2.166 Se2 -","1","0.5","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0844","0.083","","","0.2506","0.251","","","","","","1.139","","","","has coordinates,has disorder","287098","2023-10-24","23:00:21",""
"7714298","12.452","0.0005","21.99","0.0007","12.6888","0.0005","90","","106.105","0.002","90","","3338.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 B2 Na2 O6 P2 -","- C72 H98 B2 Na2 O6 P2 -","- C144 H196 B4 Na4 O12 P4 -","2","0.5","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0612","0.0493","","","0.1135","0.1205","","","","","","1.036","","","","has coordinates","287098","2023-10-24","23:00:22",""
"7714299","10.6741","0.0004","23.3192","0.0009","15.7863","0.0006","90","","100.784","0.002","90","","3860","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H56 B N2 P Sn -","- C40 H52 B N2 P Sn -","- C160 H208 B4 N8 P4 Sn4 -","4","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.043","0.0305","","","0.0634","0.0678","","","","","","1.035","","","","has coordinates","287098","2023-10-24","23:00:22",""
"7714300","12.4512","0.0011","18.8303","0.0014","24.5695","0.0019","90","","90","","90","","5760.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H42 B O P -","- C33 H42 B O P -","- C264 H336 B8 O8 P8 -","8","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0892","0.0715","","","0.139","0.1435","","","","","","1.227","","","","has coordinates","287098","2023-10-24","23:00:22",""
"7714301","11.7259","0.0005","13.9936","0.0005","20.7353","0.0008","90","","104.233","0.001","90","","3298","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H49 B K O2 P -","- C36 H49 B K O2 P -","- C144 H196 B4 K4 O8 P4 -","4","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0853","0.0547","","","0.1349","0.1509","","","","","","1.053","","","","has coordinates","287098","2023-10-24","23:00:22",""
"7714302","11.2912","0.0016","12.339","0.002","15.225","0.003","79.661","0.005","79.404","0.006","88.828","0.005","2051","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H122 B2 Na2 O10 P2 -","- C88 H122 B2 Na2 O10 P2 -","- C88 H122 B2 Na2 O10 P2 -","1","0.5","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0814","0.0589","","","0.146","0.1672","","","","","","1.041","","","","has coordinates,has disorder","287098","2023-10-24","23:00:22",""
"7714303","11.6378","0.0002","13.814","0.0002","15.5581","0.0002","112.277","0.001","94.164","0.001","108.053","0.001","2148.59","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H70 Dy2 Mn2 N36 O34 -","- C54 H70 Dy2 Mn2 N36 O34 -","- C54 H70 Dy2 Mn2 N36 O34 -","1","0.5","","Kuang, Xiao-Man; Li, You-Hong; Yang, Meng; Dong, Wen; Leng, Ji-Dong","LnIII/MnII-LnIII complexes derived from salicylic azo dye ligand: synthesis, structures, magnetic and fluorescent properties","Dalton Transactions","2023","","","","","10.1039/D3DT02876C","","x-ray","1.54184","CuKα","","0.0561","0.0506","","","0.1437","0.1545","","","","","","1.031","","","","has coordinates","287099","2023-10-24","23:02:36",""
"7714304","11.6539","0.0003","13.7912","0.0003","15.5805","0.0004","112.375","0.002","94.0318","0.0019","108.238","0.002","2147.49","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H70 Mn2 N36 O34 Tb2 -","- C54 H70 Mn2 N36 O34 Tb2 -","- C54 H70 Mn2 N36 O34 Tb2 -","1","0.5","","Kuang, Xiao-Man; Li, You-Hong; Yang, Meng; Dong, Wen; Leng, Ji-Dong","LnIII/MnII-LnIII complexes derived from salicylic azo dye ligand: synthesis, structures, magnetic and fluorescent properties","Dalton Transactions","2023","","","","","10.1039/D3DT02876C","","x-ray","0.71073","MoKα","","0.0553","0.0434","","","0.1092","0.1142","","","","","","0.985","","","","has coordinates","287099","2023-10-24","23:02:37",""
"7714305","18.555","0.0004","24.2497","0.0005","20.6085","0.0005","90","","100.863","0.002","90","","9106.7","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 N30 O33 Tb2 -","- C60 H78 N30 O33 Tb2 -","- C240 H312 N120 O132 Tb8 -","4","1","","Kuang, Xiao-Man; Li, You-Hong; Yang, Meng; Dong, Wen; Leng, Ji-Dong","LnIII/MnII-LnIII complexes derived from salicylic azo dye ligand: synthesis, structures, magnetic and fluorescent properties","Dalton Transactions","2023","","","","","10.1039/D3DT02876C","","x-ray","0.71073","MoKα","","0.0964","0.0618","","","0.1379","0.1506","","","","","","1.016","","","","has coordinates","287099","2023-10-24","23:02:37",""
"7714306","18.5421","0.0004","24.3774","0.0005","20.5877","0.0005","90","","100.629","0.002","90","","9146.1","0.4","150","0.11","150","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 Dy2 N30 O33 -","- C60 H78 Dy2 N30 O33 -","- C240 H312 Dy8 N120 O132 -","4","1","","Kuang, Xiao-Man; Li, You-Hong; Yang, Meng; Dong, Wen; Leng, Ji-Dong","LnIII/MnII-LnIII complexes derived from salicylic azo dye ligand: synthesis, structures, magnetic and fluorescent properties","Dalton Transactions","2023","","","","","10.1039/D3DT02876C","","x-ray","0.71073","MoKα","","0.0846","0.0648","","","0.1534","0.1665","","","","","","0.841","","","","has coordinates","287099","2023-10-24","23:02:37",""
"7714307","11.7348","0.0005","12.2893","0.0004","13.6241","0.0004","84.601","0.003","75.93","0.003","70.807","0.003","1799.67","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 F6 Ir N6 P S2 -","- C38 H30 F6 Ir N6 P S2 -","- C76 H60 F12 Ir2 N12 P2 S4 -","2","1","","Fitzgerald, Sophie A.; Payce, Ellie N.; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","2-(Thienyl)quinoxaline derivatives and their application in Ir(III) complexes yielding tuneable deep red emitters.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02193a","","x-ray","0.71075","MoKα","K-L~3~","0.0913","0.043","","","0.087","0.102","","","","","","1.0674","","","","has coordinates,has disorder","287100","2023-10-24","23:03:42",""
"7714308","14.0214","0.0004","20.399","0.0008","20.6263","0.0004","74.988","0.002","78.654","0.002","87.905","0.003","5586.2","0.3","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35.33 H20 Cl4 F6 Ir N6.67 P S2 -","- C34 H18 Cl4 F6 Ir N6 P S2 -","- C204 H108 Cl24 F36 Ir6 N36 P6 S12 -","6","3","","Fitzgerald, Sophie A.; Payce, Ellie N.; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","2-(Thienyl)quinoxaline derivatives and their application in Ir(III) complexes yielding tuneable deep red emitters.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02193a","","x-ray","0.6889","Synchrotron","","0.1969","0.1339","","","0.3724","0.4106","","","","","","1.25","","","","has coordinates,has disorder","287100","2023-10-24","23:03:43",""
"7714309","13.262","0.002","13.818","0.003","24.319","0.004","104.555","0.007","104.167","0.007","90.51","0.006","4170.6","1.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H87 Cr Mo6 N4 O49 Y -","- C62 H61 Cr Mo6 N4 O36 Y -","- C124 H122 Cr2 Mo12 N8 O72 Y2 -","2","1","","Tan, Hong-Ru; Zhou, Xiang; You, Hanqi; Zheng, Qi; Zhao, Sheng-yin; Xuan, Weimin","A Porous Anderson-Type Polyoxometalate-based Metal-Organic Framework as Multifunctional Platform for Selective Oxidative Coupling with Amines","Dalton Transactions","2023","","","","","10.1039/D3DT02620E","","","0.71073","MoKα","","0.0771","0.0536","","","0.1415","0.1558","","","","","","1.051","","","","has coordinates,has disorder","287117","2023-10-25","22:55:01",""
"7714310","7.9077","0.0002","9.9326","0.0002","11.2085","0.0003","75.009","0.002","80.544","0.002","72.856","0.002","808.91","0.04","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Al N O2 -","- C17 H20 Al N O2 -","- C34 H40 Al2 N2 O4 -","2","1","","Chen, Hsuan-Ying; Ganta, Prasanna Kumar; Teja, Mallemadugula Ravi; Chang, Chun-Juei; Anandan, Sambandam; Kamaraj, Rajiv; Chu, Yu-Ting; Ding, Shangwu; Chen, Hsing-Yin","Improvement of Catalytic Activity of Aluminum Complexes for the Ring-Opening Polymerization of ε‑Caprolactone: Aluminum Thioamidate and Thioureidate Systems","Dalton Transactions","2023","","","","","10.1039/D3DT03198E","","x-ray","0.71073","MoKα","","0.0414","0.0377","","","0.1016","0.1043","","","","","","1.071","","","","has coordinates","287118","2023-10-25","22:55:51",""
"7714311","8.6661","0.0003","9.5072","0.0003","10.4135","0.0004","67.106","0.003","70.895","0.003","85.831","0.002","745.38","0.05","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Al Cl N2 O -","- C13 H20 Al Cl N2 O -","- C26 H40 Al2 Cl2 N4 O2 -","2","1","","Chen, Hsuan-Ying; Ganta, Prasanna Kumar; Teja, Mallemadugula Ravi; Chang, Chun-Juei; Anandan, Sambandam; Kamaraj, Rajiv; Chu, Yu-Ting; Ding, Shangwu; Chen, Hsing-Yin","Improvement of Catalytic Activity of Aluminum Complexes for the Ring-Opening Polymerization of ε‑Caprolactone: Aluminum Thioamidate and Thioureidate Systems","Dalton Transactions","2023","","","","","10.1039/D3DT03198E","","x-ray","0.71073","MoKα","","0.0362","0.0324","","","0.0846","0.0869","","","","","","1.086","","","","has coordinates","287118","2023-10-25","22:55:51",""
"7714312","9.1255","0.0001","9.5913","0.0002","9.7627","0.0002","74.366","0.002","70.847","0.002","82.515","0.002","776.5","0.03","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Al N2 O2 -","- C14 H23 Al N2 O2 -","- C28 H46 Al2 N4 O4 -","2","1","","Chen, Hsuan-Ying; Ganta, Prasanna Kumar; Teja, Mallemadugula Ravi; Chang, Chun-Juei; Anandan, Sambandam; Kamaraj, Rajiv; Chu, Yu-Ting; Ding, Shangwu; Chen, Hsing-Yin","Improvement of Catalytic Activity of Aluminum Complexes for the Ring-Opening Polymerization of ε‑Caprolactone: Aluminum Thioamidate and Thioureidate Systems","Dalton Transactions","2023","","","","","10.1039/D3DT03198E","","x-ray","0.71073","MoKα","","0.0395","0.0353","","","0.0962","0.0989","","","","","","1.073","","","","has coordinates","287118","2023-10-25","22:55:52",""
"7714313","8.8582","0.0002","9.1762","0.0002","12.882","0.0002","100.483","0.002","98.099","0.002","90.645","0.002","1018.63","0.04","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Al2 N2 O2 -","- C38 H48 Al2 N2 O2 -","- C38 H48 Al2 N2 O2 -","1","0.5","","Chen, Hsuan-Ying; Ganta, Prasanna Kumar; Teja, Mallemadugula Ravi; Chang, Chun-Juei; Anandan, Sambandam; Kamaraj, Rajiv; Chu, Yu-Ting; Ding, Shangwu; Chen, Hsing-Yin","Improvement of Catalytic Activity of Aluminum Complexes for the Ring-Opening Polymerization of ε‑Caprolactone: Aluminum Thioamidate and Thioureidate Systems","Dalton Transactions","2023","","","","","10.1039/D3DT03198E","","x-ray","0.71073","MoKα","","0.0716","0.066","","","0.1704","0.1745","","","","","","1.077","","","","has coordinates","287118","2023-10-25","22:55:52",""
"7714314","8.8488","0.0004","16.8077","0.0009","29.576","0.0016","90","","90","","90","","4398.8","0.4","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Cl N P -","- C22 H33 Cl N P -","- C176 H264 Cl8 N8 P8 -","8","1","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.0877","0.0625","","","0.1566","0.1711","","","","","","1.053","","","","has coordinates","287119","2023-10-25","22:57:21",""
"7714315","24.69","0.003","35.674","0.004","18.131","0.002","90","","90","","90","","15970","3","109","2","109","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C44 H66 N2 P2 -","- C44 H66 N2 P2 -","- C704 H1056 N32 P32 -","16","1","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.1","0.0703","","","0.1684","0.1942","","","","","","1.032","","","","has coordinates,has disorder","287119","2023-10-25","22:57:22",""
"7714316","15.5985","0.0009","19.432","0.0013","29.7451","0.0016","90","","90","","90","","9016","0.9","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 I N P -","- C22 H33 I N P -","- C352 H528 I16 N16 P16 -","16","2","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.0873","0.0456","","","0.1029","0.1255","","","","","","1.009","","","","has coordinates,has disorder","287119","2023-10-25","22:57:22",""
"7714317","9.2049","0.0008","16.6408","0.0013","29.176","0.003","90","","90","","90","","4469.1","0.7","302","2","302","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Br N P -","- C22 H33 Br N P -","- C176 H264 Br8 N8 P8 -","8","1","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.0587","0.0393","","","0.0962","0.1067","","","","","","1.063","","","","has coordinates,has disorder","287119","2023-10-25","22:57:22",""
"7714318","14.445","0.003","14.703","0.003","15.916","0.003","108.45","0.02","93.03","0.02","103.86","0.02","3082.7","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H157 Cu6 N34 O41.5 -","- C96.028 H146.032 Cu6 N34.006 O41.494 -","- C96.028 H146.032 Cu6 N34.006 O41.494 -","1","0.5","","Gregoliński, Janusz; Fedorowicz, Dominka; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Hexa- and octanuclear copper(II) complexes with tetraeicosaaza amine macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT02993J","","x-ray","1.5418","CuKα","","0.0619","0.0577","","","0.1681","0.1717","","","","","","1.054","","","","has coordinates,has disorder","287120","2023-10-25","22:58:32",""
"7714319","10.065","0.002","18.867","0.005","19.228","0.004","109.78","0.02","95.56","0.02","97.3","0.02","3369.6","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H171 Cl16 Cu8 N25 O16 -","- C98 H159 Cl16 Cu8 N25 O16 -","- C98 H159 Cl16 Cu8 N25 O16 -","1","0.5","","Gregoliński, Janusz; Fedorowicz, Dominka; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Hexa- and octanuclear copper(II) complexes with tetraeicosaaza amine macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT02993J","","x-ray","1.5418","CuKα","","0.1073","0.0821","","","0.2334","0.2514","","","","","","1.037","","","","has coordinates,has disorder","287120","2023-10-25","22:58:32",""
"7714320","15.591","0.003","17.137","0.002","18.252","0.003","104.8","0.02","104.09","0.02","112.11","0.02","4042","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H241 Cu8 N26 O81.5 S8 -","- C100 H215 Cu8 N26 O81.4918 S7.998 -","- C100 H215 Cu8 N26 O81.4918 S7.998 -","1","0.5","","Gregoliński, Janusz; Fedorowicz, Dominka; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Hexa- and octanuclear copper(II) complexes with tetraeicosaaza amine macrocycle","Dalton Transactions","2023","","","","","10.1039/D3DT02993J","","x-ray","1.5418","CuKα","","0.1021","0.0693","","","0.1905","0.213","","","","","","1.061","","","","has coordinates,has disorder","287120","2023-10-25","22:58:33",""
"7714321","18.5182","0.0008","8.8243","0.0003","12.7708","0.0006","90","","98.443","0.002","90","","2064.26","0.15","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- K4 O19 Se2 V4 Zn3 -","- K4 O19.02 Se2 V4 Zn3 -","- K16 O76.08 Se8 V16 Zn12 -","4","0.5","","Feng, Qiuyuan; Gao, Zhixia; Hou, Ketian; Wang, Jialong; Du, Hong; Jing, Qun","Synthesis, Structure and Properties of Two New Selenite Optical Materials: K2Zn3Se4O12 and K4Zn3V4Se2O19","Dalton Transactions","2023","","","","","10.1039/D3DT03130F","","","0.71073","MoKα","","0.0365","0.0299","","","0.0662","0.0716","","","","","","1.07","","","","has coordinates","287128","2023-10-26","22:54:21",""
"7714322","13.8874","0.0004","6.904","0.0002","14.4472","0.0004","90","","95.506","0.001","90","","1378.79","0.07","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K2 O12 Se4 Zn3 -","- K2 O12 Se4 Zn3 -","- K8 O48 Se16 Zn12 -","4","1","","Feng, Qiuyuan; Gao, Zhixia; Hou, Ketian; Wang, Jialong; Du, Hong; Jing, Qun","Synthesis, Structure and Properties of Two New Selenite Optical Materials: K2Zn3Se4O12 and K4Zn3V4Se2O19","Dalton Transactions","2023","","","","","10.1039/D3DT03130F","","","0.71073","MoKα","","0.0414","0.0323","","","0.0817","0.1165","","","","","","1.165","","","","has coordinates","287128","2023-10-26","22:54:22",""
"7714323","8.8167","0.0003","6.5913","0.0002","21.1218","0.0007","90","","90","","90","","1227.46","0.07","298","2","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ba3 P S7 -","- B Ba3 P S7 -","- B4 Ba12 P4 S28 -","4","0.5","","Zhou, Jiazheng; Wang, Linan; Wang, Hongshan; Luo, Ling; Li, Junjie; Yu, Feng","Ba3(BS3)(PS4): The First Alkaline-Earth Metal Thioborate-Thiophosphate with Strong Optical Anisotropy Originated from Planar [BS3] Units","Dalton Transactions","2023","","","","","10.1039/D3DT02807K","","","0.71073","MoKα","","0.0141","0.0138","","","0.0308","0.031","","","","","","1.202","","","","has coordinates","287129","2023-10-26","22:54:49",""
"7714324","8.9204","0.0011","10.876","0.0014","14.6803","0.0019","74.81","0.005","77.611","0.006","70.889","0.005","1285.7","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl2 Cu N4 O9 -","- C24 H24 Cl2 Cu N4 O9 -","- C48 H48 Cl4 Cu2 N8 O18 -","2","1","","Mikata, Yuji; Uchida, Mizuho; Koike, Hinata; Shoji, Sunao; Ohsedo, Yutaka; Kawai, Yasushi; Matsuo, Takashi","Evaluation of oxygen-containing pentadentate ligands with pyridine/quinoline/isoquinoline binding sites via structural and electrochemical properties of mononuclear copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02814C","","","0.7107","MoKα","","0.0383","0.0343","","","0.0963","0.0995","","","","","","1.014","","","","has coordinates","287130","2023-10-26","22:55:45",""
"7714325","9.9443","0.0001","11.5048","0.0003","13.8412","0.0001","77.424","0.014","65.657","0.012","80.071","0.014","1402.03","0.15","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N5 O9 -","- C26 H27 Cl2 Cu N5 O9 -","- C52 H54 Cl4 Cu2 N10 O18 -","2","1","","Mikata, Yuji; Uchida, Mizuho; Koike, Hinata; Shoji, Sunao; Ohsedo, Yutaka; Kawai, Yasushi; Matsuo, Takashi","Evaluation of oxygen-containing pentadentate ligands with pyridine/quinoline/isoquinoline binding sites via structural and electrochemical properties of mononuclear copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02814C","","","0.71075","MoKα","","0.0585","0.0502","","","0.1211","0.1331","","","","","","1.124","","","","has coordinates","287130","2023-10-26","22:55:46",""
"7714326","19.122","0.005","8.046","0.002","19.183","0.005","90","","103.718","0.003","90","","2867.2","1.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 Cu N4 O9 -","- C28 H26 Cl2 Cu N4 O9 -","- C112 H104 Cl8 Cu4 N16 O36 -","4","1","","Mikata, Yuji; Uchida, Mizuho; Koike, Hinata; Shoji, Sunao; Ohsedo, Yutaka; Kawai, Yasushi; Matsuo, Takashi","Evaluation of oxygen-containing pentadentate ligands with pyridine/quinoline/isoquinoline binding sites via structural and electrochemical properties of mononuclear copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02814C","","","0.7107","MoKα","","0.0654","0.057","","","0.1487","0.1566","","","","","","1.065","","","","has coordinates","287130","2023-10-26","22:55:46",""
"7714327","11.4717","0.0013","13.2852","0.0015","22.475","0.003","90","","103.23","0.001","90","","3334.4","0.7","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl2 Cu N5 O9 -","- C34 H31 Cl2 Cu N5 O9 -","- C136 H124 Cl8 Cu4 N20 O36 -","4","1","","Mikata, Yuji; Uchida, Mizuho; Koike, Hinata; Shoji, Sunao; Ohsedo, Yutaka; Kawai, Yasushi; Matsuo, Takashi","Evaluation of oxygen-containing pentadentate ligands with pyridine/quinoline/isoquinoline binding sites via structural and electrochemical properties of mononuclear copper(II) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02814C","","","0.71075","MoKα","","0.0615","0.0572","","","0.1629","0.1697","","","","","","1.081","","","","has coordinates","287130","2023-10-26","22:55:46",""
"7714328","8.67","0.0017","8.78","0.0018","10.557","0.002","91.1","0.03","108.87","0.03","112.65","0.03","692.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 I6 N4 Pb -","- C12 H20 I6 N4 Pb -","- C12 H20 I6 N4 Pb -","1","0.5","","Jung, Mi Hee","Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02041J","","","0.7","synchrotron","","0.0424","0.0422","","","0.1288","0.1289","","","","","","1.418","","","","has coordinates","287161","2023-10-28","22:49:11",""
"7714329","9.492","0.0019","12.889","0.003","25.031","0.005","90","","90","0.03","90","","3062.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H10 I4 N2 Pb0.5 Sn0.5 -","- C6 H10 I4 N2 Pb0.5 Sn0.5 -","- C48 H80 I32 N16 Pb4 Sn4 -","8","2","","Jung, Mi Hee","Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02041J","","","0.7","synchrotron","","0.1403","0.098","","","0.3041","0.3412","","","","","","1.821","","","","has coordinates","287161","2023-10-28","22:49:12",""
"7714330","9.496","0.0019","12.83","0.003","24.979","0.005","90","","90","","90","","3043.3","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H10 I4 N2 Sn -","- C6 H10 I4 N2 Sn -","- C48 H80 I32 N16 Sn8 -","8","1","","Jung, Mi Hee","Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02041J","","","0.7","synchrotron","","0.0491","0.0423","","","0.1285","0.1324","","","","","","1.135","","","","has coordinates","287161","2023-10-28","22:49:12",""
"7714331","16.215","0.003","18.204","0.004","8.763","0.0018","90","","97.13","0.03","90","","2566.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 I7 N4 Pb Sn -","- C7 H10 I7 N4 Pb Sn -","- C28 H40 I28 N16 Pb4 Sn4 -","4","1","","Jung, Mi Hee","Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02041J","","","0.7","synchrotron","","0.2407","0.1271","","","0.3559","0.3969","","","","","","1.652","","","","has coordinates","287161","2023-10-28","22:49:12",""
"7714332","12.0122","0.0003","12.2552","0.0002","12.7554","0.0002","80.399","0.002","69.404","0.002","69.419","0.002","1643.55","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H31 Fe I N5 O8 -","- C35 H31 Fe I N5 O8 -","- C70 H62 Fe2 I2 N10 O16 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0721","0.0667","","","0.1832","0.1874","","","","","","1.058","","","","has coordinates,has disorder","287163","2023-10-29","23:50:00",""
"7714333","11.9974","0.0007","12.4166","0.0006","12.9275","0.0005","79.464","0.004","69.435","0.005","69.693","0.005","1686.91","0.16","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.6 H29.4 Fe I N5 O7.6 -","- C34.6 H29.4 Fe I N5 O7.6 -","- C69.2 H58.8 Fe2 I2 N10 O15.2 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.1282","0.0894","","","0.2582","0.2999","","","","","","1.105","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714334","10.7366","0.0003","12.3118","0.0002","12.7998","0.0003","103.907","0.002","98.433","0.002","96.219","0.002","1606.35","0.07","149.9","0.2","149.9","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C33.8 H26.2 B F4 Fe I N4 O3.8 -","- C33.8 H26.2 B F4 Fe I N4 O3.8 -","- C67.6 H52.4 B2 F8 Fe2 I2 N8 O7.6 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.1029","0.0954","","","0.2776","0.2856","","","","","","1.04","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714335","12.277","0.0004","12.4031","0.0005","12.7647","0.0006","68.856","0.004","86.751","0.003","68.419","0.004","1679.29","0.14","149.9","0.2","149.9","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C34.93 H26.79 F3 Fe I1.07 N4 O6.93 S -","- C34.93 H26.79 F3 Fe I1.07 N4 O6.93 S -","- C69.86 H53.58 F6 Fe2 I2.14 N8 O13.86 S2 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0689","0.065","","","0.1582","0.1602","","","","","","1.105","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714336","12.3329","0.0003","12.3551","0.0002","12.8195","0.0003","79.96","0.002","74.257","0.002","63.718","0.002","1682.41","0.07","151","3","151","3","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 Cl2 F3 Fe N4 O7 S -","- C36 H28 Cl2 F3 Fe N4 O7 S -","- C72 H56 Cl4 F6 Fe2 N8 O14 S2 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0523","0.0493","","","0.1321","0.1347","","","","","","1.086","","","","has coordinates","287163","2023-10-29","23:50:01",""
"7714337","10.7785","0.0003","12.6165","0.0004","13.9032","0.0005","66.07","0.003","74.702","0.003","73.722","0.003","1634.39","0.1","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C34.94 H29.15 Fe I0.81 N5 O5.23 S -","- C34.934 H26.552 Fe I0.816 N5 O3.934 S -","- C69.868 H53.104 Fe2 I1.632 N10 O7.868 S2 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0849","0.0806","","","0.2162","0.2193","","","","","","1.057","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714338","11.9334","0.0002","12.6849","0.0002","13.1443","0.0004","71.125","0.002","86.434","0.002","67.786","0.002","1738.87","0.08","280","0.1","280","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C34.93 H26.79 F3 Fe I1.07 N4 O6.93 S -","- C34.93 H26.79 F3 Fe I1.07 N4 O6.93 S -","- C69.86 H53.58 F6 Fe2 I2.14 N8 O13.86 S2 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0713","0.067","","","0.1819","0.185","","","","","","1.084","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714339","10.8316","0.0005","12.4983","0.0006","12.826","0.0008","104.192","0.005","99.345","0.004","94.337","0.004","1648.87","0.16","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C34.1 H27.4 B F4 Fe I N4 O4.1 -","- C33 H23 B F4 Fe I N4 O3 -","- C66 H46 B2 F8 Fe2 I2 N8 O6 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0903","0.0769","","","0.2366","0.2512","","","","","","1.067","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714340","12.3692","0.0005","12.4482","0.0004","12.9361","0.0005","74.641","0.003","80.008","0.003","63.54","0.004","1715.93","0.13","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 Cl2 F3 Fe N4 O7 S -","- C36 H28 Cl2 F3 Fe N4 O7 S -","- C72 H56 Cl4 F6 Fe2 N8 O14 S2 -","2","1","","Díaz-Torres, Raúl; Gómez-Coca, Silvia; Ruiz, Eliseo; Harding, Phimphaka; Harding, David J.","Improving Spin Crossover Characteristics in Heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02503A","","","1.54184","CuKα","","0.0508","0.0458","","","0.1272","0.131","","","","","","1.063","","","","has coordinates,has disorder","287163","2023-10-29","23:50:01",""
"7714341","18.1455","0.0014","10.9826","0.0008","16.0897","0.0011","90","","90","","90","","3206.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 In N O8 S4 -","- C26 H28 In N O8 S4 -","- C104 H112 In4 N4 O32 S16 -","4","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0682","0.0502","","","0.1173","0.1318","","","","","","1.018","","","","has coordinates","287169","2023-10-30","23:55:11",""
"7714342","15.664","0.002","16.4106","0.0019","21.309","0.002","90","","90","","90","","5477.6","1.1","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C56 H38 Ag In O8 P2 S4 -","- C56 H38 Ag In O8 P2 S4 -","- C224 H152 Ag4 In4 O32 P8 S16 -","4","0.25","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","x-ray","0.71073","MoKα","","0.1421","0.0994","","","0.1783","0.2061","","","","","","1.054","","","","has coordinates,has disorder","287169","2023-10-30","23:55:11",""
"7714343","22.181","0.005","4.3683","0.0009","13.63","0.003","90","","114.289","0.008","90","","1203.8","0.5","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 O4 S2 -","- C11 H8 O4 S2 -","- C44 H32 O16 S8 -","4","0.5","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0882","0.0799","","","0.2327","0.2438","","","","","","1.071","","","","has coordinates","287169","2023-10-30","23:55:11",""
"7714344","11.341","0.003","18.83","0.006","14.472","0.004","90","","98.209","0.014","90","","3058.8","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29.8 In N O8 S4 -","- C26 H28 In N O8 S4 -","- C104 H112 In4 N4 O32 S16 -","4","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0415","0.0361","","","0.0654","0.067","","","","","","1.188","","","","has coordinates,has disorder","287169","2023-10-30","23:55:12",""
"7714345","9.2359","0.0003","11.5628","0.0005","24.6971","0.0009","90","","96.274","0.003","90","","2621.68","0.17","250","0.02","250","0.02","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 In N2 O6 S3 -","- C25 H17 In N2 O6 S3 -","- C100 H68 In4 N8 O24 S12 -","4","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","x-ray","0.71073","MoKα","","0.0523","0.0427","","","0.1041","0.1145","","","","","","1.087","","","","has coordinates,has disorder","287169","2023-10-30","23:55:12",""
"7714346","11.8236","0.0003","16.9993","0.0004","17.193","0.0005","90","","102.291","0.003","90","","3376.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N6 O4 -","- C38 H34 N6 O4 -","- C152 H136 N24 O16 -","4","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0678","0.0463","","","0.1218","0.1349","","","","","","1.064","","","","has coordinates","287169","2023-10-30","23:55:12",""
"7714347","13.864","0.0003","11.0917","0.0003","20.7199","0.0005","90","","110.751","0.003","90","","2979.52","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N3 O4 -","- C16 H11 N3 O3.9998 -","- C128 H88 N24 O31.9984 -","8","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","1.54184","CuKα","","0.0707","0.0576","","","0.1653","0.1783","","","","","","1.07","","","","has coordinates,has disorder","287169","2023-10-30","23:55:12",""
"7714348","6.9681","0.0001","7.3758","0.0001","9.1552","0.0002","107.203","0.002","98.978","0.002","102.864","0.002","425.581","0.015","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 F N2 -","- C10 H5 F N2 -","- C20 H10 F2 N4 -","2","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","1.54184","CuKα","","0.036","0.0343","","","0.0928","0.0945","","","","","","1.075","","","","has coordinates","287169","2023-10-30","23:55:12",""
"7714349","13.3992","0.0004","7.6635","0.0002","16.9248","0.0005","90","","102.516","0.003","90","","1696.62","0.09","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20.92 Cl0.41 In N2 Na0.33 O2 S2.92 -","- C11 H20.92 Cl0.4133 In N2 Na0.33 O2 S2.92 -","- C44 H83.68 Cl1.6532 In4 N8 Na1.32 O8 S11.68 -","4","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0621","0.0515","","","0.1382","0.1482","","","","","","1.093","","","","has coordinates,has disorder","287169","2023-10-30","23:55:12",""
"7714350","10.406","0.003","10.762","0.003","13.307","0.004","112.718","0.008","105.609","0.007","94.128","0.007","1297.7","0.7","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 In N2 O7 S3 -","- C27 H19 In N2 O7 S3 -","- C54 H38 In2 N4 O14 S6 -","2","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0621","0.0515","","","0.1254","0.1346","","","","","","1.031","","","","has coordinates,has disorder","287169","2023-10-30","23:55:12",""
"7714351","5.97318","0.00018","5.97318","0.00018","20.989","0.0006","90","","90","","120","","648.54","0.03","293","","293","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ba H2 O10 V2 Zn3 -","- Ba H2 O10 V2 Zn3 -","- Ba3 H6 O30 V6 Zn9 -","3","0.0833333","","HADRANE, Bachchar; Deniard, Philippe; Gautier, Nicolas; Paris, Michael; Payen, Christophe; Dessapt, Rémi","Micro- and nanostructured layered-kagome zinc orthovanadate BaZn3(VO4)2(OH)2","Dalton Transactions","2023","","","","","10.1039/D3DT03117A","powder diffraction","x-ray","1.54059","CuKα","","0.0346","0.0334","","0.0417","0.0417","","","","1.8146","","","","","","","has coordinates","287183","2023-10-31","23:59:57",""
"7714352","9.922","0.006","15.46","0.01","16.46","0.011","90","","90","","90","","2525","3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H45 O Rh -","- C27 H45 O Rh -","- C108 H180 O4 Rh4 -","4","1","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.1233","0.0655","","","0.1307","0.1594","","","","","","0.957","","","","has coordinates","287184","2023-11-01","00:01:53",""
"7714353","10.1497","0.0003","10.4552","0.0003","12.8567","0.0004","81.754","0.001","74.719","0.001","67.472","0.001","1214.27","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H64 Cl10 O2 Rh2 -","- C38 H64 Cl10 O2 Rh2 -","- C38 H64 Cl10 O2 Rh2 -","1","0.5","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0662","0.0608","","","0.1715","0.1765","","","","","","1.114","","","","has coordinates,has disorder","287184","2023-11-01","00:01:53",""
"7714354","8.6707","0.0002","11.7677","0.0002","12.3696","0.0002","97.357","0.001","95.462","0.001","92.097","0.001","1244.53","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H62 F12 I4 O2 Rh2 -","- C42 H62 F12 I4 O2 Rh2 -","- C42 H62 F12 I4 O2 Rh2 -","1","0.5","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0179","0.0171","","","0.0428","0.0433","","","","","","1.06","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714355","10.2647","0.0003","10.4313","0.0003","12.9342","0.0004","82.315","0.002","73.935","0.002","67.629","0.002","1230.05","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H64 Br4 Cl6 O2 Rh2 -","- C38 H64 Br4 Cl6 O2 Rh2 -","- C38 H64 Br4 Cl6 O2 Rh2 -","1","0.5","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.046","0.04","","","0.0987","0.1017","","","","","","1.042","","","","has coordinates,has disorder","287184","2023-11-01","00:01:54",""
"7714356","11.4548","0.0007","15.301","0.001","28.4594","0.0017","90","","90","","90","","4988.1","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Br2 F6 O Rh -","- C21 H31 Br2 F6 O Rh -","- C168 H248 Br16 F48 O8 Rh8 -","8","1","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0865","0.0705","","","0.1581","0.165","","","","","","1.213","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714357","15.871","0.003","12.1783","0.0017","16.655","0.003","90","","107.52","0.01","90","","3069.8","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Br4 In Rh -","- C26 H42 Br4 In Rh -","- C104 H168 Br16 In4 Rh4 -","4","1","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.2029","0.1583","","","0.3806","0.4089","","","","","","1.084","","","","has coordinates,has disorder","287184","2023-11-01","00:01:54",""
"7714358","14.6789","0.0006","13.2778","0.0006","14.8188","0.0006","90","","103.616","0.001","90","","2807.1","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H43 F6 O Rh -","- C29 H43 F6 O Rh -","- C116 H172 F24 O4 Rh4 -","4","2","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0516","0.0482","","","0.1309","0.1327","","","","","","1.1","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714359","17.0112","0.0004","21.2381","0.0005","14.5656","0.0004","90","","99.918","0.001","90","","5183.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 Cl6 F12 O2 Rh2 -","- C43 H64 Cl6 F12 O2 Rh2 -","- C172 H256 Cl24 F48 O8 Rh8 -","4","1","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0368","0.0294","","","0.0663","0.0702","","","","","","1.065","","","","has coordinates,has disorder","287184","2023-11-01","00:01:54",""
"7714360","18.4463","0.0003","22.9213","0.0004","25.6566","0.0004","90","","90","","90","","10847.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 F3 O Rh -","- C28 H44 F3 O Rh -","- C448 H704 F48 O16 Rh16 -","16","2","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0514","0.0417","","","0.0916","0.0968","","","","","","1.109","","","","has coordinates,has disorder","287184","2023-11-01","00:01:54",""
"7714361","25.3786","0.001","14.1588","0.0006","23.2064","0.0009","90","","90","","90","","8338.8","0.6","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H66 Cl4 O2 Rh2 -","- C38 H66 Cl4 O2 Rh2 -","- C304 H528 Cl32 O16 Rh16 -","8","2","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.084","0.0616","","","0.0947","0.1026","","","","","","1.033","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714362","12.2466","0.0004","12.2933","0.0006","20.4907","0.001","101.362","0.004","91.443","0.003","99.817","0.003","2974.6","0.2","85","2","85","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H58 Cl4 F6 Fe2 N8 O11 S2 -","- C49 H58 Cl4 F6 Fe2 N8 O11 S2 -","- C98 H116 Cl8 F12 Fe4 N16 O22 S4 -","2","1","","Bracken, Abigail J.; Dong, Hai Thanh; Lengel, Michael O.; Lehnert, Nicolai","Exploring Second Coordination Sphere Effects in Flavodiiron Nitric Oxide Reductase Model Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02828C","","","1.54184","CuKα","","0.0808","0.0734","","","0.2015","0.2131","","","","","","1.082","","","","has coordinates","287185","2023-11-01","00:03:14",""
"7714363","25.1428","0.0005","11.3184","0.0001","42.5686","0.0005","90","","99.77","0.002","90","","11938.3","0.3","85","2","85","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C98.5 H128 F18 Fe4 N16 O30.5 S6 -","- C98.5 H128 F18 Fe4 N16 O30.5 S6 -","- C394 H512 F72 Fe16 N64 O122 S24 -","4","1","","Bracken, Abigail J.; Dong, Hai Thanh; Lengel, Michael O.; Lehnert, Nicolai","Exploring Second Coordination Sphere Effects in Flavodiiron Nitric Oxide Reductase Model Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02828C","","","1.54184","CuKα","","0.0973","0.0859","","","0.2388","0.2589","","","","","","1.049","","","","has coordinates,has disorder","287185","2023-11-01","00:03:14",""
"7714364","21.8726","0.0008","16.5014","0.0003","25.3097","0.0007","90","","114.994","0.004","90","","8279.5","0.5","150","0.2","150","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C79 H124 B2 Ge2 Li2 N8 -","- C79 H124 B2 Ge2 Li2 N8 -","- C316 H496 B8 Ge8 Li8 N32 -","4","0.5","","Zheng, Xiongfei; Crumpton, Agamemnon; Ellwanger, Mathias; Aldridge, Simon","A planar per-borylated digermene","Dalton Transactions","2023","","","","","10.1039/D3DT03416J","","x-ray","1.54184","CuKα","","0.0685","0.0469","","","0.1114","0.1248","","","","","","1.018","","","","has coordinates,has disorder","287233","2023-11-02","00:01:43",""
"7714365","16.582","0.0002","11.0899","0.0001","16.7948","0.0002","90","","105.59","0.001","90","","2974.82","0.06","150.01","0.16","150.01","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 B2 N2 O2 -","- C32 H40 B2 N2 O2 -","- C128 H160 B8 N8 O8 -","4","1","","Zheng, Xiongfei; Crumpton, Agamemnon; Ellwanger, Mathias; Aldridge, Simon","A planar per-borylated digermene","Dalton Transactions","2023","","","","","10.1039/D3DT03416J","","x-ray","1.54184","CuKα","","0.0453","0.0408","","","0.1062","0.1105","","","","","","1.038","","","","has coordinates","287233","2023-11-02","00:01:44",""
"7714366","11.9393","0.0002","22.4852","0.0002","36.1463","0.0005","99.144","0.001","94.358","0.001","92.428","0.001","9538.1","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 B4 Ge2 N4 O4 -","- C64 H80 B4 Ge2 N4 O4 -","- C384 H480 B24 Ge12 N24 O24 -","6","3","","Zheng, Xiongfei; Crumpton, Agamemnon; Ellwanger, Mathias; Aldridge, Simon","A planar per-borylated digermene","Dalton Transactions","2023","","","","","10.1039/D3DT03416J","","x-ray","1.54184","CuKα","","0.063","0.0477","","","0.1169","0.1261","","","","","","1.055","","","","has coordinates","287233","2023-11-02","00:01:44",""
"7714367","22.975","0.003","10.1639","0.0012","12.9843","0.0016","90","","103.548","0.002","90","","2947.7","0.6","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 Co2 N4 O9 -","- C11 H12 Co2 N4 O9 -","- C88 H96 Co16 N32 O72 -","8","1","","Ding, Bo; Liu, Zhong-Yi; Gong, Xin-JIng; Tang, Hui-Min; Wang, Xiu-Guang; Liu, Zheng-Yu; Dong, Hui-Ming; Liu, Jing; Yang, En-Cui","Interlayer interaction force-tuned magnetic responses in CoII-tetrazolate-carboxylate system from canted antiferromagnet to field-induced metamagnet","Dalton Transactions","2023","","","","","10.1039/D3DT02851H","","","0.71073","MoKα","","0.0369","0.0333","","","0.0794","0.081","","","","","","1.114","","","","has coordinates,has disorder","287234","2023-11-02","00:02:31",""
"7714368","11.0584","0.0013","6.5961","0.0007","16.3424","0.0018","90","","90","","90","","1192.1","0.2","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H6 Co2 N6 O5 -","- C8 H6 Co2 N6 O5 -","- C32 H24 Co8 N24 O20 -","4","0.5","","Ding, Bo; Liu, Zhong-Yi; Gong, Xin-JIng; Tang, Hui-Min; Wang, Xiu-Guang; Liu, Zheng-Yu; Dong, Hui-Ming; Liu, Jing; Yang, En-Cui","Interlayer interaction force-tuned magnetic responses in CoII-tetrazolate-carboxylate system from canted antiferromagnet to field-induced metamagnet","Dalton Transactions","2023","","","","","10.1039/D3DT02851H","","","0.71073","MoKα","","0.0333","0.0287","","","0.063","0.0661","","","","","","1.102","","","","has coordinates","287234","2023-11-02","00:02:41",""
"7714369","16.9676","0.0008","10.9596","0.0005","7.4548","0.0003","90","","95.478","0.002","90","","1379.95","0.11","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O6 Se2 Zn -","- C10 H10 N2 O6 Se2 Zn -","- C40 H40 N8 O24 Se8 Zn4 -","4","0.5","","Lunardi, Andressa; Bortolotto, Tanize; Nunes Cechin, Camila; Daudt, Natália de Freitas; Mello, Melina de Azevedo; Dos Santos, Sailer S.; Cargnelutti, Roberta; Lang, Ernesto Schulz; Tirloni, Bárbara","Novel organically linked Zn<sup>II</sup> hydrogenselenite coordination polymers: synthesis, characterization, and efficient TiO<sub>2</sub> photosensitization for enhanced photocatalytic hydrogen production.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03094f","","","0.71073","MoKα","","0.0773","0.0412","","","0.0647","0.0727","","","","","","1.046","","","","has coordinates","287235","2023-11-02","00:03:15",""
"7714370","7.4196","0.0006","9.7542","0.0009","11.1087","0.001","71.238","0.003","88.646","0.003","87.737","0.003","760.6","0.12","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 O12 Se4 Zn2 -","- C24 H20 N4 O12 Se4 Zn2 -","- C24 H20 N4 O12 Se4 Zn2 -","1","0.5","","Lunardi, Andressa; Bortolotto, Tanize; Nunes Cechin, Camila; Daudt, Natália de Freitas; Mello, Melina de Azevedo; Dos Santos, Sailer S.; Cargnelutti, Roberta; Lang, Ernesto Schulz; Tirloni, Bárbara","Novel organically linked Zn<sup>II</sup> hydrogenselenite coordination polymers: synthesis, characterization, and efficient TiO<sub>2</sub> photosensitization for enhanced photocatalytic hydrogen production.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03094f","","","0.71073","MoKα","","0.1021","0.0556","","","0.1402","0.1556","","","","","","1.09","","","","has coordinates","287235","2023-11-02","00:03:16",""
"7714373","6.883","0.0018","9.131","0.003","12.186","0.003","101.122","0.004","103.119","0.005","106.744","0.004","686.3","0.3","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu N18 O2 -","- C6 H8 Cu N18 O2 -","- C12 H16 Cu2 N36 O4 -","2","1","","Li, Shuting; Li, Min; Han, Jinxi; Xia, Zhengqiang; Chen, Sanping; Xie, Gang; Gao, Sheng-Li; Lu, Jack; Yang, Qi","In situ growth of copper-based energetic complexes on GO and MXene to synergistically promote the thermal decomposition of ammonium perchlorate","Dalton Transactions","2023","","","","","10.1039/D3DT02686H","","","0.71073","MoKα","","0.0703","0.0459","","","0.0967","0.1057","","","","","","1.027","","","","has coordinates","287263","2023-11-05","00:04:34",""
"7714374","6.3422","0.0011","7.9744","0.0013","13.452","0.002","73.36","0.008","84.082","0.009","75.297","0.008","630.16","0.18","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu3 N36 O2 -","- C12 H10 Cu3 N36 O2 -","- C12 H10 Cu3 N36 O2 -","1","0.5","","Li, Shuting; Li, Min; Han, Jinxi; Xia, Zhengqiang; Chen, Sanping; Xie, Gang; Gao, Sheng-Li; Lu, Jack; Yang, Qi","In situ growth of copper-based energetic complexes on GO and MXene to synergistically promote the thermal decomposition of ammonium perchlorate","Dalton Transactions","2023","","","","","10.1039/D3DT02686H","","","0.71073","MoKα","","0.0983","0.0532","","","0.1217","0.1447","","","","","","1.012","","","","has coordinates","287263","2023-11-05","00:04:45",""
"7714375","14.4253","0.0003","14.5947","0.0003","25.4953","0.0005","90","","100.006","0.002","90","","5285.96","0.19","150","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.95 H23 Cl Co N5.03 O6 -","- C26.9515 H23 Cl Co N5.0295 O6 -","- C215.612 H184 Cl8 Co8 N40.236 O48 -","8","2","","Mandal, Apurba; Rai, Rohit; Saha, Sukanta; Kushwaha, Rajesh; Li , Wei; Gogoi, Hemonta; Mandal, Arif Ali; Yadav, Ashish Kumar; Huang, Huaiyi; Dutta, Arnab; Dhar, Prodyut; Banerjee, Samya","Polypyridyl-based Co(III) Complexes of Vitamin B6 Schiff base for Photoactivated Antibacterial Therapy","Dalton Transactions","2023","","","","","10.1039/D3DT02967K","","","0.71073","MoKα","","0.1221","0.1027","","","0.2444","0.2592","","","","","","1.055","","","","has coordinates,has disorder","287264","2023-11-05","00:07:14",""
"7714376","21.4901","0.0004","15.8579","0.0003","21.6752","0.0004","90","","97.004","0.002","90","","7331.5","0.2","150","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H31.5 Co F6 N5 O4.5 P -","- C36 H29.5 Co F6 N5 O3.5 P -","- C288 H236 Co8 F48 N40 O28 P8 -","8","2","","Mandal, Apurba; Rai, Rohit; Saha, Sukanta; Kushwaha, Rajesh; Li , Wei; Gogoi, Hemonta; Mandal, Arif Ali; Yadav, Ashish Kumar; Huang, Huaiyi; Dutta, Arnab; Dhar, Prodyut; Banerjee, Samya","Polypyridyl-based Co(III) Complexes of Vitamin B6 Schiff base for Photoactivated Antibacterial Therapy","Dalton Transactions","2023","","","","","10.1039/D3DT02967K","","","0.71073","MoKα","","0.0643","0.0522","","","0.1383","0.1487","","","","","","1.039","","","","has coordinates,has disorder","287264","2023-11-05","00:07:54",""
"7714377","14.9257","0.0011","25.67","0.002","9.3216","0.0007","90","","121.295","0.002","90","","3051.9","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H27 Cl Co N5 O6 -","- C36 H27 Cl Co N5 O6 -","- C144 H108 Cl4 Co4 N20 O24 -","4","1","","Mandal, Apurba; Rai, Rohit; Saha, Sukanta; Kushwaha, Rajesh; Li , Wei; Gogoi, Hemonta; Mandal, Arif Ali; Yadav, Ashish Kumar; Huang, Huaiyi; Dutta, Arnab; Dhar, Prodyut; Banerjee, Samya","Polypyridyl-based Co(III) Complexes of Vitamin B6 Schiff base for Photoactivated Antibacterial Therapy","Dalton Transactions","2023","","","","","10.1039/D3DT02967K","","","0.71073","MoKα","","0.0448","0.043","","","0.0976","0.0995","","","","","","1.0418","","","","has coordinates","287264","2023-11-05","00:07:56",""
"7714378","8.8503","0.00009","26.9786","0.0002","9.14388","0.00009","90","","118.799","0.0014","90","","1913.24","0.04","120","1","120","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B11 Cl11 Se -","- B11 Cl11 Se -","- B44 Cl44 Se4 -","4","2","","Keller, Willi; Hofmann, Matthias; Wadepohl, Hubert; Enders, Markus; Fanfrlík, Jindřich; Hnyk, Drahomír","Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of <i>closo</i>-1-SeB<sub>9</sub>Cl<sub>9</sub> and the crystal structure of <i>closo</i>-SeB<sub>11</sub>Cl<sub>11</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02987e","","x-ray","0.71073","MoKα","","0.0203","0.019","","","0.0384","0.0387","","","","","","1.085","","","","has coordinates","287265","2023-11-05","00:08:55",""
"7714379","14.7196","0.0005","14.9845","0.0005","15.0801","0.0005","106.42","0.002","110.555","0.002","110.926","0.002","2572.9","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H66 Cl4 Fe2 N8 O13 -","- C44 H66 Cl4 Fe2 N8 O13 -","- C88 H132 Cl8 Fe4 N16 O26 -","2","1","","Finke, Sebastian; Stammler, Anja; Oldengott, Jan; Walleck, Stephan; Glaser, Thorsten","Direct and Remote Control on Electronic Structures and Redox Potentials in μ-Oxo Diferric Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02734A","","x-ray","1.54178","CuKα","","0.0578","0.0419","","","0.0964","0.1038","","","","","","1.021","","","","has coordinates,has disorder","287266","2023-11-05","00:10:47",""
"7714380","25.2522","0.0009","15.5311","0.0005","16.9805","0.0005","90","","118.761","0.001","90","","5838.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 Cl2 Fe2 N8 O17 -","- C50 H84 Cl2 Fe2 N8 O17 -","- C200 H336 Cl8 Fe8 N32 O68 -","4","0.5","","Finke, Sebastian; Stammler, Anja; Oldengott, Jan; Walleck, Stephan; Glaser, Thorsten","Direct and Remote Control on Electronic Structures and Redox Potentials in μ-Oxo Diferric Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02734A","","x-ray","1.54178","CuKα","","0.0298","0.0293","","","0.0801","0.0806","","","","","","1.033","","","","has coordinates,has disorder","287266","2023-11-05","00:10:56",""
"7714381","11.7251","0.0004","13.1324","0.0005","20.1201","0.0007","80.277","0.002","77.367","0.002","87.802","0.002","2979.64","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H75 Cl3 Fe2 N10 O19 -","- C46 H69 Cl3 Fe2 N8 O19 -","- C92 H138 Cl6 Fe4 N16 O38 -","2","1","","Finke, Sebastian; Stammler, Anja; Oldengott, Jan; Walleck, Stephan; Glaser, Thorsten","Direct and Remote Control on Electronic Structures and Redox Potentials in μ-Oxo Diferric Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02734A","","x-ray","1.54178","CuKα","","0.0502","0.0485","","","0.1324","0.134","","","","","","1.03","","","","has coordinates,has disorder","287266","2023-11-05","00:11:01",""
"7714382","13.2834","0.0007","15.3781","0.0006","28.2323","0.0014","90","","102.469","0.002","90","","5631.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.8 H75.6 Cl2 Fe2 N8 O17 -","- C48.814 H75.628 Cl2 Fe2 N8 O17 -","- C195.256 H302.512 Cl8 Fe8 N32 O68 -","4","1","","Finke, Sebastian; Stammler, Anja; Oldengott, Jan; Walleck, Stephan; Glaser, Thorsten","Direct and Remote Control on Electronic Structures and Redox Potentials in μ-Oxo Diferric Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02734A","","x-ray","1.54178","CuKα","","0.0383","0.0333","","","0.0839","0.087","","","","","","1.021","","","","has coordinates,has disorder","287266","2023-11-05","00:11:06",""
"7714383","19.5346","0.0008","13.2801","0.0006","22.9179","0.0011","90","","103.358","0.002","90","","5784.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H75 Cl2 Fe2 N9 O17 -","- C50 H75 Cl2 Fe2 N9 O17 -","- C200 H300 Cl8 Fe8 N36 O68 -","4","1","","Finke, Sebastian; Stammler, Anja; Oldengott, Jan; Walleck, Stephan; Glaser, Thorsten","Direct and Remote Control on Electronic Structures and Redox Potentials in μ-Oxo Diferric Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02734A","","x-ray","0.71073","MoKα","","0.0605","0.0373","","","0.089","0.1001","","","","","","1.026","","","","has coordinates,has disorder","287266","2023-11-05","00:11:07",""
"7714384","7.898","0.003","8.106","0.003","10.452","0.004","96.572","0.016","91.809","0.015","112.382","0.014","612.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl6 N8 O4 Tc -","- C16 H22 Cl6 N8 O4 Tc -","- C16 H22 Cl6 N8 O4 Tc -","1","0.5","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.0951","0.0585","","","0.1237","0.1417","","","","","","0.969","","","","has coordinates","287267","2023-11-05","00:13:23",""
"7714385","7.2136","0.0005","8.0612","0.0006","9.8742","0.0007","98.062","0.003","100.83","0.003","92.071","0.003","557.23","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 Cl6 N2 O2 S2 Tc -","- C14 H16 Cl6 N2 O2 S2 Tc -","- C14 H16 Cl6 N2 O2 S2 Tc -","1","0.5","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.0519","0.0364","","","0.076","0.0827","","","","","","1.02","","","","has coordinates","287267","2023-11-05","00:13:32",""
"7714386","8.8583","0.0007","10.434","0.0008","9.6725","0.0008","90","","92.915","0.003","90","","892.85","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl6 N2 Tc -","- C8 H24 Cl6 N2 Tc -","- C16 H48 Cl12 N4 Tc2 -","2","0.5","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.0321","0.0231","","","0.045","0.0485","","","","","","1.038","","","","has coordinates","287267","2023-11-05","00:13:35",""
"7714387","9.1485","0.0005","10.7497","0.0006","9.9767","0.0005","90","","92.386","0.002","90","","980.29","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Br6 N2 Tc -","- C8 H24 Br6 N2 Tc -","- C16 H48 Br12 N4 Tc2 -","2","0.5","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.0305","0.0218","","","0.0406","0.0425","","","","","","1.006","","","","has coordinates","287267","2023-11-05","00:13:36",""
"7714388","8.31","0.0011","10.8013","0.0015","11.8992","0.0016","90","","101.549","0.006","90","","1046.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br6 N4 O2 Tc -","- C12 H14 Br6 N4 O2 Tc -","- C24 H28 Br12 N8 O4 Tc2 -","2","0.5","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.1057","0.0454","","","0.0649","0.0792","","","","","","0.997","","","","has coordinates","287267","2023-11-05","00:13:36",""
"7714389","7.1584","0.0004","9.3884","0.0005","15.4846","0.0008","76.369","0.002","79.704","0.002","81.477","0.002","988.92","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cl8 N4 O4 S4 Tc -","- C28 H32 Cl8 N4 O4 S4 Tc -","- C28 H32 Cl8 N4 O4 S4 Tc -","1","0.5","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.0291","0.023","","","0.0493","0.0516","","","","","","1.037","","","","has coordinates","287267","2023-11-05","00:13:37",""
"7714390","13.428","0.002","14.292","0.003","15.242","0.003","90","","106.823","0.007","90","","2800","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br6 N8 O5 Tc -","- C16 H24 Br6 N8 O5 Tc -","- C64 H96 Br24 N32 O20 Tc4 -","4","1","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.1664","0.061","","","0.1058","0.138","","","","","","0.986","","","","has coordinates","287267","2023-11-05","00:13:41",""
"7714391","28.5623","0.0009","12.8616","0.0004","22.0923","0.0007","90","","108.191","0.001","90","","7710.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl20 N24 O3 Tc2 -","- C48 H66 Cl20 N24 O3 Tc2 -","- C192 H264 Cl80 N96 O12 Tc8 -","4","1","","Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail","Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions","Dalton Transactions","2023","","","","","10.1039/D3DT03235C","","","0.71073","MoKα","","0.0643","0.0358","","","0.064","0.0735","","","","","","1.02","","","","has coordinates","287267","2023-11-05","00:13:42",""
"7714392","4.9316","0.0002","12.4514","0.0005","20.7391","0.0009","90","","90","","90","","1273.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methylsalicylaldehyde 2-furoyl hydrazone","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Moura, Fagner da Silva; Sobrinho, Ygor S.; Stellet, Carolina; Serna, Jilder D. P.; Ligiero, Carolina B. P.; Yoguim, Maurício I; Cukierman, Daphne S.; Diniz, Renata; Alves, Odivaldo C.; Morgon, Nelson H.; de Souza, Aguinaldo R.; Rey, Nicolás A","Copper(II) complexes of a furan-containing aroylhydrazonic ligand: syntheses, structural studies, solution chemistry and interaction with HSA.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02597g","","","0.71073","MoKα","","0.0517","0.0384","","","0.098","0.1127","","","","","","1.202","","","","has coordinates,has disorder","287268","2023-11-05","00:15:11",""
"7714393","6.2379","0.0005","14.5843","0.001","17.5885","0.0011","90","","94.394","0.002","90","","1595.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{mu-[N-{[2-(hydroxy)-5-methylphenyl]methylidene}furan-2-carbohydrazonato]}-bis(propan-2-ol)-di-copper","","- C32 H36 Cu2 N4 O8 -","- C32 H36 Cu2 N4 O8 -","- C64 H72 Cu4 N8 O16 -","2","0.5","","Moura, Fagner da Silva; Sobrinho, Ygor S.; Stellet, Carolina; Serna, Jilder D. P.; Ligiero, Carolina B. P.; Yoguim, Maurício I; Cukierman, Daphne S.; Diniz, Renata; Alves, Odivaldo C.; Morgon, Nelson H.; de Souza, Aguinaldo R.; Rey, Nicolás A","Copper(II) complexes of a furan-containing aroylhydrazonic ligand: syntheses, structural studies, solution chemistry and interaction with HSA.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02597g","","","0.71073","MoKα","","0.0899","0.0521","","","0.1308","0.1747","","","","","","1.205","","","","has coordinates","287268","2023-11-05","00:15:25",""
"7714394","12.674","0.0004","6.9206","0.0002","16.1553","0.0005","90","","91.109","0.003","90","","1416.74","0.07","299.4","0.3","296","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl Cu N2 O4 -","- C13 H13 Cl Cu N2 O4 -","- C52 H52 Cl4 Cu4 N8 O16 -","4","1","","Moura, Fagner da Silva; Sobrinho, Ygor S.; Stellet, Carolina; Serna, Jilder D. P.; Ligiero, Carolina B. P.; Yoguim, Maurício I; Cukierman, Daphne S.; Diniz, Renata; Alves, Odivaldo C.; Morgon, Nelson H.; de Souza, Aguinaldo R.; Rey, Nicolás A","Copper(II) complexes of a furan-containing aroylhydrazonic ligand: syntheses, structural studies, solution chemistry and interaction with HSA.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02597g","","x-ray","0.71073","MoKα","","0.0566","0.0348","","","0.0808","0.0877","","","","","","1.035","","","","has coordinates","287268","2023-11-05","00:15:28",""
"7714395","11.05","0.004","8.508","0.002","13.565","0.005","90","","96.22","0.03","90","","1267.8","0.7","210","","210","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H46 N8 V2 -","- C22 H46 N8 V2 -","- C44 H92 N16 V4 -","2","0.5","","Reiß, Andreas; Reimann, Maximilian Kai; Jin, Chengyu; Wachter-Lehn, Martha; Kremer, Reinhard; Pöttgen, Rainer; Fink, Karin; Klopper, Wim; Feldmann, Claus","Experimental and Computational Study of the Exchange Interaction between the V(III) Centers in the Vanadium-Cyclal Dimer","Dalton Transactions","2023","","","","","10.1039/D3DT03243D","","","0.71073","MoKα","","0.066","0.0611","","","0.1659","0.1721","","","","","","1.072","","","","has coordinates,has disorder","287269","2023-11-05","00:16:18",""
"7714396","11.8703","0.0008","11.8756","0.0009","15.4895","0.0007","102.276","0.005","107.969","0.005","100.557","0.006","1955.4","0.2","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H49 Dy3 N8 O21 -","- C23 H49 Dy3 N8 O21 -","- C46 H98 Dy6 N16 O42 -","2","1","","Feng, Lixi; Yang, Yue; Wang, Yu-Xia; Zhao, Yizhen; Liu, Zhong-Yi; Cong, Junzhuang; Zhang, Yi-Quan; Cheng, Peng","Reversible single-crystal to single-crystal transformation between triangular single-molecule toroics","Dalton Transactions","2023","","","","","10.1039/D3DT03191H","","x-ray","0.71073","MoKα","","0.0753","0.0694","","","0.1546","0.1575","","","","","","1.121","","","","has coordinates","287270","2023-11-05","00:17:09",""
"7714397","13.8579","0.0005","5.8109","0.0002","6.9442","0.0003","90","","90.357","0.002","90","","559.18","0.04","301","","301","","","","","","","","","4","C 1 2/m 1","-C 2y","12","potassium fluoridooxidomolybdate","potassium fluoridooxidomolybdate","","- F4 K2 Mo O2 -","- F4 K2 Mo O2 -","- F16 K8 Mo4 O8 -","4","0.5","","Zimmerhofer, Fabian; Huppertz, Hubert","A New High-Pressure Polymorph of K2MoO2F4","Dalton Transactions","2023","","","","","10.1039/D3DT02992A","","","0.71073","MoKα","","0.0368","0.0345","","","0.0839","0.0868","","","","","","1.098","","","","has coordinates","287446","2023-11-06","23:56:29",""
"7714398","17.0516","0.0002","17.0082","0.0003","26.0697","0.0004","90","","97.065","0.001","90","","7503.3","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Macrocycle","","- C71 H72 B4 F16 O10 Te4 -","- C71 H72 B4 F16 O10 Te4 -","- C284 H288 B16 F64 O40 Te16 -","4","1","","Narsimhulu, Gujju; Samuel, Calvin; Sathish, Palani; Dasari, Sai Hemanth Kumar; Krishnamoorthy, Kothandam; Viswanathan, Baskar","Electrocatalytic Hydrogen Evolution Mediated by an Organotelluroxane Macrocycle Stabilized through Secondary Interactions","Dalton Transactions","2023","","","","","10.1039/D3DT02746E","","x-ray","0.71073","MoKα","","0.0741","0.0594","","","0.1427","0.1499","","","","","","1.039","","","","has coordinates","287448","2023-11-06","23:57:29",""
"7714399","10.2455","0.0002","10.5162","0.0002","10.9829","0.0002","110.245","0.002","97.955","0.001","104.283","0.001","1042.82","0.04","106","9","106","9","","","","","","","","6","P -1","-P 1","2","","tris(p-methoxyphenyl)Telluronium tetraflouroborate","","- C21 H21 B F4 O3 Te -","- C21 H21 B F4 O3 Te -","- C42 H42 B2 F8 O6 Te2 -","2","1","","Narsimhulu, Gujju; Samuel, Calvin; Sathish, Palani; Dasari, Sai Hemanth Kumar; Krishnamoorthy, Kothandam; Viswanathan, Baskar","Electrocatalytic Hydrogen Evolution Mediated by an Organotelluroxane Macrocycle Stabilized through Secondary Interactions","Dalton Transactions","2023","","","","","10.1039/D3DT02746E","","x-ray","0.71073","MoKα","","0.0294","0.0267","","","0.0595","0.061","","","","","","1.05","","","","has coordinates","287448","2023-11-06","23:57:30",""
"7714400","10.3196","0.0004","10.7682","0.0005","11.1672","0.0005","111.398","0.001","96.827","0.001","104.125","0.001","1090.36","0.08","285","","284.87","","","","","","","","","5","P -1","-P 1","2","","symmetric tellurium tetraflouroborate","","- C21 H21 Cl O7 Te -","- C21 H21 Cl O7 Te -","- C42 H42 Cl2 O14 Te2 -","2","1","","Narsimhulu, Gujju; Samuel, Calvin; Sathish, Palani; Dasari, Sai Hemanth Kumar; Krishnamoorthy, Kothandam; Viswanathan, Baskar","Electrocatalytic Hydrogen Evolution Mediated by an Organotelluroxane Macrocycle Stabilized through Secondary Interactions","Dalton Transactions","2023","","","","","10.1039/D3DT02746E","","","0.71073","MoKα","","0.0281","0.0223","","","0.055","0.0574","","","","","","1.043","","","","has coordinates","287448","2023-11-06","23:57:30",""
"7714401","17.142","0.0001","17.2042","0.0001","26.0805","0.0002","90","","97.419","0.001","90","","7627.12","0.09","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","perchlorate macrocycle","","- C71 H71 Cl4 O26 Te4 -","- C71 H71 Cl4 O26 Te4 -","- C284 H284 Cl16 O104 Te16 -","4","1","","Narsimhulu, Gujju; Samuel, Calvin; Sathish, Palani; Dasari, Sai Hemanth Kumar; Krishnamoorthy, Kothandam; Viswanathan, Baskar","Electrocatalytic Hydrogen Evolution Mediated by an Organotelluroxane Macrocycle Stabilized through Secondary Interactions","Dalton Transactions","2023","","","","","10.1039/D3DT02746E","","x-ray","0.71073","MoKα","","0.0266","0.0246","","","0.0521","0.0528","","","","","","1.143","","","","has coordinates","287448","2023-11-06","23:57:30",""
"7714402","17.509","0.005","17.346","0.005","29.415","0.008","90","","103.15","0.007","90","","8699","4","153","2","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 Cr2 N2 O8 -","- C66 H104 Cr2 N2 O8 -","- C264 H416 Cr8 N8 O32 -","4","1","","Ni, Kaijie; Dawe, Louise N.; Sarjeant, Amy; Kozak, Christopher M.","Controlled Synthesis of Polycarbonate Diols and Their Polylactide Block Copolymers using Amino-bis(phenolate) Chromium Hydroxide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03168C","","","0.71073","MoKα","","0.1686","0.1105","","","0.3459","0.3753","","","","","","1.16","","","","has coordinates,has disorder","287449","2023-11-06","23:58:08",""
"7714403","10.1004","0.0005","23.8644","0.0013","12.1714","0.0006","90","","100.722","0.002","90","","2882.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Ir N2 O2 -","- C32 H25 Ir N2 O2 -","- C128 H100 Ir4 N8 O8 -","4","1","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0521","0.0363","","","0.0815","0.0875","","","","","","1.04","","","","has coordinates","287477","2023-11-08","00:01:01",""
"7714404","11.4446","0.0006","11.7077","0.0006","13.0847","0.0007","71.158","0.002","75.027","0.002","67.214","0.002","1511.82","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F3 Ir N2 O2 -","- C32 H22 F3 Ir N2 O2 -","- C64 H44 F6 Ir2 N4 O4 -","2","1","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0386","0.0342","","","0.0821","0.0839","","","","","","1.054","","","","has coordinates,has disorder","287477","2023-11-08","00:01:02",""
"7714405","12.7993","0.0008","17.6551","0.001","16.4434","0.001","90","","108.775","0.002","90","","3518","0.4","100","2","100.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H32 Cl2 N4 Rh2 -","- C44 H32 Cl2 N4 Rh2 -","- C176 H128 Cl8 N16 Rh8 -","4","2","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0986","0.0765","","","0.21","0.2214","","","","","","1.373","","","","has coordinates","287477","2023-11-08","00:01:02",""
"7714406","10.5699","0.0002","11.7403","0.0002","12.2502","0.0002","92.261","0.001","93.16","0.001","104.388","0.001","1468.03","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H28 Cl N2 O2 Rh -","- C37.5 H28 Cl N2 O2 Rh -","- C75 H56 Cl2 N4 O4 Rh2 -","2","1","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0342","0.0307","","","0.0718","0.0736","","","","","","1.04","","","","has coordinates","287477","2023-11-08","00:01:02",""
"7714407","11.4135","0.0004","11.8344","0.0004","13.4479","0.0005","70.765","0.001","72.252","0.001","67.152","0.001","1547.45","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F3 N2 O2 Rh -","- C32 H22 F3 N2 O2 Rh -","- C64 H44 F6 N4 O4 Rh2 -","2","1","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0588","0.0492","","","0.1218","0.1273","","","","","","1.034","","","","has coordinates,has disorder","287477","2023-11-08","00:01:02",""
"7714408","15.3589","0.0012","20.2331","0.0016","17.6076","0.0015","90","","113.797","0.002","90","","5006.5","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F3 Ir N2 O2 S -","- C30 H20 F3 Ir N2 O2 S -","- C240 H160 F24 Ir8 N16 O16 S8 -","8","2","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0669","0.036","","","0.0655","0.0753","","","","","","1.007","","","","has coordinates,has disorder","287477","2023-11-08","00:01:03",""
"7714409","10.0427","0.0011","23.901","0.002","12.1579","0.0012","90","","100.002","0.004","90","","2873.9","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N2 O2 Rh -","- C32 H25 N2 O2 Rh -","- C128 H100 N8 O8 Rh4 -","4","1","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0964","0.06","","","0.134","0.1479","","","","","","1.029","","","","has coordinates,has disorder","287477","2023-11-08","00:01:03",""
"7714410","13.4265","0.0012","13.9065","0.0011","24.163","0.0018","90","","95.936","0.003","90","","4487.4","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Cl2 N4 Rh2 -","- C44 H32 Cl2 N4 Rh2 -","- C176 H128 Cl8 N16 Rh8 -","4","1","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0746","0.0552","","","0.1394","0.1503","","","","","","1.026","","","","has coordinates,has disorder","287477","2023-11-08","00:01:03",""
"7714411","15.4022","0.0005","20.3286","0.0006","17.4956","0.0006","90","","112.999","0.001","90","","5042.5","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F3 N2 O2 Rh S -","- C30 H20 F3 N2 O2 Rh S -","- C240 H160 F24 N16 O16 Rh8 S8 -","8","2","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0515","0.0378","","","0.0807","0.0861","","","","","","1.019","","","","has coordinates,has disorder","287477","2023-11-08","00:01:03",""
"7714412","26.672","0.005","26.672","0.005","13.683","0.003","90","","90","","120","","8430","3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C30 H26 N6 O5 Zn -","- C30 H26 N6 O5 Zn -","- C180 H156 N36 O30 Zn6 -","6","1","","Zhong, Minli; Xia, Siyao; Liu, Sanmei; Jin, Caiju; Deng, Shengjun; Xiao, Weiming; Ding, Shunmin; Chen, Chao","Two Novel Nitrogen-rich Metal-organic Nanotubes: Syntheses, Structures and Selective Adsorption toward Rare Earth","Dalton Transactions","2023","","","","","10.1039/D3DT02606J","","","0.71073","MoKα","","0.1325","0.0786","","","0.2153","0.2725","","","","","","1.053","","","","has coordinates,has disorder","287478","2023-11-08","00:02:12",""
"7714413","26.7528","0.0012","26.7528","0.0012","13.4196","0.0012","90","","90","","120","","8317.8","0.9","100","2","100.15","","","","","","","","","5","P -3","-P 3","147","","","","- C29 H26 N6 O5 Zn -","- C29 H26 N6 O5 Zn -","- C174 H156 N36 O30 Zn6 -","6","1","","Zhong, Minli; Xia, Siyao; Liu, Sanmei; Jin, Caiju; Deng, Shengjun; Xiao, Weiming; Ding, Shunmin; Chen, Chao","Two Novel Nitrogen-rich Metal-organic Nanotubes: Syntheses, Structures and Selective Adsorption toward Rare Earth","Dalton Transactions","2023","","","","","10.1039/D3DT02606J","","","0.71073","MoKα","","0.086","0.0567","","","0.1775","0.2004","","","","","","1.041","","","","has coordinates,has disorder","287478","2023-11-08","00:02:13",""
"7714414","9.7938","0.0005","11.0121","0.0007","11.4745","0.0007","90","","104.533","0.002","90","","1197.93","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","","Ali, Wajid; Jamshidi-Adegani, Fatemeh; Mirsanei, Zahra; Al-Kindi, Juhaina; Vakilian, Saeid; Al-Broumi, Mohammed; Al-Hashmi, Sulaiman; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad Usman","Lanthanide complexes facilitate wound healing by promoting fibroblast viability, migration and M2 macrophage polarization.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","65","73","10.1039/d3dt02662k","","x-ray","0.71073","MoKα","","0.0483","0.0409","","","0.1018","0.1109","","","","","","1.032","","","","has coordinates","289471","2024-02-04","11:46:50",""
"7714415","11.3839","0.0004","12.0588","0.0006","14.4588","0.0007","85.417","0.002","75.454","0.002","74.695","0.002","1852.89","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H72 Eu4 N18 O26 -","- C68 H72 Eu4 N18 O26 -","- C68 H72 Eu4 N18 O26 -","1","0.5","","Ali, Wajid; Jamshidi-Adegani, Fatemeh; Mirsanei, Zahra; Al-Kindi, Juhaina; Vakilian, Saeid; Al-Broumi, Mohammed; Al-Hashmi, Sulaiman; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad Usman","Lanthanide complexes facilitate wound healing by promoting fibroblast viability, migration and M2 macrophage polarization.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","65","73","10.1039/d3dt02662k","","x-ray","0.71073","MoKα","","0.0789","0.061","","","0.1601","0.1955","","","","","","0.956","","","","has coordinates","289471","2024-02-04","11:46:51",""
"7714416","11.393","0.002","12.08","0.002","14.473","0.003","85.37","0.03","75.48","0.03","74.49","0.03","1857.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N18 O26 Sm4 -","- C68 H74 N18 O26 Sm4 -","- C68 H74 N18 O26 Sm4 -","1","0.5","","Ali, Wajid; Jamshidi-Adegani, Fatemeh; Mirsanei, Zahra; Al-Kindi, Juhaina; Vakilian, Saeid; Al-Broumi, Mohammed; Al-Hashmi, Sulaiman; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad Usman","Lanthanide complexes facilitate wound healing by promoting fibroblast viability, migration and M2 macrophage polarization.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","65","73","10.1039/d3dt02662k","","","0.71073","MoKα","","0.0739","0.047","","","0.099","0.1261","","","","","","1.088","","","","has coordinates","289471","2024-02-04","11:46:51",""
"7714417","11.3514","0.0004","12.0481","0.0005","14.3157","0.0005","85.452","0.002","75.048","0.001","75.516","0.002","1831.22","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 Er4 N18 O26 -","- C68 H74 Er4 N18 O26 -","- C68 H74 Er4 N18 O26 -","1","0.5","","Ali, Wajid; Jamshidi-Adegani, Fatemeh; Mirsanei, Zahra; Al-Kindi, Juhaina; Vakilian, Saeid; Al-Broumi, Mohammed; Al-Hashmi, Sulaiman; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad Usman","Lanthanide complexes facilitate wound healing by promoting fibroblast viability, migration and M2 macrophage polarization.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","65","73","10.1039/d3dt02662k","","","0.71073","MoKα","","0.0528","0.0367","","","0.0916","0.1069","","","","","","1.029","","","","has coordinates","289471","2024-02-04","11:46:51",""
"7714418","11.4008","0.0014","12.1141","0.0015","14.398","0.0018","85.328","0.004","75.08","0.004","75.079","0.004","1856.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N18 O26 Tb4 -","- C68 H74 N18 O26 Tb4 -","- C68 H74 N18 O26 Tb4 -","1","0.5","","Ali, Wajid; Jamshidi-Adegani, Fatemeh; Mirsanei, Zahra; Al-Kindi, Juhaina; Vakilian, Saeid; Al-Broumi, Mohammed; Al-Hashmi, Sulaiman; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad Usman","Lanthanide complexes facilitate wound healing by promoting fibroblast viability, migration and M2 macrophage polarization.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","65","73","10.1039/d3dt02662k","","x-ray","1.54178","CuKα","","0.0579","0.0444","","","0.0953","0.1023","","","","","","1.069","","","","has coordinates","289471","2024-02-04","11:46:51",""
"7714419","11.3425","0.0005","12.0765","0.0006","14.3119","0.0007","85.43","0.002","74.914","0.002","75.428","0.002","1831.75","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 Ho4 N18 O26 -","- C68 H74 Ho4 N18 O26 -","- C68 H74 Ho4 N18 O26 -","1","0.5","","Ali, Wajid; Jamshidi-Adegani, Fatemeh; Mirsanei, Zahra; Al-Kindi, Juhaina; Vakilian, Saeid; Al-Broumi, Mohammed; Al-Hashmi, Sulaiman; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad Usman","Lanthanide complexes facilitate wound healing by promoting fibroblast viability, migration and M2 macrophage polarization.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","65","73","10.1039/d3dt02662k","","","0.71073","MoKα","","0.0564","0.0372","","","0.0964","0.1181","","","","","","1.067","","","","has coordinates","289471","2024-02-04","11:46:51",""
"7714420","9.3312","0.0002","11.6285","0.0003","18.2162","0.0005","90","","96.507","0.001","90","","1963.87","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N O6 Yb -","- C20 H20 N O6 Yb -","- C80 H80 N4 O24 Yb4 -","4","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Taydakov, Ilya V.; Metlin, Mikhail T.; Datskevitch, Nikolay; Buzoverov, Mikhail E.; Babeshkin, Konstantin Andreevich; Efimov, N. N.","Novel Stable Ytterbium Acetylacetonate-Quinaldinate Complexes as Single-Molecule Magnets and Surprisingly Efficient Luminophores","Dalton Transactions","2023","","","","","10.1039/D3DT03253A","","","0.71073","MoKα","","0.0354","0.0269","","","0.0455","0.0474","","","","","","1.037","","","","has coordinates","287480","2023-11-08","00:04:10",""
"7714421","10.1267","0.0004","12.577","0.0005","12.5907","0.0005","83.246","0.001","71.951","0.001","67.482","0.001","1408.44","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N3 O6 Yb -","- C32 H28 N3 O6 Yb -","- C64 H56 N6 O12 Yb2 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Taydakov, Ilya V.; Metlin, Mikhail T.; Datskevitch, Nikolay; Buzoverov, Mikhail E.; Babeshkin, Konstantin Andreevich; Efimov, N. N.","Novel Stable Ytterbium Acetylacetonate-Quinaldinate Complexes as Single-Molecule Magnets and Surprisingly Efficient Luminophores","Dalton Transactions","2023","","","","","10.1039/D3DT03253A","","","0.71073","MoKα","","0.0478","0.0348","","","0.0533","0.0582","","","","","","1.077","","","","has coordinates","287480","2023-11-08","00:04:11",""
"7714422","11.9925","0.0004","12.1587","0.0004","26.1155","0.0008","101.618","0.001","92.067","0.001","118.493","0.001","3239.33","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H37 N3 O7.5 Yb -","- C35 H37 N3 O7.5 Yb -","- C140 H148 N12 O30 Yb4 -","4","2","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Taydakov, Ilya V.; Metlin, Mikhail T.; Datskevitch, Nikolay; Buzoverov, Mikhail E.; Babeshkin, Konstantin Andreevich; Efimov, N. N.","Novel Stable Ytterbium Acetylacetonate-Quinaldinate Complexes as Single-Molecule Magnets and Surprisingly Efficient Luminophores","Dalton Transactions","2023","","","","","10.1039/D3DT03253A","","","0.71073","MoKα","","0.0297","0.0226","","","0.0478","0.0498","","","","","","1.013","","","","has coordinates","287480","2023-11-08","00:04:11",""
"7714423","20.3803","0.0002","20.3803","0.0002","9.0334","0.0002","90","","90","","90","","3752.08","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C32 H60 O8 P4 Pd -","- C32 H60 O8 P4 Pd -","- C128 H240 O32 P16 Pd4 -","4","0.25","","Nobbs, James David; Tay, Dillon; Yeap, Yoon Hui; Tiong, Yong-Lun; Ye, Suming; Aitipamula, Srinivasulu; Wang, Cun; Cheong, Choon Boon; van Meurs, Martin","Dioxaphosphabicyclooctanes: small caged phosphines from tris(hydroxymethyl)phosphine","Dalton Transactions","2023","","","","","10.1039/D3DT02577B","","x-ray","1.54184","CuKα","","0.0439","0.0419","","","0.1118","0.114","","","","","","1.094","","","","has coordinates,has disorder","287481","2023-11-08","00:04:54",""
"7714424","11.7581","0.0016","10.6856","0.0015","8.9245","0.0011","90","","107.289","0.005","90","","1070.6","0.2","300","","300","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H30 Cl2 O4 P2 Pd -","- C16 H30 Cl2 O4 P2 Pd -","- C32 H60 Cl4 O8 P4 Pd2 -","2","0.25","","Nobbs, James David; Tay, Dillon; Yeap, Yoon Hui; Tiong, Yong-Lun; Ye, Suming; Aitipamula, Srinivasulu; Wang, Cun; Cheong, Choon Boon; van Meurs, Martin","Dioxaphosphabicyclooctanes: small caged phosphines from tris(hydroxymethyl)phosphine","Dalton Transactions","2023","","","","","10.1039/D3DT02577B","","","0.71073","MoKα","","0.0203","0.0193","","","0.0431","0.0436","","","","","","1.079","","","","has coordinates,has disorder","287481","2023-11-08","00:04:54",""
"7714425","8.139","0.006","13.115","0.008","24.022","0.008","90","","95.12","0.05","90","","2554","3","296","2","298.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl F3 N3 O6 Ru S4 -","- C16 H27 Cl F3 N3 O6 Ru S4 -","- C64 H108 Cl4 F12 N12 O24 Ru4 S16 -","4","1","","Jennings, Murphy; Cuéllar, Elena; Rojo, Ariadna; Ferrero, Sergio; García-Herbosa, Gabriel; Nganga, John; Angeles-Boza, Alfredo M; Martín-Alvarez, Jose M; Miguel, Daniel; Villafañe, Fernando","1,2-Azolylamidino ruthenium(II) complexes with DMSO ligands: electro- and photocatalysts for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01122d","","x-ray","0.71073","MoKα","","0.0539","0.0379","","","0.0852","0.0934","","","","","","1.036","","","","has coordinates","287482","2023-11-08","00:05:32",""
"7714426","8.8611","0.0003","16.6923","0.0007","16.0264","0.0006","90","","92.275","0.003","90","","2368.63","0.16","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H25 Cl F3 N3 O6 Ru S4 -","- C12 H25 Cl F3 N3 O6 Ru S4 -","- C48 H100 Cl4 F12 N12 O24 Ru4 S16 -","4","1","","Jennings, Murphy; Cuéllar, Elena; Rojo, Ariadna; Ferrero, Sergio; García-Herbosa, Gabriel; Nganga, John; Angeles-Boza, Alfredo M; Martín-Alvarez, Jose M; Miguel, Daniel; Villafañe, Fernando","1,2-Azolylamidino ruthenium(II) complexes with DMSO ligands: electro- and photocatalysts for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01122d","","x-ray","0.71073","MoKα","","0.0488","0.0333","","","0.0704","0.0769","","","","","","1.036","","","","has coordinates","287482","2023-11-08","00:05:33",""
"7714427","6.9869","0.0007","7.2719","0.0008","12.784","0.0013","103.327","0.002","98.837","0.002","103.314","0.002","600.22","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N6 O10 -","- C22 H20 Co N6 O10 -","- C22 H20 Co N6 O10 -","1","0.5","","Lv, Qiu; Guan, Qing Lin; Li, Jin Long; Li, Jin Xiao; Jin, Jing; Bai, Feng Ying; Xing, Yong Heng","Smart crystalline framework materials with a triazole carboxylic acid ligand: fluorescence sensing and catalytic reduction of PNP.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02406g","","","0.71073","MoKα","","0.0346","0.0298","","","0.0767","0.0798","","","","","","1.047","","","","has coordinates","287495","2023-11-09","23:52:07",""
"7714428","6.8933","0.0005","7.3208","0.0005","13.1213","0.0008","104.634","0.001","98.637","0.001","104.382","0.001","604.37","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N6 O10 -","- C22 H20 Cu N6 O10 -","- C22 H20 Cu N6 O10 -","1","0.5","","Lv, Qiu; Guan, Qing Lin; Li, Jin Long; Li, Jin Xiao; Jin, Jing; Bai, Feng Ying; Xing, Yong Heng","Smart crystalline framework materials with a triazole carboxylic acid ligand: fluorescence sensing and catalytic reduction of PNP.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02406g","","","0.71073","MoKα","","0.0382","0.033","","","0.085","0.0886","","","","","","1.044","","","","has coordinates","287495","2023-11-09","23:52:07",""
"7714429","7.151","0.002","6.596","0.002","25.646","0.008","90","","90","","90","","1209.7","0.6","296.15","","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O5 Pb -","- C11 H9 N3 O5 Pb -","- C44 H36 N12 O20 Pb4 -","4","0.5","","Lv, Qiu; Guan, Qing Lin; Li, Jin Long; Li, Jin Xiao; Jin, Jing; Bai, Feng Ying; Xing, Yong Heng","Smart crystalline framework materials with a triazole carboxylic acid ligand: fluorescence sensing and catalytic reduction of PNP.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02406g","","x-ray","0.71073","MoKα","","0.0728","0.0686","","","0.1916","0.194","","","","","","1.095","","","","has coordinates,has disorder","287495","2023-11-09","23:52:07",""
"7714430","10.1341","0.0009","19.8579","0.0013","11.3131","0.0008","90","","95.212","0.007","90","","2267.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H35 F9 N3 O6 Yb -","- C46 H35 F9 N3 O6 Yb -","- C92 H70 F18 N6 O12 Yb2 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.0667","0.0468","","","0.0625","0.0669","","","","","","0.982","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714431","10.1213","0.0006","19.8331","0.001","11.3132","0.0008","90","","95.262","0.006","90","","2261.4","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H35 F9 N3 O6 Yb -","- C46 H35 F9 N3 O6 Yb -","- C92 H70 F18 N6 O12 Yb2 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.097","0.066","","","0.13","0.1498","","","","","","1.035","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714432","10.3289","0.0006","20.9947","0.0012","21.4061","0.0012","90","","98.852","0.006","90","","4586.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H89 N3 O13 Yb2 -","- C108 H89 N3 O13 Yb2 -","- C216 H178 N6 O26 Yb4 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.0734","0.0543","","","0.0828","0.0899","","","","","","0.999","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714433","10.3498","0.0007","21.0293","0.0011","21.4472","0.0014","90","","98.962","0.006","90","","4611","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H89 N3 O13 Yb2 -","- C108 H89 N3 O13 Yb2 -","- C216 H178 N6 O26 Yb4 -","2","1","","Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT03324D","","","0.71073","MoKα","","0.0816","0.0572","","","0.0782","0.0879","","","","","","0.928","","","","has coordinates","287496","2023-11-09","23:52:50",""
"7714434","8.6905","0.0014","11.9599","0.0018","18.386","0.003","90","","90","","90","","1911","0.5","126","2","126","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H6 Co2 Cs N7 O18 -","- C5 H6 Co2 Cs N7 O18 -","- C20 H24 Co8 Cs4 N28 O72 -","4","0.5","","Vorobyova, Anna; Lyssenko, Konstantin; Chistyakov, Gregory; Morozov, Igor V.; Ovchenkov, Yevgeny; Vasilchikova, Tatyana M.; Koo, Hyun-Joo; Whangbo, Mike; Volkova, Olga S.; Vasiliev, Alexander","Combination of Organic and Inorganic Cations in Synthesis of Transition Metal Nitrates: Preparation and Characterization of Canted Rectangular Ising Antiferromagnet (PyH)CsCo2(NO3)6","Dalton Transactions","2023","","","","","10.1039/D3DT03159D","","","0.71073","MoKα","","0.0574","0.0472","","","0.0998","0.1049","","","","","","1.05","","","","has coordinates,has disorder","287497","2023-11-09","23:53:38",""
"7714435","8.658","0.003","11.869","0.004","17.593","0.006","90","","90","","90","","1807.9","1.1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 N8 Ni2 O18 -","- C5 H10 N8 Ni2 O18 -","- C20 H40 N32 Ni8 O72 -","4","0.5","","Vorobyova, Anna; Lyssenko, Konstantin; Chistyakov, Gregory; Morozov, Igor V.; Ovchenkov, Yevgeny; Vasilchikova, Tatyana M.; Koo, Hyun-Joo; Whangbo, Mike; Volkova, Olga S.; Vasiliev, Alexander","Combination of Organic and Inorganic Cations in Synthesis of Transition Metal Nitrates: Preparation and Characterization of Canted Rectangular Ising Antiferromagnet (PyH)CsCo2(NO3)6","Dalton Transactions","2023","","","","","10.1039/D3DT03159D","","","0.71073","MoKα","","0.074","0.0494","","","0.104","0.1195","","","","","","1.036","","","","has coordinates","287497","2023-11-09","23:53:38",""
"7714436","8.632","0.003","11.859","0.004","18.173","0.004","90","","90","","90","","1860.3","1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cs N7 Ni2 O18 -","- C5 H6 Cs N7 Ni2 O18 -","- C20 H24 Cs4 N28 Ni8 O72 -","4","0.5","","Vorobyova, Anna; Lyssenko, Konstantin; Chistyakov, Gregory; Morozov, Igor V.; Ovchenkov, Yevgeny; Vasilchikova, Tatyana M.; Koo, Hyun-Joo; Whangbo, Mike; Volkova, Olga S.; Vasiliev, Alexander","Combination of Organic and Inorganic Cations in Synthesis of Transition Metal Nitrates: Preparation and Characterization of Canted Rectangular Ising Antiferromagnet (PyH)CsCo2(NO3)6","Dalton Transactions","2023","","","","","10.1039/D3DT03159D","","","0.71073","MoKα","","0.0311","0.0243","","","0.0564","0.0588","","","","","","1.005","","","","has coordinates","287497","2023-11-09","23:53:38",""
"7714437","8.631","0.0017","28.231","0.006","10.601","0.002","90","","105.99","0.03","90","","2483.1","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Mg O15 U3 -","- Mg O15 U3 -","- Mg8 O120 U24 -","8","2","","Zhang, Yingjie; Lu, Kim; Wei, Tao; Karatchevtseva, Inna; Zheng, Rongkun","Filling the gaps of uranium oxide hydrates with magnesium(II) ions: unique layered structures and the role of additional sodium(I) ions","Dalton Transactions","2023","","","","","10.1039/D3DT03078D","","","0.71079","silicondoublecrystalmonochromatedsynchrotron","","0.0699","0.0645","","","0.1583","0.1612","","","","","","1.125","","","","has coordinates","287498","2023-11-09","23:54:25",""
"7714438","8.214","0.0016","8.398","0.0017","10.769","0.002","77.62","0.03","89.01","0.03","75.83","0.03","703","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Mg Na2 O34 U8 -","- Mg Na2 O34 U8 -","- Mg Na2 O34 U8 -","1","0.5","","Zhang, Yingjie; Lu, Kim; Wei, Tao; Karatchevtseva, Inna; Zheng, Rongkun","Filling the gaps of uranium oxide hydrates with magnesium(II) ions: unique layered structures and the role of additional sodium(I) ions","Dalton Transactions","2023","","","","","10.1039/D3DT03078D","","","0.71079","silicondoublecrystalmonochromatedsynchrotron","","0.0548","0.0424","","","0.1058","0.1144","","","","","","1.019","","","","has coordinates","287498","2023-11-09","23:54:26",""
"7714439","7.015","0.0014","12.067","0.002","13.411","0.003","91.22","0.03","100.49","0.03","90.36","0.03","1116","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Mg Na2 O26 U6 -","- Mg Na2 O26 U6 -","- Mg2 Na4 O52 U12 -","2","1","","Zhang, Yingjie; Lu, Kim; Wei, Tao; Karatchevtseva, Inna; Zheng, Rongkun","Filling the gaps of uranium oxide hydrates with magnesium(II) ions: unique layered structures and the role of additional sodium(I) ions","Dalton Transactions","2023","","","","","10.1039/D3DT03078D","","","0.71079","silicondoublecrystalmonochromatedsynchrotron","","0.0429","0.0401","","","0.1023","0.1068","","","","","","1.076","","","","has coordinates","287498","2023-11-09","23:54:26",""
"7714440","11.6459","0.0008","15.3742","0.0009","15.6241","0.0009","106.185","0.002","100.478","0.002","91.602","0.002","2632.6","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","4-I","","- C52 H68 Au I N12 -","- C52 H68 Au I N12 -","- C104 H136 Au2 I2 N24 -","2","1","","Richter, Leon F.; Marques, Fernanda; Correia, João D G; Pöthig, Alexander; Kühn, Fritz E","Exploiting click-chemistry: backbone post-functionalisation of homoleptic gold(I) 1,2,3-triazole-5-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03052k","","x-ray","0.71073","MoKα","","0.0276","0.0256","","","0.0546","0.0553","","","","","","1.14","","","","has coordinates","287499","2023-11-09","23:54:54",""
"7714441","11.8845","0.0002","12.3506","0.0002","13.4163","0.0002","90","","97.901","0.001","90","","1950.56","0.05","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tBu-PCN-Ni-Cl","","- C19 H25 Cl N Ni O P -","- C19 H25 Cl N Ni O P -","- C76 H100 Cl4 N4 Ni4 O4 P4 -","4","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.0337","0.0296","","","0.0776","0.0798","","","","","","1.063","","","","has coordinates","287500","2023-11-09","23:55:59",""
"7714442","16.3743","0.0005","8.0671","0.0002","16.2293","0.0005","90","","117.9","0.004","90","","1894.6","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N Ni O P S -","- C19 H26 N Ni O P S -","- C76 H104 N4 Ni4 O4 P4 S4 -","4","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.1051","0.0942","","","0.2522","0.257","","","","","","1.147","","","","has coordinates","287500","2023-11-09","23:55:59",""
"7714443","11.5348","0.0002","12.0028","0.0002","14.9796","0.0003","90","","90","","90","","2073.92","0.06","149.99","0.1","149.99","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Me-tBu-POCN-Ni-Cl","","- C20 H27 Cl N Ni O P -","- C20 H27 Cl N Ni O P -","- C80 H108 Cl4 N4 Ni4 O4 P4 -","4","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.0301","0.0289","","","0.0699","0.0712","","","","","","1.063","","","","has coordinates","287500","2023-11-09","23:55:59",""
"7714444","14.3139","0.0003","10.1907","0.0002","15.4819","0.0004","90","","109.397","0.003","90","","2130.14","0.09","170","0.1","170","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","CF3-tBu-POCNP-Ni-Cl","","- C20 H24 Cl F3 N Ni O P -","- C20 H24 Cl F3 N Ni O P -","- C80 H96 Cl4 F12 N4 Ni4 O4 P4 -","4","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.0848","0.0739","","","0.2154","0.2242","","","","","","1.073","","","","has coordinates","287500","2023-11-09","23:55:59",""
"7714445","18.4614","0.0002","12.6536","0.0002","19.6198","0.0002","90","","90","","90","","4583.25","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tBu-POCN-Ni-SPh","","- C25 H30 N Ni O P S -","- C25 H30 N Ni O P S -","- C200 H240 N8 Ni8 O8 P8 S8 -","8","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.039","0.034","","","0.0889","0.0919","","","","","","1.036","","","","has coordinates","287500","2023-11-09","23:56:00",""
"7714446","8.8262","0.0002","24.3511","0.0005","15.4932","0.0004","90","","94.513","0.002","90","","3319.59","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 B2 F6 Ir2 N12 O2 -","- C60 H66 B2 F6 Ir2 N12 O2 -","- C120 H132 B4 F12 Ir4 N24 O4 -","2","0.5","","Ortiz-Hernández, Mariana; Salazar, Verónica; Mendoza-Espinosa, Daniel; Gomez-Bonilla, Manuel Alejandro; Cristobal, Crispin; Ortega-Alfaro, M. Carmen; Suárez, Andrés; Sandoval-Chavez, Cesar","CH Bond-activation in aromatic ketones mediated by Iridium-Tris(pyrazolyl) borate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02849F","","x-ray","0.71073","MoKα","","0.0559","0.0349","","","0.0798","0.0928","","","","","","1.047","","","","has coordinates,has disorder","287529","2023-11-11","00:15:02",""
"7714447","21.333","0.003","21.333","0.003","41.366","0.006","90","","90","","120","","16303","4","193","2","193","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C87 H99 B3 F3 Ir3 N18 O3 -","- C87 H99 B3 F3 Ir3 N18 O3 -","- C522 H594 B18 F18 Ir18 N108 O18 -","6","0.333333","","Ortiz-Hernández, Mariana; Salazar, Verónica; Mendoza-Espinosa, Daniel; Gomez-Bonilla, Manuel Alejandro; Cristobal, Crispin; Ortega-Alfaro, M. Carmen; Suárez, Andrés; Sandoval-Chavez, Cesar","CH Bond-activation in aromatic ketones mediated by Iridium-Tris(pyrazolyl) borate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02849F","","","0.71073","MoKα","","0.0708","0.0537","","","0.1497","0.1622","","","","","","0.978","","","","has coordinates","287529","2023-11-11","00:15:03",""
"7714448","14.417","0.004","14.593","0.004","15.448","0.005","109.695","0.007","116.709","0.007","96.843","0.007","2588.1","1.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Cl2 N18 O5 Zn -","- C49 H46 Cl2 N18 O5 Zn -","- C98 H92 Cl4 N36 O10 Zn2 -","2","1","","Birara, Sunita; Saini, Shalu; Majumder, Moumita; Lama, Prem; Tiwari, Shree Prakash; Metre, Ramesh K.","Design and Synthesis of Solution-Processed Redox-Active Bis(Formazanate) Zinc Complex for Resistive Switching Applications","Dalton Transactions","2023","","","","","10.1039/D3DT02809G","","","0.71073","MoKα","","0.0749","0.0544","","","0.1245","0.1361","","","","","","1.048","","","","has coordinates,has disorder","287530","2023-11-11","00:15:45",""
"7714449","34.13","0.005","10.356","0.0014","20.601","0.003","90","","118.842","0.005","90","","6378.2","1.6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H64 Ag2 Fe N8 O2 -","- C80 H64 Ag2 Fe N8 O2 -","- C320 H256 Ag8 Fe4 N32 O8 -","4","0.5","","Yan, Fei-Fei; Liu, Dan; Cai, Rui; Zhao, Liang; Mao, Pan-Dong; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Simultaneous Magneto-dielectric Transition in a Fluorescent Hofmann-type Coordination Polymer","Dalton Transactions","2023","","","","","10.1039/D3DT03186A","","","0.71073","MoKα","","0.0793","0.0627","","","0.1902","0.2059","","","","","","1.07","","","","has coordinates","287531","2023-11-11","00:16:23",""
"7714450","34.798","0.004","10.5908","0.0011","21.157","0.003","90","","119.833","0.004","90","","6763.9","1.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H62 Ag2 Fe N8 O2 -","- C80 H62 Ag2 Fe N8 O2 -","- C320 H248 Ag8 Fe4 N32 O8 -","4","0.5","","Yan, Fei-Fei; Liu, Dan; Cai, Rui; Zhao, Liang; Mao, Pan-Dong; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Simultaneous Magneto-dielectric Transition in a Fluorescent Hofmann-type Coordination Polymer","Dalton Transactions","2023","","","","","10.1039/D3DT03186A","","","0.71073","MoKα","","0.1074","0.0773","","","0.2266","0.2493","","","","","","1.047","","","","has coordinates","287531","2023-11-11","00:16:24",""
"7714451","9.0615","0.0002","18.6688","0.0006","28.0754","0.0006","90","","92.536","0.002","90","","4744.8","0.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl3 Fe N2 -","- C54 H44 Cl3 Fe N2 -","- C216 H176 Cl12 Fe4 N8 -","4","1","","Liu, Lijia; Zhang, Chunyu; Zhang, Xuequan; Liu, Heng; Wang, Feng","Efficient and Well-Controlled Ring Opening Polymerization of Biobased Ethylene Brassylate by α-Diimine FeCl3 Catalysts via a Coordination-Insertion Mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT02918B","","x-ray","1.54184","CuKα","","0.1144","0.0909","","","0.276","0.2994","","","","","","1.108","","","","has coordinates,has disorder","287532","2023-11-11","00:16:55",""
"7714452","34.716","0.007","7.5037","0.0015","24.024","0.005","90","","131.88","0.03","90","","4660","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 Fe6 N40 O27 S8 -","- C56 H78 Fe6 N40 O27 S8 -","- C112 H156 Fe12 N80 O54 S16 -","2","0.25","","Sanina, Nataliya A.; Utenyshev, Andrey N.; Dorovatovskii, Pavel; Emel’yanova, Nina S.; Ovanesyan, Nikolai S.; Kulikov, Alexander V.; Sulimenkov, Ilia; Luzhkov, Victor B.; Pokidova, Olesya Viktorovna; Aldoshin, Sergey M.","Synthesis, a unique structure and properties of the tetranitrosyl iron complex, the inhibitor of phosphodiesterase 1","Dalton Transactions","2023","","","","","10.1039/D3DT03104G","","","0.80246","synchrotron","","0.0826","0.0678","","","0.1666","0.1785","","","","","","1.05","","","","has coordinates","287533","2023-11-11","00:17:22",""
"7714453","13.4207","0.0018","18.561","0.003","11.3906","0.0015","90","","112.65","0.002","90","","2618.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Dy N9 O10 -","- C20 H24 Dy N9 O10 -","- C80 H96 Dy4 N36 O40 -","4","1","","Gil, Yolimar; de Santana, Ricardo Costa; Vega, Andres; Aravena, Daniel; Spodine, Evgenia","Influence of Symmetry on the Magneto-Optical Properties of a Bifunctional Macrocyclic DyIII Complex","Dalton Transactions","2023","","","","","10.1039/D3DT03042C","","","0.71073","MoKα","","0.0267","0.0204","","","0.0449","0.0481","","","","","","1.033","","","","has coordinates","287569","2023-11-13","23:53:12",""
"7714454","18.5594","0.0015","18.5594","0.0015","11.7771","0.0013","90","","90","","120","","3513.2","0.6","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H58 N6 O30 S6 Sr Zn6 -","- C30 H21 N6 O27 S6 Sr Zn6 -","- C60 H42 N12 O54 S12 Sr2 Zn12 -","2","0.333333","","Bilanin Artigado, Cristina; Escamilla, Paula; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective cycloaddition of ethylene oxide to CO2 within the confined space of an amino acid-based metal-organic framework","Dalton Transactions","2023","","","","","10.1039/D3DT01984E","","","0.71073","MoKα","","0.1196","0.0597","","","0.1571","0.1907","","","","","","1.029","","","","has coordinates","287570","2023-11-13","23:53:44",""
"7714455","10.081","0.0011","14.5969","0.0016","29.227","0.003","90","","90","","90","","4300.8","0.8","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.99 H58.99 Ga N4 O2 -","- C48 H59 Ga N4 O2 -","- C192 H236 Ga4 N16 O8 -","4","1","","Puthiyaveetil, Sruthi S.; Kassymbek, Aishabibi; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","1,3-C-H bond activation on a transient gallium(I)/isocyanate adduct.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03367h","","","0.71073","MoKα","","0.0393","0.0355","","","0.0835","0.0855","","","","","","1.049","","","","has coordinates,has disorder","287571","2023-11-13","23:54:35",""
"7714456","13.254","0.002","12.136","0.002","24.327","0.004","90","","97.271","0.006","90","","3881.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H51 Ga N4 O2 -","- C43 H51 Ga N4 O2 -","- C172 H204 Ga4 N16 O8 -","4","1","","Puthiyaveetil, Sruthi S.; Kassymbek, Aishabibi; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","1,3-C-H bond activation on a transient gallium(I)/isocyanate adduct.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03367h","","","0.71073","MoKα","","0.1319","0.1087","","","0.2423","0.2544","","","","","","1.182","","","","has coordinates","287571","2023-11-13","23:54:36",""
"7714457","12.1241","0.0007","19.7684","0.0012","15.2234","0.0009","90","","94.397","0.002","90","","3637.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 Ga N3 O2 S -","- C38 H52 Ga N3 O2 S -","- C152 H208 Ga4 N12 O8 S4 -","4","1","","Puthiyaveetil, Sruthi S.; Kassymbek, Aishabibi; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","1,3-C-H bond activation on a transient gallium(I)/isocyanate adduct.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03367h","","","0.71073","MoKα","","0.0651","0.0484","","","0.096","0.1038","","","","","","1.092","","","","has coordinates","287571","2023-11-13","23:54:36",""
"7714458","9.863","0.003","10.865","0.003","12.144","0.004","82.801","0.009","67.95","0.009","71.802","0.009","1145.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 Co N9 O10.5 -","- C15 H24 Co N9 O10.5 -","- C30 H48 Co2 N18 O21 -","2","1","","Panda, Suvam Kumar; Rai, Ankit; Singh, Akhilesh Kumar","Study of paraCEST response on six-coordinated Co(II) and Ni(II) complexes of a pyridine-tetraamide-based ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02283H","","","0.71073","MoKα","","0.1361","0.0634","","","0.171","0.2415","","","","","","0.875","","","","has coordinates","287596","2023-11-14","23:54:18",""
"7714459","13.442","0.004","21.256","0.006","17.195","0.005","90","","108.984","0.011","90","","4646","2","281","","281","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C57.5 H79.5 Dy4 N8.5 O40.5 -","- C32 H20 Dy4 O32 -","- C64 H40 Dy8 O64 -","2","0.5","","Shao, Dong; Wan, Yi; Yang, Jiong; Zhu, Junlun; Ruan, Zhijun; Shi, Le","Assembly of dysprosium(III) cubanes in metal–organic framework with ecu topology and slow magnetic relaxation","Dalton Transactions","2023","","","","","10.1039/D3DT03137C","","","0.71073","MoKα","","0.0508","0.0391","","","0.107","0.1122","","","","","","0.994","","","","has coordinates,has disorder","287597","2023-11-14","23:54:46",""
"7714460","23.3248","0.0009","23.3248","0.0009","32.71","0.002","90","","90","","120","","15411.6","1.3","193","","193","","","","","","","","","6","P 31 2 1","P 31 2""","152","","HIAM-4033","","- C79 H50 N6 O32 S3 Zr6 -","- C79 H50 N6 O32 S3 Zr6 -","- C237 H150 N18 O96 S9 Zr18 -","3","0.5","","Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan","Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT03348A","","x-ray","1.34139","GaKα","","0.081","0.0605","","","0.1708","0.188","","","","","","1.011","","","","has coordinates,has disorder","287598","2023-11-14","23:55:35",""
"7714461","32.5504","0.0006","32.5504","0.0006","40.8188","0.0013","90","","90","","120","","37454.5","1.5","193.15","","193.15","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","HIAM-4034","","- C86 H75 N9 O35 S3 Zr6 -","- C86 H75 N9 O35 S3 Zr6 -","- C774 H675 N81 O315 S27 Zr54 -","9","0.5","","Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan","Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT03348A","","","1.34139","GaKα","","0.0736","0.0481","","","0.1206","0.1336","","","","","","0.982","","","","has coordinates,has disorder","287598","2023-11-14","23:55:35",""
"7714462","23.5238","0.0015","8.6067","0.0005","21.8982","0.0013","90","","90","","90","","4433.6","0.5","102","","102","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","1-MeCN","","- C14 H3 F24 Ge N O4 -","- C14 H3 F24 Ge N O4 -","- C112 H24 F192 Ge8 N8 O32 -","8","1","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0686","0.0458","","","0.1171","0.1315","","","","","","1.017","","","","has coordinates","289462","2024-02-04","11:44:12",""
"7714463","8.3203","0.0006","10.34","0.0007","11.4331","0.0008","89.998","0.002","90.021","0.002","90.062","0.002","983.61","0.12","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","2","","- C12 F24 O4 Si -","- C12 F24 O4 Si -","- C24 F48 O8 Si2 -","2","1","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0601","0.0492","","","0.1114","0.1203","","","","","","1.043","","","","has coordinates,has disorder","289462","2024-02-04","11:44:12",""
"7714464","11.8448","0.0008","7.7953","0.0005","14.4848","0.0009","90","","93.398","0.002","90","","1335.08","0.15","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","3","","- C16 H8 F24 Ge2 O6 -","- C16 H8 F24 Ge2 O6 -","- C32 H16 F48 Ge4 O12 -","2","0.5","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0397","0.0374","","","0.0891","0.0903","","","","","","1.157","","","","has coordinates","289462","2024-02-04","11:44:12",""
"7714465","11.2001","0.001","15.7831","0.0014","22.3057","0.0019","107.062","0.003","102.834","0.003","95.235","0.003","3623.2","0.6","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","[K(18-c-6)][F-1]","","- C48 H46.78 F49.99 Ge2 K2 O20 -","- C48 H46.774 F49.997 Ge2 K2 O20 -","- C96 H93.548 F99.994 Ge4 K4 O40 -","2","1","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0451","0.0348","","","0.0717","0.0765","","","","","","1.087","","","","has coordinates,has disorder","289462","2024-02-04","11:44:12",""
"7714466","18.7356","0.0009","18.5219","0.001","11.6384","0.0006","90","","90","","90","","4038.7","0.4","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","1","","- C1.71 F3.43 Ge0.14 O0.57 -","- C1.71429 F3.42857 Ge0.142857 O0.571429 -","- C96 F192 Ge8 O32 -","56","28","","Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi","A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","74","81","10.1039/d3dt03626j","","x-ray","0.71073","MoKα","","0.0892","0.084","","","0.2274","0.2352","","","","","","1.049","","","","has coordinates,has disorder","289462","2024-02-04","11:44:12",""
"7714467","13.1705","0.0007","7.6969","0.0004","27.2166","0.0014","90","","101.376","0.0017","90","","2704.8","0.2","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H50 Cl2 F6 N5 O4 P Ru -","- C47 H50 Cl2 F5.993 N5 O4 P Ru -","- C94 H100 Cl4 F11.986 N10 O8 P2 Ru2 -","2","1","","Labra-Vázquez, Pablo; Rocha, Erika; Xiao, Yue; Tassé, Marine; Duhayon, Carine; Farfán, Norberto; Santillan, Rosa; Gibot, Laure; Lacroix, Pascal G.; Malfant, Isabelle","A Trojan Horse Approach to Enhancing the Cell Income of a Ruthenium Nitrosyl Complex","Dalton Transactions","2023","","","","","10.1039/D3DT03480A","","","0.71073","MoKα","","0.0431","0.04","","0.1029","0.1012","0.1029","","","","","","0.9698","","","","has coordinates,has disorder","287630","2023-11-15","23:58:30",""
"7714468","10.758","0.0002","13.7934","0.0003","31.8783","0.0006","90","","90","","90","","4730.4","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H33 Cl2 Co N5 O -","- C18 H33 Cl2 Co N5 O -","- C144 H264 Cl16 Co8 N40 O8 -","8","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0647","0.0541","","","0.1579","0.1661","","","","","","1.07","","","","has coordinates","287631","2023-11-16","00:00:06",""
"7714469","17.2598","0.0004","8.0117","0.0001","17.7444","0.0004","90","","111.562","0.002","90","","2281.99","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 Co N7 S2 -","- C19 H29 Co N7 S2 -","- C76 H116 Co4 N28 S8 -","4","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0604","0.0529","","","0.1333","0.1433","","","","","","1.054","","","","has coordinates","287631","2023-11-16","00:00:06",""
"7714470","15.2438","0.0002","16.37741","0.00019","17.6591","0.0002","90","","90","","90","","4408.66","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H29 Cl Co N6 O5 -","- C18 H29 Cl Co N6 O5 -","- C144 H232 Cl8 Co8 N48 O40 -","8","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.059","0.0485","","","0.136","0.1439","","","","","","1.051","","","","has coordinates","287631","2023-11-16","00:00:06",""
"7714471","8.5104","0.0001","10.4629","0.0001","12.91","0.0001","79.8","0.001","81.442","0.001","88.958","0.001","1118.75","0.02","276","2","276","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H35 Cl2 Co N5 O3 -","- C17 H35 Cl2 Co N5 O3 -","- C34 H70 Cl4 Co2 N10 O6 -","2","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","x-ray","1.54184","CuKα","","0.0303","0.0288","","","0.072","0.0728","","","","","","1.052","","","","has coordinates","287631","2023-11-16","00:00:07",""
"7714472","28.5309","0.0004","10.45941","0.00015","14.18701","0.00016","90","","90.7236","0.0012","90","","4233.3","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 Br4 Co2 N10 O -","- C35 H62 Br4 Co2 N10 O -","- C140 H248 Br16 Co8 N40 O4 -","4","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0856","0.0662","","","0.1658","0.1764","","","","","","1.147","","","","has coordinates","287631","2023-11-16","00:00:07",""
"7714473","15.3931","0.0002","16.2764","0.0002","17.5144","0.0003","90","","90","","90","","4388.13","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Cl Co N8 O4 -","- C17 H29 Cl Co N8 O4 -","- C136 H232 Cl8 Co8 N64 O32 -","8","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0588","0.0502","","","0.1459","0.1531","","","","","","1.042","","","","has coordinates","287631","2023-11-16","00:00:07",""
"7714474","17.3749","0.0002","8.2048","0.0001","17.905","0.0002","90","","111.654","0.002","90","","2372.36","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 Co N7 Se2 -","- C19 H29 Co N7 Se2 -","- C76 H116 Co4 N28 Se8 -","4","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0455","0.0413","","","0.1075","0.1102","","","","","","1.023","","","","has coordinates","287631","2023-11-16","00:00:07",""
"7714475","9.1947","0.0003","10.223","0.0003","11.0842","0.0004","65.914","0.003","70.234","0.003","80.603","0.003","894.74","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1","","- C9 H12 Br3 Er O12 -","- C9 H12 Br3 Er O12 -","- C18 H24 Br6 Er2 O24 -","2","1","","Gou, Xiaoshuang; Wu, Yuewei; Wang, Mengmeng; Liu, Ning; Lan, Wenlong; Zhang, Yi-Quan; Shi, Wei; Cheng, Peng","The influence of light on the field-induced magnetization dynamics of two Er(III) coordination polymers with different halogen substituents.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","148","152","10.1039/d3dt02714g","","x-ray","0.71073","MoKα","","0.0429","0.0293","","","0.052","0.0546","","","","","","1.039","","","","has coordinates,has disorder","289466","2024-02-04","11:45:08",""
"7714476","9.1911","0.0003","10.1363","0.0003","11.034","0.0004","64.916","0.003","69.776","0.003","81.116","0.003","873.58","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1","","- C9 H12 Cl3 Er O12 -","- C9 H12 Cl3 Er O12 -","- C18 H24 Cl6 Er2 O24 -","2","1","","Gou, Xiaoshuang; Wu, Yuewei; Wang, Mengmeng; Liu, Ning; Lan, Wenlong; Zhang, Yi-Quan; Shi, Wei; Cheng, Peng","The influence of light on the field-induced magnetization dynamics of two Er(III) coordination polymers with different halogen substituents.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","148","152","10.1039/d3dt02714g","","x-ray","0.71073","MoKα","","0.0199","0.0185","","","0.0447","0.0451","","","","","","1.077","","","","has coordinates,has disorder","289466","2024-02-04","11:45:08",""
"7714477","11.0863","0.0007","11.5113","0.0007","12.3707","0.0007","82.11","0.002","89.574","0.002","71.204","0.002","1479.24","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H47 Gd2 N5 O19 -","- C65 H47 Gd2 N5 O19 -","- C65 H47 Gd2 N5 O19 -","1","0.5","","Natarajan, Srinivasan; Sutter, Jean-Pascal; Manna, Krishna","Turn off Luminescence Sensing, White – Light Emission and Magnetic studies on Two-Dimensional Lanthanide MOFs","Dalton Transactions","2023","","","","","10.1039/D3DT01882B","","","0.71073","MoKα","","0.0485","0.0387","","","0.0914","0.0967","","","","","","1.081","","","","has coordinates,has disorder","287659","2023-11-16","23:59:56",""
"7714478","11.2737","0.0009","11.425","0.0009","12.973","0.001","80.419","0.003","72.423","0.003","72.442","0.003","1513.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H47 Dy2 N5 O19 -","- C69 H47 Dy2 N5 O19 -","- C69 H47 Dy2 N5 O19 -","1","0.5","","Natarajan, Srinivasan; Sutter, Jean-Pascal; Manna, Krishna","Turn off Luminescence Sensing, White – Light Emission and Magnetic studies on Two-Dimensional Lanthanide MOFs","Dalton Transactions","2023","","","","","10.1039/D3DT01882B","","","0.71073","MoKα","","0.0564","0.0398","","","0.0812","0.0882","","","","","","1.036","","","","has coordinates,has disorder","287659","2023-11-16","23:59:57",""
"7714479","11.0404","0.0002","17.8911","0.0003","19.1777","0.0003","82.884","0.001","82.618","0.001","73.738","0.001","3590.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Br2 Fe N6 -","- C42 H30 Br2 Fe N6 -","- C168 H120 Br8 Fe4 N24 -","4","2","","Sun, Dameng; Huang, Xin; Man, Ruo-Jun; Jia, Xinjie; Song, Xinluan; Wang, Sihan; Xue, Xingyong; Liu, Hongming; Ma, Zhen","Fe(II) complexes of 2,2':6',2""-terpyridine ligands functionalized with substituted-phenyl groups: Synthesis, crystal structures and anticancer potential","Dalton Transactions","2023","","","","","10.1039/D3DT02732E","","","0.71073","MoKα","","0.0594","0.0426","","","0.1105","0.1163","","","","","","1.064","","","","has coordinates","287660","2023-11-17","00:01:04",""
"7714480","8.8732","0.001","15.936","0.002","16.198","0.002","79.159","0.011","85.249","0.01","75.473","0.011","2176.1","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Br2 Fe N6 O4 S2 -","- C44 H34 Br2 Fe N6 O4 S2 -","- C88 H68 Br4 Fe2 N12 O8 S4 -","2","1","","Sun, Dameng; Huang, Xin; Man, Ruo-Jun; Jia, Xinjie; Song, Xinluan; Wang, Sihan; Xue, Xingyong; Liu, Hongming; Ma, Zhen","Fe(II) complexes of 2,2':6',2""-terpyridine ligands functionalized with substituted-phenyl groups: Synthesis, crystal structures and anticancer potential","Dalton Transactions","2023","","","","","10.1039/D3DT02732E","","","0.71073","MoKα","","0.2022","0.0902","","","0.1876","0.2516","","","","","","0.98","","","","has coordinates,has disorder","287660","2023-11-17","00:01:07",""
"7714481","9.2636","0.0001","12.0848","0.0002","19.0429","0.0003","83.626","0.001","76.987","0.001","87.498","0.001","2063.86","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Br2.5 Fe N6 O6 -","- C44 H34 Br2.5 Fe N6 O6 -","- C88 H68 Br5 Fe2 N12 O12 -","2","1","","Sun, Dameng; Huang, Xin; Man, Ruo-Jun; Jia, Xinjie; Song, Xinluan; Wang, Sihan; Xue, Xingyong; Liu, Hongming; Ma, Zhen","Fe(II) complexes of 2,2':6',2""-terpyridine ligands functionalized with substituted-phenyl groups: Synthesis, crystal structures and anticancer potential","Dalton Transactions","2023","","","","","10.1039/D3DT02732E","","","0.71073","MoKα","","0.0578","0.0473","","","0.1106","0.1145","","","","","","1.055","","","","has coordinates","287660","2023-11-17","00:01:11",""
"7714482","8.7448","0.0001","10.8183","0.0002","42.8018","0.0006","92.496","0.001","90.322","0.001","105.368","0.001","3900.11","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 Br4 Fe N6 O0.5 -","- C42 H29 Br4 Fe N6 O0.5 -","- C168 H116 Br16 Fe4 N24 O2 -","4","2","","Sun, Dameng; Huang, Xin; Man, Ruo-Jun; Jia, Xinjie; Song, Xinluan; Wang, Sihan; Xue, Xingyong; Liu, Hongming; Ma, Zhen","Fe(II) complexes of 2,2':6',2""-terpyridine ligands functionalized with substituted-phenyl groups: Synthesis, crystal structures and anticancer potential","Dalton Transactions","2023","","","","","10.1039/D3DT02732E","","","0.71073","MoKα","","0.0778","0.0574","","","0.1179","0.1247","","","","","","1.07","","","","has coordinates,has disorder","287660","2023-11-17","00:01:11",""
"7714483","10.5047","0.0001","17.8232","0.0002","20.5854","0.0002","78.739","0.001","84.491","0.001","74.668","0.001","3641.41","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Br2 F2 Fe N6 O2 -","- C42 H32 Br2 F2 Fe N6 O2 -","- C168 H128 Br8 F8 Fe4 N24 O8 -","4","2","","Sun, Dameng; Huang, Xin; Man, Ruo-Jun; Jia, Xinjie; Song, Xinluan; Wang, Sihan; Xue, Xingyong; Liu, Hongming; Ma, Zhen","Fe(II) complexes of 2,2':6',2""-terpyridine ligands functionalized with substituted-phenyl groups: Synthesis, crystal structures and anticancer potential","Dalton Transactions","2023","","","","","10.1039/D3DT02732E","","","0.71073","MoKα","","0.043","0.0314","","","0.0669","0.0699","","","","","","1.03","","","","has coordinates","287660","2023-11-17","00:01:11",""
"7714486","19.1273","0.0009","23.1405","0.001","37.5489","0.0016","90","","95.075","0.001","90","","16554.6","1.3","173","2","173.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C158 H140 Ag2 N4 O62 Ti10 -","- C150 H121.5 Ag1.9999 O58 Ti10 -","- C600 H486 Ag7.9996 O232 Ti40 -","4","1","","Yang, Shuyi; Fu, Yaomei; Tian, Yiran; Zhao, Liang; Wang, Xinlong; Li, Baoli","Design and oxidative desulfurization of Ag/Ti heterometallic clusters based on Hard-Soft Acid-Base principle.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02387g","","x-ray","0.71073","MoKα","K-L~3~","0.1734","0.0846","","","0.1989","0.2394","","","","","","1.03","","","","has coordinates,has disorder","287662","2023-11-17","00:03:58",""
"7714487","21.292","0.005","39.754","0.009","16.628","0.004","90","","92.036","0.008","90","","14066","6","173","2","173.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H116 Ag2 O64 Ti11 -","- C110 H92 Ag2 O58 Ti11 -","- C440 H368 Ag8 O232 Ti44 -","4","0.5","","Yang, Shuyi; Fu, Yaomei; Tian, Yiran; Zhao, Liang; Wang, Xinlong; Li, Baoli","Design and oxidative desulfurization of Ag/Ti heterometallic clusters based on Hard-Soft Acid-Base principle.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02387g","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.0596","","","0.1358","0.1582","","","","","","1.027","","","","has coordinates,has disorder","287662","2023-11-17","00:03:59",""
"7714488","19.6923","0.0016","25.691","0.002","30.026","0.002","90","","108.457","0.002","90","","14409.2","1.9","173","2","173.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H145 Ag2 N3 O42 P2 Ti12 -","- C114 H136 Ag2 O42 P2 Ti12 -","- C456 H544 Ag8 O168 P8 Ti48 -","4","1","","Yang, Shuyi; Fu, Yaomei; Tian, Yiran; Zhao, Liang; Wang, Xinlong; Li, Baoli","Design and oxidative desulfurization of Ag/Ti heterometallic clusters based on Hard-Soft Acid-Base principle.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02387g","","x-ray","0.71073","MoKα","K-L~3~","0.2313","0.1151","","","0.2945","0.3961","","","","","","1.023","","","","has coordinates,has disorder","287662","2023-11-17","00:03:59",""
"7714489","12.4087","0.0019","14.508","0.003","20.709","0.004","103.505","0.009","101.189","0.008","101.414","0.008","3438.6","1.1","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C140 H120 Ag4 O36 P4 Ti4 -","- C140 H120 Ag4 O36 P4 Ti4 -","- C140 H120 Ag4 O36 P4 Ti4 -","1","0.5","","Yang, Shuyi; Fu, Yaomei; Tian, Yiran; Zhao, Liang; Wang, Xinlong; Li, Baoli","Design and oxidative desulfurization of Ag/Ti heterometallic clusters based on Hard-Soft Acid-Base principle.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02387g","","","0.71073","MoKα","","0.0968","0.0554","","","0.1272","0.1702","","","","","","1.1873","","","","has coordinates,has disorder","287662","2023-11-17","00:03:59",""
"7714490","15.4431","0.0007","15.2942","0.0006","17.7753","0.0007","90","","104.262","0.001","90","","4068.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H40 Cl2 N2 Ni P2 -","- C47 H40 Cl2 N2 Ni P2 -","- C188 H160 Cl8 N8 Ni4 P8 -","4","1","","Mani, Ganesan; Gupta, Rohit; Kumar, Ashok","Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03163B","","","0.71073","MoKα","","0.0647","0.0405","","","0.0881","0.0989","","","","","","1.019","","","","has coordinates","287663","2023-11-17","00:05:30",""
"7714491","12.2996","0.0013","13.4141","0.0014","14.7999","0.0017","107.311","0.007","108.334","0.007","99.319","0.007","2123.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 N2 Ni P2 -","- C53 H44 N2 Ni P2 -","- C106 H88 N4 Ni2 P4 -","2","1","","Mani, Ganesan; Gupta, Rohit; Kumar, Ashok","Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03163B","","","0.71073","MoKα","","0.1616","0.0714","","","0.1196","0.1613","","","","","","1.011","","","","has coordinates,has disorder","287663","2023-11-17","00:05:30",""
"7714492","12.8416","0.0015","35.708","0.004","13.5064","0.0015","90","","115.652","0.004","90","","5582.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H136 N4 Ni2 P4 -","- C138 H136 N4 Ni2 P4 -","- C276 H272 N8 Ni4 P8 -","2","0.5","","Mani, Ganesan; Gupta, Rohit; Kumar, Ashok","Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03163B","","","0.71073","MoKα","","0.1851","0.0636","","","0.1321","0.1893","","","","","","1.007","","","","has coordinates","287663","2023-11-17","00:05:30",""
"7714493","13.178","0.002","16.184","0.002","17.888","0.003","68.459","0.006","78.918","0.007","70.131","0.006","3327.4","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 N2 Ni P2 -","- C39 H38 N2 Ni P2 -","- C156 H152 N8 Ni4 P8 -","4","2","","Mani, Ganesan; Gupta, Rohit; Kumar, Ashok","Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03163B","","","0.71073","MoKα","","0.0629","0.0392","","","0.096","0.114","","","","","","1.015","","","","has coordinates,has disorder","287663","2023-11-17","00:05:30",""
"7714494","24.594","0.005","9.933","0.002","28.552","0.009","90","","94.19","0.006","90","","6956","3","143","2","143","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C84 H84 N4 Ni2 O P4 -","- C84 H84 N4 Ni2 O P4 -","- C336 H336 N16 Ni8 O4 P16 -","4","0.5","","Mani, Ganesan; Gupta, Rohit; Kumar, Ashok","Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03163B","","","0.71073","MoKα","","0.0351","0.0302","","","0.0767","0.0802","","","","","","1.04","","","","has coordinates","287663","2023-11-17","00:05:30",""
"7714495","10.3594","0.0003","10.2558","0.0002","23.2596","0.0005","90","","95.829","0.002","90","","2458.41","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H76 O10 Sn4 -","- C36 H76 O10 Sn4 -","- C72 H152 O20 Sn8 -","2","0.5","","kumbhare, liladhar B.; Singla, Hardik; Prathap, Anu M. U.; Sawant, Shilpa; Wadawale, A. P.; Ruz, Priyanka; Bahadur, Jitendra","Hydrogen-bonded linear chain assemblies of palladium(II)-selenoether complexes: solid state aggregates as template for nano-structural Pd17Se15 leading to efficient electrocatalytic activity.","Dalton Transactions","2023","","","","","10.1039/D3DT02170J","","x-ray","1.54184","CuKα","","0.0592","0.0532","","","0.1506","0.158","","","","","","1.05","","","","has coordinates,has disorder","287679","2023-11-17","23:57:35",""
"7714496","10.1566","0.0003","10.0994","0.0003","23.0816","0.0006","90","","96.947","0.002","90","","2350.23","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl12 O10 Sn4 -","- C24 H36 Cl12 O10 Sn4 -","- C48 H72 Cl24 O20 Sn8 -","2","0.5","","kumbhare, liladhar B.; Singla, Hardik; Prathap, Anu M. U.; Sawant, Shilpa; Wadawale, A. P.; Ruz, Priyanka; Bahadur, Jitendra","Hydrogen-bonded linear chain assemblies of palladium(II)-selenoether complexes: solid state aggregates as template for nano-structural Pd17Se15 leading to efficient electrocatalytic activity.","Dalton Transactions","2023","","","","","10.1039/D3DT02170J","","x-ray","1.54184","CuKα","","0.066","0.061","","","0.1745","0.1821","","","","","","1.076","","","","has coordinates,has disorder","287679","2023-11-17","23:57:36",""
"7714497","7.6055","0.0002","14.6919","0.0004","14.4987","0.0004","90","","95.022","0.002","90","","1613.85","0.08","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl2 N2 O Pd Se -","- C13 H16 Cl2 N2 O Pd Se -","- C52 H64 Cl8 N8 O4 Pd4 Se4 -","4","1","","kumbhare, liladhar B.; Singla, Hardik; Prathap, Anu M. U.; Sawant, Shilpa; Wadawale, A. P.; Ruz, Priyanka; Bahadur, Jitendra","Hydrogen-bonded linear chain assemblies of palladium(II)-selenoether complexes: solid state aggregates as template for nano-structural Pd17Se15 leading to efficient electrocatalytic activity.","Dalton Transactions","2023","","","","","10.1039/D3DT02170J","","x-ray","0.71073","MoKα","","0.0677","0.0451","","","0.1315","0.1792","","","","","","1.104","","","","has coordinates","287679","2023-11-17","23:57:36",""
"7714498","11.4747","0.0012","10.4829","0.0011","13.1367","0.0013","90","","94.205","0.002","90","","1575.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 F9 N O Sb -","- C2 H3 F9 N O Sb -","- C16 H24 F72 N8 O8 Sb8 -","8","1","","Saal, Thomas; Haiges, Ralf; Christe, Karl O.","Synthesis and characterization of trifluoromethylcarboxonium salts.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02944a","","","0.71073","MoKα","","0.0133","0.0127","","","0.0321","0.0324","","","","","","1.289","","","","has coordinates","287680","2023-11-17","23:58:19",""
"7714499","5.8318","0.0004","6.779","0.0005","10.4261","0.0007","91.694","0.001","90.228","0.001","100.821","0.001","404.66","0.05","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H2 F9 O2 Sb -","- C2 H2 F9 O2 Sb -","- C4 H4 F18 O4 Sb2 -","2","1","","Saal, Thomas; Haiges, Ralf; Christe, Karl O.","Synthesis and characterization of trifluoromethylcarboxonium salts.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02944a","","","0.71073","MoKα","","0.0246","0.0195","","","0.0407","0.0423","","","","","","1.031","","","","has coordinates","287680","2023-11-17","23:58:20",""
"7714500","12.5633","0.0011","32.882","0.003","14.9737","0.0012","90","","107.869","0.003","90","","5887.3","0.9","150","2","149.76","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H62 N6 Ni2 O7 -","- C66 H62 N6 Ni2 O7 -","- C264 H248 N24 Ni8 O28 -","4","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.1125","0.0985","","","0.2226","0.2285","","","","","","1.265","","","","has coordinates,has disorder","289463","2024-02-04","11:44:45",""
"7714501","14.4235","0.0018","16.341","0.002","17.149","0.002","78.062","0.004","78.226","0.004","73.085","0.005","3738.5","0.8","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 N6 Ni2 O7 -","- C76 H66 N6 Ni2 O7 -","- C152 H132 N12 Ni4 O14 -","2","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71076","MoKα","","0.0536","0.0394","","","0.1022","0.1111","","","","","","1.041","","","","has coordinates","289463","2024-02-04","11:44:46",""
"7714502","12.6449","0.0017","13.4163","0.0019","22.2","0.003","87.747","0.004","74.48","0.004","72.929","0.004","3465.8","0.8","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 F6 N6 Ni2 O6 -","- C66 H54 F6 N6 Ni2 O6 -","- C132 H108 F12 N12 Ni4 O12 -","2","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.1437","0.0951","","","0.2434","0.2708","","","","","","1.063","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714503","13.7649","0.0007","13.7918","0.0007","17.4684","0.0009","80.804","0.002","87.163","0.002","80.733","0.002","3229.9","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H60 N10 Ni2 O12 -","- C74 H60 N10 Ni2 O12 -","- C148 H120 N20 Ni4 O24 -","2","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.067","0.048","","","0.0975","0.1115","","","","","","1.086","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714504","14.93","0.003","15.514","0.003","17.571","0.004","98.726","0.007","97.283","0.007","107.756","0.007","3765.8","1.4","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 F10 N6 Ni2 O7 -","- C76 H56 F10 N6 Ni2 O7 -","- C152 H112 F20 N12 Ni4 O14 -","2","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71076","MoKα","","0.0548","0.0375","","","0.0946","0.1022","","","","","","1.035","","","","has coordinates","289463","2024-02-04","11:44:46",""
"7714505","15.0623","0.0012","47.324","0.004","11.6909","0.0008","90","","112.23","0.002","90","","7714","1","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H70 N6 Ni2 O9 -","- C78 H70 N6 Ni2 O9 -","- C312 H280 N24 Ni8 O36 -","4","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71076","MoKα","","0.0922","0.0798","","","0.176","0.1814","","","","","","1.134","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714506","11.431","0.0014","13.7228","0.0016","21.986","0.003","85.922","0.004","74.86","0.005","84.965","0.004","3312.1","0.7","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Cl N7 Ni2 O9 -","- C68 H58 Cl N7 Ni2 O9 -","- C136 H116 Cl2 N14 Ni4 O18 -","2","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.0862","0.0659","","","0.1621","0.1763","","","","","","1.044","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714507","14.0031","0.0012","16.2239","0.0015","17.574","0.0016","75.096","0.003","84.014","0.003","75.408","0.003","3730.5","0.6","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 N12 Ni2 O16 -","- C74 H58 N12 Ni2 O16 -","- C148 H116 N24 Ni4 O32 -","2","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.087","0.058","","","0.1538","0.1799","","","","","","1.016","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714508","12.1166","0.0008","15.1812","0.0011","40.797","0.003","90","","95.998","0.002","90","","7463.3","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H64 F6 N6 Ni2 O7 -","- C78 H64 F6 N6 Ni2 O7 -","- C312 H256 F24 N24 Ni8 O28 -","4","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.0806","0.0661","","","0.1279","0.1328","","","","","","1.137","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714509","38.1705","0.0019","38.1705","0.0019","22.8167","0.001","90","","90","","120","","28790","2","181","2","181","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C68 H66 N6 Ni2 O7 -","- C68 H66 N6 Ni2 O7 -","- C1224 H1188 N108 Ni36 O126 -","18","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.1003","0.0609","","","0.1631","0.1981","","","","","","1.079","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714510","12.3962","0.0003","16.5432","0.0004","17.1649","0.0004","78.352","0.002","83.508","0.002","70.096","0.002","3237.86","0.14","120","0.5","120","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C35 H47 N3 O Zn -","- C35 H47 N3 O Zn -","- C140 H188 N12 O4 Zn4 -","4","2","","Hughes, Jack W. J.; Babula, Dawid J.; Stowers-Veitch, Findlay; Yuan, Kang; Uzelac, Marina; Nichol, Gary S.; Ingleson, Michael J.; Garden, Jennifer A.","NacNac-zinc-pyridonate mediated ε-caprolactone ROP.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03344a","","x-ray","0.71073","MoKα","","0.096","0.0503","","","0.0934","0.101","","","","","","0.915","","","","has coordinates","287695","2023-11-20","23:52:50",""
"7714511","13.2654","0.0006","16.8069","0.0003","21.0819","0.0011","90","","135.126","0.009","90","","3316.2","0.6","120.01","0.11","120.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H46 Cl N3 O Zn -","- C34.5 H46 Cl N3 O Zn -","- C138 H184 Cl4 N12 O4 Zn4 -","4","1","","Hughes, Jack W. J.; Babula, Dawid J.; Stowers-Veitch, Findlay; Yuan, Kang; Uzelac, Marina; Nichol, Gary S.; Ingleson, Michael J.; Garden, Jennifer A.","NacNac-zinc-pyridonate mediated ε-caprolactone ROP.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03344a","","x-ray","0.71073","MoKα","","0.0469","0.0326","","","0.0735","0.0795","","","","","","1.032","","","","has coordinates,has disorder","287695","2023-11-20","23:52:53",""
"7714512","10.3068","0.0002","16.4045","0.0002","16.7884","0.0003","90","","106.654","0.002","90","","2719.48","0.08","100","0.1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H29 N15 O14 V2 -","- C12 H29 N15 O14 V2 -","- C48 H116 N60 O56 V8 -","4","1","","Xie, Zhen-Lang; Zhou, Zhao-Hui","Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","186","195","10.1039/d3dt03445c","","x-ray","1.54184","CuKα","","0.036","0.0326","","","0.0845","0.0866","","","","","","1.049","","","","has coordinates,has disorder","289469","2024-02-04","11:46:08",""
"7714513","10.3231","0.0002","17.2111","0.0003","10.4223","0.0002","90","","101.788","0.002","90","","1812.7","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H20 N10 O12.5 V3 -","- C4 H11 N10 O8.5 V3 -","- C16 H44 N40 O34 V12 -","4","1","","Xie, Zhen-Lang; Zhou, Zhao-Hui","Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","186","195","10.1039/d3dt03445c","","x-ray","1.54184","CuKα","","0.0568","0.0537","","","0.1505","0.1536","","","","","","1.072","","","","has coordinates","289469","2024-02-04","11:46:17",""
"7714514","10.4466","0.0004","10.7317","0.0004","22.6402","0.0006","82.025","0.002","89.802","0.003","78.306","0.003","2460.67","0.15","233","0.1","233","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H53 N25 O26.5 V3 -","- C22 H35 N25 O17.5 V3 -","- C44 H70 N50 O35 V6 -","2","1","","Xie, Zhen-Lang; Zhou, Zhao-Hui","Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","186","195","10.1039/d3dt03445c","","x-ray","1.54184","CuKα","","0.0742","0.0608","","","0.1435","0.1502","","","","","","1.083","","","","has coordinates,has disorder","289469","2024-02-04","11:46:17",""
"7714515","20.3045","0.0001","18.4546","0.0002","26.9082","0.0002","90","","93.638","0.001","90","","10062.5","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H99 K2 N40 O63.5 V8 -","- C40 H59 K2 N40 O43.5 V8 -","- C160 H236 K8 N160 O174 V32 -","4","1","","Xie, Zhen-Lang; Zhou, Zhao-Hui","Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","186","195","10.1039/d3dt03445c","","x-ray","1.54184","CuKα","","0.0557","0.0483","","","0.1365","0.1424","","","","","","1.051","","","","has coordinates,has disorder","289469","2024-02-04","11:46:18",""
"7714516","10.60453","0.00018","18.2772","0.0003","11.2855","0.0002","90","","106.348","0.0018","90","","2098.93","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 N20 O26 V6 -","- C20 H28 N20 O22 V6 -","- C40 H56 N40 O44 V12 -","2","0.5","","Xie, Zhen-Lang; Zhou, Zhao-Hui","Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","186","195","10.1039/d3dt03445c","","x-ray","1.54184","CuKα","","0.033","0.0311","","","0.0796","0.0811","","","","","","1.056","","","","has coordinates","289469","2024-02-04","11:46:27",""
"7714517","16.7596","0.0008","21.3357","0.001","8.6837","0.0004","90","","90","","90","","3105.1","0.3","133","2","133","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H44 Si2 Sn2 -","- C32 H44 Si2 Sn2 -","- C128 H176 Si8 Sn8 -","4","0.5","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André","Bis(tetrelocenes) - fusing tetrelocenes into close proximity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02664g","","","0.71073","MoKα","","0.0114","0.0112","","","0.0303","0.0304","","","","","","1.106","","","","has coordinates","287697","2023-11-20","23:57:14",""
"7714518","17.4066","0.0007","8.758","0.0004","13.1177","0.0006","90","","128.639","0.001","90","","1562","0.12","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H44 Ge4 -","- C32 H44 Ge4 -","- C64 H88 Ge8 -","2","0.5","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André","Bis(tetrelocenes) - fusing tetrelocenes into close proximity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02664g","","","0.71073","MoKα","","0.0237","0.0213","","","0.0434","0.0443","","","","","","1.019","","","","has coordinates","287697","2023-11-20","23:57:15",""
"7714519","17.5006","0.0007","8.6628","0.0003","13.3527","0.0006","90","","130.2","0.002","90","","1546.17","0.12","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H44 Ge2 Si2 -","- C32 H44 Ge2 Si2 -","- C64 H88 Ge4 Si4 -","2","0.5","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André","Bis(tetrelocenes) - fusing tetrelocenes into close proximity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02664g","","","0.71073","MoKα","","0.0143","0.0139","","","0.0371","0.0372","","","","","","1.081","","","","has coordinates","287697","2023-11-20","23:57:15",""
"7714521","14.0056","0.0006","9.5784","0.0004","20.6896","0.0009","90","","96.219","0.002","90","","2759.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 As N Pt -","- C35 H26 As N Pt -","- C140 H104 As4 N4 Pt4 -","4","1","","Jordan, Rose; Maisuls, Ivan; Nair, Shruti Santosh; Dietzek, Benjamin; Strassert, Cristian Alejandro; Klein, Axel","Enhanced luminescence properties through heavy ancillary ligands in [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3","Dalton Transactions","2023","","","","","10.1039/D3DT03225F","","","0.56086","AgKα","","0.0236","0.0211","","","0.0483","0.0495","","","","","","1.058","","","","has coordinates","287714","2023-11-21","23:55:49",""
"7714522","27.2312","0.0016","10.5042","0.0005","26.597","0.002","90","","118.864","0.002","90","","6662.7","0.7","109","2","109","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[Pt(dba)AsPh3] * 0.5 Et2O * 0.5 CHCl3","","- C41.5 H30 As Cl1.5 N O0.5 Pt -","- C41.5 H30 As Cl1.5 N O0.5 Pt -","- C332 H240 As8 Cl12 N8 O4 Pt8 -","8","1","","Jordan, Rose; Maisuls, Ivan; Nair, Shruti Santosh; Dietzek, Benjamin; Strassert, Cristian Alejandro; Klein, Axel","Enhanced luminescence properties through heavy ancillary ligands in [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3","Dalton Transactions","2023","","","","","10.1039/D3DT03225F","","","0.71073","MoKα","","0.0229","0.0199","","","0.0454","0.0464","","","","","","1.018","","","","has coordinates","287714","2023-11-21","23:55:50",""
"7714523","12.5593","0.0016","13.4535","0.0017","19.012","0.002","99.71","0.004","97.164","0.004","90.961","0.005","3139.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Pt(dba)SbPh3]","","- C82 H62 N2 O Pt2 Sb2 -","- C82 H62 N2 O Pt2 Sb2 -","- C164 H124 N4 O2 Pt4 Sb4 -","2","1","","Jordan, Rose; Maisuls, Ivan; Nair, Shruti Santosh; Dietzek, Benjamin; Strassert, Cristian Alejandro; Klein, Axel","Enhanced luminescence properties through heavy ancillary ligands in [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3","Dalton Transactions","2023","","","","","10.1039/D3DT03225F","","","0.71073","MoKα","","0.0215","0.0209","","","0.051","0.0513","","","","","","1.076","","","","has coordinates,has disorder","287714","2023-11-21","23:55:50",""
"7714524","10.1552","0.0006","15.5531","0.0009","17.8316","0.0012","104.044","0.003","97.175","0.003","90.067","0.002","2709.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Pt(PhPyPh)SbPh3]","[Pt(dpp)SbPh3]","","- C35 H26 N Pt Sb -","- C35 H26 N Pt Sb -","- C140 H104 N4 Pt4 Sb4 -","4","2","","Jordan, Rose; Maisuls, Ivan; Nair, Shruti Santosh; Dietzek, Benjamin; Strassert, Cristian Alejandro; Klein, Axel","Enhanced luminescence properties through heavy ancillary ligands in [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3","Dalton Transactions","2023","","","","","10.1039/D3DT03225F","","","0.71073","MoKα","","0.0943","0.075","","","0.1514","0.1606","","","","","","1.097","","","","has coordinates","287714","2023-11-21","23:55:50",""
"7714525","10.3143","0.0001","59.1705","0.0003","21.4898","0.0001","90","","91.04","0.001","90","","13113.1","0.16","123","1","123","1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C90 H44 Ag2 Al2 As4 Cl4 F72 Mo8 O24 P4 -","- C90 H44 Ag2 Al2 As4 Cl4 F72 Mo8 O24 P4 -","- C360 H176 Ag8 Al8 As16 Cl16 F288 Mo32 O96 P16 -","4","1","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","1.54184","CuKα","","0.056","0.0497","","","0.1286","0.1338","","","","","","1.045","","","","has coordinates,has disorder","287764","2023-11-23","23:52:22",""
"7714526","14.0087","0.0001","14.5239","0.0001","18.6817","0.0001","106.09","0.001","101.878","0.001","111.149","0.001","3201.62","0.06","123","0.1","123","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C44.45 H20.9 Ag Al Cl0.9 F36 Mo4 O12 P3.19 Sb0.81 -","- C44.45 H20.9 Ag Al Cl0.9 F36 Mo4 O12 P3.19 Sb0.81 -","- C88.9 H41.8 Ag2 Al2 Cl1.8 F72 Mo8 O24 P6.38 Sb1.62 -","2","1","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","1.54184","CuKα","","0.0255","0.0253","","","0.0635","0.0637","","","","","","1.191","","","","has coordinates,has disorder","287764","2023-11-23","23:52:23",""
"7714527","10.5411","0.0001","29.9273","0.0004","21.4675","0.0003","90","","92.394","0.001","90","","6766.37","0.15","123","1","123","1","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C91 H46 Ag2 Al2 Cl6 F72 Mo8 O24 P4 Sb4 -","- C91 H46 Ag2 Al2 Cl6 F72 Mo8 O24 P4 Sb4 -","- C182 H92 Ag4 Al4 Cl12 F144 Mo16 O48 P8 Sb8 -","2","1","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","0.71073","MoKα","","0.0499","0.0441","","","0.1059","0.11","","","","","","1.055","","","","has coordinates,has disorder","287764","2023-11-23","23:52:23",""
"7714528","16.6487","0.0002","23.0766","0.0002","19.1463","0.0002","90","","111.61","0.001","90","","6838.89","0.13","123.01","0.1","123.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C102 H56 Al2 As3.24 Cu2 F72 Mo8 O24 P4.76 -","- C102 H56 Al2 As3.24 Cu2 F72 Mo8 O24 P4.76 -","- C204 H112 Al4 As6.48 Cu4 F144 Mo16 O48 P9.52 -","2","0.5","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","1.54184","CuKα","","0.0529","0.05","","","0.1346","0.1386","","","","","","1.046","","","","has coordinates,has disorder","287764","2023-11-23","23:52:23",""
"7714529","16.6787","0.0003","23.0865","0.0003","19.1437","0.0003","90","","111.768","0.002","90","","6845.7","0.2","123","0.1","123","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51 H28 Al Cu F36 Mo4 O12 P3.08 Sb0.92 -","- C51 H28 Al Cu F36 Mo4 O12 P3.08 Sb0.92 -","- C204 H112 Al4 Cu4 F144 Mo16 O48 P12.32 Sb3.68 -","4","1","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","0.71073","MoKα","","0.0508","0.0374","","","0.0746","0.0799","","","","","","1.069","","","","has coordinates,has disorder","287764","2023-11-23","23:52:23",""
"7714530","10.29414","0.00007","59.0562","0.0005","21.43082","0.00015","90","","91.1327","0.0006","90","","13026","0.17","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C90 H44 Ag2 Al2 As1.71 Cl4 F72 Mo8 O24 P6.29 -","- C90 H44 Ag2 Al2 As1.71 Cl4 F72 Mo8 O24 P6.29 -","- C360 H176 Ag8 Al8 As6.84 Cl16 F288 Mo32 O96 P25.16 -","4","1","","Shelyganov, Pavel; El Sayed Moussa, Mehdi; Seidl, Michael; Zimmermann, Lisa; Silva, Wagner; Scheer, Manfred","Novel synthetic route towards heteroleptic pnictogen-rich organometallic-inorganic coordination compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03490A","","x-ray","0.71073","MoKα","","0.0598","0.0435","","","0.0929","0.0977","","","","","","1.043","","","","has coordinates,has disorder","287764","2023-11-23","23:52:23",""
"7714531","12.8443","0.0003","13.3701","0.0003","13.9219","0.0003","72.49","0.002","67.577","0.002","67.012","0.002","2001.86","0.09","297.46","0.15","297.46","0.15","","","","","","","","7","P -1","-P 1","2","","","","- C74 H84 Cl2 Cu2 N12 O12 P4 -","- C74 H84 Cl2 Cu2 N12 O12 P4 -","- C74 H84 Cl2 Cu2 N12 O12 P4 -","1","0.5","","Zhang, Rui; He, Li-Hua; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui; Chen, Jing-Lin; Zhao, Feng","Multistimuli-responsive multicolor solid-state luminescence tuned by NH-dependent switchable hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","339","345","10.1039/d3dt03124a","","x-ray","0.71073","MoKα","","0.0557","0.0418","","","0.1291","0.1362","","","","","","1.056","","","","has coordinates,has disorder","289461","2024-02-04","11:43:40",""
"7714532","13.8862","0.0014","14.762","0.0015","20.085","0.002","90","","104.392","0.003","90","","3988","0.7","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 Cl2 Cu2 N12 O12 P4 -","- C72 H84 Cl2 Cu2 N12 O12 P4 -","- C144 H168 Cl4 Cu4 N24 O24 P8 -","2","0.5","","Zhang, Rui; He, Li-Hua; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui; Chen, Jing-Lin; Zhao, Feng","Multistimuli-responsive multicolor solid-state luminescence tuned by NH-dependent switchable hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","339","345","10.1039/d3dt03124a","","","0.71073","MoKα","","0.0927","0.0601","","","0.1649","0.1928","","","","","","1.083","","","","has coordinates","289461","2024-02-04","11:43:41",""
"7714533","10.9861","0.0005","13.98","0.0006","16.0424","0.0007","99.272","0.004","105.477","0.004","96.117","0.004","2314.36","0.19","297","","297","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cl10 Cu2 N12 O8 P4 -","- C72 H76 Cl10 Cu2 N12 O8 P4 -","- C72 H76 Cl10 Cu2 N12 O8 P4 -","1","0.5","","Zhang, Rui; He, Li-Hua; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui; Chen, Jing-Lin; Zhao, Feng","Multistimuli-responsive multicolor solid-state luminescence tuned by NH-dependent switchable hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","339","345","10.1039/d3dt03124a","","x-ray","0.71073","MoKα","","0.1031","0.0876","","","0.2496","0.2737","","","","","","1.0588","","","","has coordinates,has disorder","289461","2024-02-04","11:43:51",""
"7714534","12.878","0.0008","13.4796","0.0008","13.8931","0.0008","72.881","0.002","65.962","0.002","67.54","0.002","2007.8","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H84 Cl2 Cu2 N12 O12 P4 S2 -","- C72 H84 Cl2 Cu2 N12 O12 P4 S2 -","- C72 H84 Cl2 Cu2 N12 O12 P4 S2 -","1","0.5","","Zhang, Rui; He, Li-Hua; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui; Chen, Jing-Lin; Zhao, Feng","Multistimuli-responsive multicolor solid-state luminescence tuned by NH-dependent switchable hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","339","345","10.1039/d3dt03124a","","","0.71073","MoKα","","0.0618","0.0422","","","0.1066","0.1206","","","","","","1.0577","","","","has coordinates,has disorder","289461","2024-02-04","11:43:51",""
"7714540","12.307","0.003","12.149","0.003","13.378","0.002","90","","90","","90","","2000.2","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H26 Cl6 N3 Sb -","- C9 H26 Cl6 N3 Sb -","- C36 H104 Cl24 N12 Sb4 -","4","1","","Wen, Xuemei; Cheng, Juan; Qian, Peiqi; Zhang, Zhizhuan; Zeng, Hongmei; Huang, Ling; Zou, Guohong; Lin, Zhien","Synthesis and structure-dependent optical properties of two new organic-inorganic hybrid antimony(III) chlorides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","260","266","10.1039/d3dt02867d","","","0.71073","MoKα","","0.0616","0.0305","","","0.0511","0.0582","","","","","","1.022","","","","has coordinates","289465","2024-02-04","11:45:02",""
"7714541","11.1146","0.0013","15.0254","0.0015","16.3759","0.0017","113.704","0.003","94.289","0.004","100.504","0.004","2428.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H52 Cl18 N6 Sb4 -","- C18 H52 Cl18 N6 Sb4 -","- C36 H104 Cl36 N12 Sb8 -","2","1","","Wen, Xuemei; Cheng, Juan; Qian, Peiqi; Zhang, Zhizhuan; Zeng, Hongmei; Huang, Ling; Zou, Guohong; Lin, Zhien","Synthesis and structure-dependent optical properties of two new organic-inorganic hybrid antimony(III) chlorides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","260","266","10.1039/d3dt02867d","","","0.71073","MoKα","","0.0702","0.0476","","","0.1112","0.1257","","","","","","1.029","","","","has coordinates","289465","2024-02-04","11:45:02",""
"7714544","8.0598","0.0009","11.6244","0.0012","15.0918","0.0016","78.275","0.0019","79.56","0.0017","72.427","0.0019","1308.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 N8 O43 Tb4 -","- C32 H50 N8 O43 Tb4 -","- C32 H50 N8 O43 Tb4 -","1","0.5","","Wang, Xin; He, Shunsheng; Chen, Jun; Wei, Jiamin; Chen, Chaoyue; Shi, Wenyan; Wu, Dayu; Fu, Lianshe; Yang, Tinghai","A highly efficient lanthanide coordination polymer luminescent material for the multi-task detection of environmental pollutants.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","276","284","10.1039/d3dt03218c","","","0.71073","MoKα","","0.0277","0.0233","","","0.0685","0.0753","","","","","","1.092","","","","has coordinates","289470","2024-02-04","11:46:34",""
"7714545","11.0699","0.0009","11.5878","0.0009","14.7859","0.0012","87.245","0.001","81.827","0.001","79.6","0.001","1846.1","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 N3 O Si Y -","- C36 H52 N3 O Si Y -","- C72 H104 N6 O2 Si2 Y2 -","2","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.1094","0.0512","","","0.11","0.1293","","","","","","0.96","","","","has coordinates","289467","2024-02-04","11:45:38",""
"7714546","12.8562","0.0012","20.653","0.002","14.1698","0.0013","90","","93.444","0.001","90","","3755.6","0.6","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Gd N3 O Si -","- C36 H52 Gd N3 O Si -","- C144 H208 Gd4 N12 O4 Si4 -","4","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.0722","0.0389","","","0.0795","0.0894","","","","","","1.01","","","","has coordinates","289467","2024-02-04","11:45:41",""
"7714547","11.0453","0.0014","11.5867","0.0015","14.7165","0.0019","87.403","0.002","81.877","0.002","79.435","0.002","1832.5","0.4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 N3 O Si Yb -","- C36 H52 N3 O Si Yb -","- C72 H104 N6 O2 Si2 Yb2 -","2","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.0458","0.0345","","","0.0803","0.0845","","","","","","1.016","","","","has coordinates","289467","2024-02-04","11:45:42",""
"7714548","11.017","0.007","11.593","0.007","14.734","0.009","87.665","0.006","82.008","0.015","79.438","0.008","1832","2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Lu N3 O Si -","- C36 H52 Lu N3 O Si -","- C72 H104 Lu2 N6 O2 Si2 -","2","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.0433","0.0334","","","0.0777","0.081","","","","","","1.051","","","","has coordinates","289467","2024-02-04","11:45:42",""
"7714549","14.531","0.004","20.424","0.005","20.587","0.005","117.206","0.003","92.833","0.003","100.856","0.003","5272","2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H150 N9 O3 Si3 Y3 -","- C102 H150 N9 O3 Si3 Y3 -","- C204 H300 N18 O6 Si6 Y6 -","2","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.1958","0.062","","","0.0929","0.125","","","","","","0.95","","","","has coordinates","289467","2024-02-04","11:45:42",""
"7714550","35.524","0.003","22.8423","0.0016","23.6243","0.0016","90","","129.856","0.001","90","","14715.9","1.9","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H100 Gd2 N6 O2 Si2 -","- C68 H100 Gd2 N6 O2 Si2 -","- C544 H800 Gd16 N48 O16 Si16 -","8","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.0811","0.0394","","","0.0774","0.0891","","","","","","1.013","","","","has coordinates,has disorder","289467","2024-02-04","11:45:42",""
"7714551","35.46","0.05","23.07","0.03","23.6","0.03","90","","129.797","0.013","90","","14833","3","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H100 N6 O2 Si2 Yb2 -","- C68 H100 N6 O2 Si2 Yb2 -","- C544 H800 N48 O16 Si16 Yb16 -","8","1","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.0875","0.0435","","","0.1007","0.1158","","","","","","1.029","","","","has coordinates,has disorder","289467","2024-02-04","11:45:42",""
"7714552","35.237","0.009","22.966","0.006","23.494","0.006","90","","129.875","0.003","90","","14591","7","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H50 Lu N3 O Si -","- C34 H50 Lu N3 O Si -","- C544 H800 Lu16 N48 O16 Si16 -","16","2","","Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui","Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","267","275","10.1039/d3dt03374k","","","0.71073","MoKα","","0.1597","0.0761","","","0.1948","0.2396","","","","","","0.991","","","","has coordinates,has disorder","289467","2024-02-04","11:45:42",""
"7714554","16.0437","0.0003","30.6258","0.0007","18.2015","0.0004","90","","97.903","0.002","90","","8858.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H77 B Cl2 Cu4 N4 P4 -","- C92 H77 B Cl2 Cu4 N4 P4 -","- C368 H308 B4 Cl8 Cu16 N16 P16 -","4","1","","Xu, Tingting; Wang, Endong; Liu, Shuai; Wei, Zhezhen; Yin, Peiqun; Sun, Jianan; Xu, Wen Wu; Song, Yongbo","Large-scale synthesis, mechanism, and application of a luminescent copper hydride nanocluster.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02595k","","","1.54186","CuKα","","0.0601","0.046","","","0.1272","0.1364","","","","","","0.799","","","","has coordinates","287821","2023-11-28","00:00:48",""
"7714555","4.80963","0.00005","10.61773","0.00011","24.017","0.0002","90","","90","","90","","1226.48","0.02","292.85","0.1","292.85","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 O3 P S2 -","- C12 H9 O3 P S2 -","- C48 H36 O12 P4 S8 -","4","1","","Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel","A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03153e","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0658","0.066","","","","","","1.047","","","","has coordinates","287822","2023-11-28","00:02:08",""
"7714556","22.0947","0.0005","7.8428","0.0002","7.8758","0.0002","90","","95.283","0.002","90","","1358.96","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 O4 P S2 Zn -","- C12 H9 O4 P S2 Zn -","- C48 H36 O16 P4 S8 Zn4 -","4","1","","Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel","A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03153e","","x-ray","1.54184","CuKα","","0.0451","0.0372","","","0.1223","0.1283","","","","","","1.006","","","","has coordinates,has disorder","287822","2023-11-28","00:02:09",""
"7714557","22.1542","0.0002","7.9359","0.0001","15.11","0.0002","90","","93.846","0.001","90","","2650.56","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co0.5 O4 P S2 -","- C12 H10 Co0.5 O4 P S2 -","- C96 H80 Co4 O32 P8 S16 -","8","2","","Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel","A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03153e","","x-ray","1.54184","CuKα","","0.0723","0.0713","","","0.2195","0.2198","","","","","","1.199","","","","has coordinates,has disorder","287822","2023-11-28","00:02:09",""
"7714558","22.0156","0.0005","7.6616","0.0002","7.5811","0.0002","90","","95.297","0.002","90","","1273.28","0.06","290.15","0.1","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu O4 P S2 -","- C12 H9 Cu O4 P S2 -","- C48 H36 Cu4 O16 P4 S8 -","4","1","","Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel","A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03153e","","","1.54184","CuKα","","0.0608","0.0508","","","0.1436","0.1659","","","","","","1.116","","","","has coordinates,has disorder","287822","2023-11-28","00:02:09",""
"7714559","22.20022","0.00009","8.01328","0.00003","15.22699","0.00007","90","","93.8226","0.0004","90","","2702.8","0.019","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Mn0.5 O4 P S2 -","- C12 H10 Mn0.5 O4 P S2 -","- C96 H80 Mn4 O32 P8 S16 -","8","2","","Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel","A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03153e","","","1.54184","CuKα","","0.0307","0.0307","","","0.0791","0.0791","","","","","","1.148","","","","has coordinates,has disorder","287822","2023-11-28","00:02:09",""
"7714561","18.8039","0.0002","16.2998","0.0002","10.4264","0.0001","90","","90","","90","","3195.69","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H44 O20 Ti2 V4 -","- C17 H44 O20 Ti2 V4 -","- C68 H176 O80 Ti8 V16 -","4","1","","Dagar, Mamta; Dissanyake, D. M. M. Mevan; Kesler, Daniel N.; Corr, Molly; McPherson, Joshua D.; Brennessel, William W.; McKone, James R.; Matson, Ellen M.","Improved solubility of titanium-doped polyoxovanadate charge carriers for symmetric non-aqueous redox flow batteries.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","93","104","10.1039/d3dt03642a","","x-ray","1.54184","CuKα","","0.0547","0.051","","","0.1377","0.1433","","","","","","1.073","","","","has coordinates","289464","2024-02-04","11:44:54",""
"7714567","32.182","0.0009","9.9605","0.0003","25.7143","0.0007","90","","116.405","0.001","90","","7382.8","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H75 D18 F N2 O2 Ti2 -","- C90 H75 D18 F N2 O2 Ti2 -","- C360 H300 D72 F4 N8 O8 Ti8 -","4","0.5","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","1.54178","CuKα","","0.055","0.0517","","","0.148","0.1513","","","","","","1.056","","","","has coordinates","289460","2024-02-04","11:43:10",""
"7714568","10.6861","0.0004","16.556","0.0008","19.224","0.0009","72.239","0.002","80.612","0.002","80.477","0.002","3171.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H76 D6 N2 O2 Ti2 -","- C78 H76 D6 N2 O2 Ti2 -","- C156 H152 D12 N4 O4 Ti4 -","2","1","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","1.54178","CuKα","","0.0373","0.0352","","","0.0968","0.099","","","","","","1.071","","","","has coordinates,has disorder","289460","2024-02-04","11:43:11",""
"7714569","19.3473","0.0004","10.088","0.0002","37.1203","0.0009","90","","91.104","0.001","90","","7243.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H96 N2 O4.5 Zr2 -","- C82 H96 N2 O4.5 Zr2 -","- C328 H384 N8 O18 Zr8 -","4","1","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","1.54178","CuKα","","0.0541","0.0453","","","0.116","0.1239","","","","","","1.011","","","","has coordinates,has disorder","289460","2024-02-04","11:43:11",""
"7714570","11.4505","0.0004","17.7306","0.0004","22.2391","0.0006","105.95","0.001","103.435","0.001","102.207","0.001","4035.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H115 F N2 O4 Zr2 -","- C80 H91 F N2 O4 Zr2 -","- C160 H182 F2 N4 O8 Zr4 -","2","1","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","0.71073","MoKα","","0.0613","0.0428","","","0.0978","0.1079","","","","","","1.014","","","","has coordinates,has disorder","289460","2024-02-04","11:43:11",""
"7714571","12.0624","0.0006","44.306","0.002","15.5799","0.0007","90","","90","","90","","8326.5","0.7","233","2","233.02","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C96 H124 Hf2 N2 O8 -","- C80 H92 Hf2 N2 O4 -","- C320 H368 Hf8 N8 O16 -","4","1","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","1.54178","CuKα","","0.0281","0.0254","","","0.071","0.0716","","","","","","1.036","","","","has coordinates,has disorder","289460","2024-02-04","11:43:11",""
"7714572","18.1231","0.0005","22.0856","0.0006","18.4615","0.0006","90","","99.607","0.001","90","","7285.8","0.4","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H95 F Hf2 N2 O4.5 -","- C80 H91 F Hf2 N2 O4 -","- C320 H364 F4 Hf8 N8 O16 -","4","1","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","1.54178","CuKα","","0.0284","0.0253","","","0.0657","0.0673","","","","","","1.029","","","","has coordinates","289460","2024-02-04","11:43:11",""
"7714580","7.9805","0.0002","5.8498","0.0002","23.4594","0.0007","90","","90.834","0.001","90","","1095.07","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H10 F3 N O3 Sn -","- C8 H10 F3 N O3 Sn -","- C32 H40 F12 N4 O12 Sn4 -","4","2","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0302","0.0279","","","0.0658","0.0668","","","","","","1.032","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714581","13.4115","0.0004","7.5092","0.0002","10.274","0.0003","90","","90","","90","","1034.69","0.05","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H20 F6 N2 O6 Sn -","- C16 H20 F6 N2 O6 Sn -","- C32 H40 F12 N4 O12 Sn2 -","2","0.5","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0181","0.0176","","","0.0459","0.0461","","","","","","1.07","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714582","7.9798","0.0003","5.8516","0.0002","23.4718","0.0009","90","","90.865","0.001","90","","1095.88","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H10 F3 N O3 Sn -","- C8 H10 F3 N O3 Sn -","- C32 H40 F12 N4 O12 Sn4 -","4","2","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0339","0.0321","","","0.0794","0.0803","","","","","","1.028","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714583","13.4225","0.0004","7.5081","0.0002","10.2706","0.0003","90","","90","","90","","1035.05","0.05","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H20 F6 N2 O6 Sn -","- C16 H20 F6 N2 O6 Sn -","- C32 H40 F12 N4 O12 Sn2 -","2","0.5","","Jung, Ahyung; Li, Yang; Ok, Kang Min","Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","105","114","10.1039/d3dt03257d","","","0.71073","MoKα","","0.0257","0.0237","","","0.0587","0.0597","","","","","","1.061","","","","has coordinates","289468","2024-02-04","11:45:55",""
"7714620","2.9064","0.0008","5.4219","0.0005","9.6871","0.0009","90","","94.99","0.012","90","","152.07","0.05","293","2","293","2","","","20000000","","","","","3","P 1 21 1","P 2yb","4","","","","- C2 Na2 O5 -","- C2 Na2 O5 -","- C4 Na4 O10 -","2","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","High-pressure synthesis of acentric sodium pyrocarbonate, Na<sub>2</sub>[C<sub>2</sub>O<sub>5</sub>].","Dalton transactions (Cambridge, England : 2003)","2023","53","1","40","44","10.1039/d3dt03673a","","x-ray","0.2906","","","0.0601","0.0601","","","0.0459","0.0459","","","","1.47","1.47","1.47","","","","has coordinates","289459","2024-02-04","11:42:49",""
"7714621","3.3127","","6.1611","","9.7267","","90","","86.3408","","90","","198.116","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C2 Na2 O5 -","- C2 Na2 O5 -","- C4 Na4 O10 -","2","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","High-pressure synthesis of acentric sodium pyrocarbonate, Na<sub>2</sub>[C<sub>2</sub>O<sub>5</sub>].","Dalton transactions (Cambridge, England : 2003)","2023","53","1","40","44","10.1039/d3dt03673a","","","","","","","","","","","","","","","","","","","","","has coordinates","289459","2024-02-04","11:42:49",""
"7714622","2.9694","","5.4964","","9.7458","","90","","94.9451","","90","","158.469","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C2 Na2 O5 -","- C2 Na2 O5 -","- C4 Na4 O10 -","2","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","High-pressure synthesis of acentric sodium pyrocarbonate, Na<sub>2</sub>[C<sub>2</sub>O<sub>5</sub>].","Dalton transactions (Cambridge, England : 2003)","2023","53","1","40","44","10.1039/d3dt03673a","","","","","","","","","","","","","","","","","","","","","has coordinates","289459","2024-02-04","11:42:49",""
"7714855","10.2042","0.0006","10.2042","0.0006","10.2042","0.0006","90","","90","","90","","1062.52","0.11","296","2","296","2","","","","","","","","3","I m -3","-I 2 2 3","204","","B12 Pt24 Sc5","","- B12 Pt24 Sc5 -","- B12 Pt24 Sc5 -","- B24 Pt48 Sc10 -","2","0.0416667","","Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter F.","Cage compound Sc<sub>5</sub>Pt<sub>24</sub>B<sub>12</sub>: a Pt-stuffed variant of filled skutterudite structure. Electronic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","233","244","10.1039/d3dt02825a","","x-ray","0.71073","MoKα","","0.0227","0.0173","","","0.0266","0.0273","","","","","","1.146","","","","has coordinates","288583","2024-01-01","00:48:09",""
"8107336","11.2532","0.0001","11.2532","0.0001","16.2351","0.0004","90","","90","","90","","2055.92","0.06","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- As10 Ca11 -","- As10 Ca11 -","- As40 Ca44 -","4","0.125","","Hoffmann, Andrea V.; Hlukhyy, Viktor; Fässler, Thomas F.","Crystal structure of undecacalcium decaarsenide, Ca11As10","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","1","3","10.1515/ncrs-2022-0380","","","0.71073","MoKα","","0.0423","0.0347","","","0.0909","0.0931","","","","","","1.133","","","","has coordinates","284431","2023-06-09","07:40:56",""
"8107337","7.4827","0.0005","14.9521","0.001","18.2838","0.0013","90","","99.251","0.001","90","","2019","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 I2 N4 O Zn -","- C17 H16 I2 N4 O Zn -","- C68 H64 I8 N16 O4 Zn4 -","4","1","","Li, Ben; Huang, Yujiao; Qian, Weicheng; Pang, Haixia; Tang, Qiang","Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4- ylmethylene)amino)-1,2-dihydro-3H -pyrazol-3-one-κ2 N: O)zinc(II)], C17H16I2N4OZn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","5","7","10.1515/ncrs-2022-0417","","","0.71073","MoKα","","0.065","0.0404","","","0.0715","0.0787","","","","","","0.91","","","","has coordinates","284440","2023-06-12","06:32:44",""
"8107338","17.3389","0.0007","18.7671","0.0005","19.1454","0.0008","79.6","0.003","68.752","0.004","68.572","0.003","5396.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H90 Cl18 N12 Nd -","- C114 H90 Cl18 N12 Nd -","- C228 H180 Cl36 N24 Nd2 -","2","1","","Liguo, Yang; Xin, Wang; Jiaqi, Fu; Xinyu, Ji","The crystal structure of 5,10,15,20-tetrakis(4-(tert-butyl)phenyl)porphyrin-21,23-diido-κ4 N 4-naphthalocyanido-κ4 N 4-neodymium(IV) - chloroform (1/6) C114H90N12Cl18Nd","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","9","12","10.1515/ncrs-2022-0405","","","1.54184","CuKα","","0.084","0.0722","","","0.1886","0.1979","","","","","","1.04","","","","has coordinates,has disorder","284441","2023-06-12","06:37:44",""
"8107339","13.4072","0.0006","8.6103","0.0005","12.3824","0.0006","90","","100.475","0.004","90","","1405.6","0.12","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br Cl N2 O -","- C14 H12 Br Cl N2 O -","- C56 H48 Br4 Cl4 N8 O4 -","4","1","","Zhu, Zhihong; Zhang, Lilei","The crystal structure of 1-(4-bromophenyl)-3-(2-chlorobenzyl)urea, C14H12BrClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","13","14","10.1515/ncrs-2022-0456","","","0.71073","MoKα","","0.1042","0.0499","","","0.0978","0.1215","","","","","","1.035","","","","has coordinates","284442","2023-06-12","06:40:32",""
"8107340","9.6272","0.0001","12.1043","0.0002","13.3584","0.0002","82.296","0.001","86.611","0.001","66.912","0.001","1419.02","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 N2 S4 Sn -","- C26 H38 N2 S4 Sn -","- C52 H76 N4 S8 Sn2 -","2","1","","Abd Aziz, Nurul Amalina; Awang, Normah; Chan, Kok Meng; Kamaludin, Nurul Farahana; Mohamad Anuar, Nur Najmi; Jamaludin, Nur Atiyah Nadhrah; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of bis[benzyl(methyl)carbamodithioato-κ 2 S,S′]-di-n-butyltin(IV), C26H38N2S4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","15","18","10.1515/ncrs-2022-0472","","","1.54184","CuKα","","0.0235","0.0235","","","0.0612","0.0612","","","","","","1.12","","","","has coordinates","284443","2023-06-12","06:43:58",""
"8107341","11.2654","0.0015","21.63","0.003","12.2868","0.0017","90","","111.422","0.003","90","","2787.1","0.7","198","2","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 N2 O6 S -","- C27 H40 N2 O6 S -","- C108 H160 N8 O24 S4 -","4","1","","Zhao, Wen-Ze","Crystal structure of (E)-3-(2-(4-(diethylamino)-2-hydroxystyryl)-3,3-dimethyl-3H-indol-1-ium-1-yl)propane-1-sulfonate – methanol (1/2), C25H32N2O4S⋅2CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","19","21","10.1515/ncrs-2022-0436","","","0.71073","MoKα","","0.0594","0.0493","","","0.1245","0.1313","","","","","","1.06","","","","has coordinates","284444","2023-06-12","06:47:02",""
"8107342","10.8014","0.0002","10.8211","0.0002","13.453","0.0003","100.308","0.001","113.075","0.001","99.989","0.001","1370.76","0.05","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cu N4 O6 -","- C30 H24 Cu N4 O6 -","- C60 H48 Cu2 N8 O12 -","2","1","","Cai, Jie-Qiong","Synthesis and crystal structure of {(N′,N″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methaneylylidene))bis(2-hydroxybenzohydrazonato)-κ6 N 2 O 4}copper(II), C30H24CuN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","23","25","10.1515/ncrs-2022-0407","","","0.71073","MoKα","","0.0645","0.0365","","","0.0851","0.0937","","","","","","0.964","","","","has coordinates","284445","2023-06-12","07:27:41",""
"8107343","8.9193","0.0014","9.2271","0.0015","17.933","0.003","103.574","0.002","91.518","0.002","98.762","0.002","1414.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Br2 Mn N5 O4 -","- C28 H21 Br2 Mn N5 O4 -","- C56 H42 Br4 Mn2 N10 O8 -","2","1","","Li, Ting; Qiu, Keying; Tan, Yuxing; Jiang, Wujiu","The crystal structure of ((E)-2,4-dibromo-6-(((5-(nitro)-2-oxidophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Br2MnN5O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","27","29","10.1515/ncrs-2022-0425","","","0.71073","MoKα","","0.05","0.0347","","","0.0793","0.0864","","","","","","1.027","","","","has coordinates","284446","2023-06-12","07:31:11",""
"8107344","10.5758","0.001","12.3659","0.0009","18.0301","0.0016","90","","90","","90","","2358","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-10,13-dimethyl-3- (<i>p</i>-tolylamino)hexadecahydro-1<i>H</i>-cyclopenta [<i>α</i>] phenanthren-17-yl)ethan-1-one","","- C28 H41 N O -","- C28 H41 N O -","- C112 H164 N4 O4 -","4","1","","Huang, Hua; Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang","Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylamino)hexadecahydro-1H-cyclopenta-[a]phenanthren-17-yl)ethan-1-one, C28H41NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","31","33","10.1515/ncrs-2022-0455","","","0.71073","MoKα","","0.1331","0.0524","","","0.0967","0.122","","","","","","0.997","","","","has coordinates","284447","2023-06-12","07:47:40",""
"8107345","10.7017","0.0007","7.124","0.0005","19.0878","0.0013","90","","99.28","0.003","90","","1436.19","0.17","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C52 H40 N16 O28 -","4","1","","Jiang, Cheng-Jun; Cheng, Die; Xia, Ying-Fan; Zhang, Jia-rong; Lin, Shu-ting","The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid—pyrazine-2-carboxamide(1/1), C13H10N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","35","37","10.1515/ncrs-2022-0462","","","0.71073","MoKα","","0.0666","0.0586","","","0.1638","0.1746","","","","","","1.047","","","","has coordinates","284448","2023-06-12","07:54:39",""
"8107346","9.457","0.006","9.482","0.004","11.013","0.004","75.87","0.04","89.853","0.012","62.786","0.011","844.8","0.7","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","[SmCu(C6N2H5O2)2(C2O4)]n","","","- C14 H10 Cu N4 O8 Sm -","- C14 H10 Cu N4 O8 Sm -","- C28 H20 Cu2 N8 O16 Sm2 -","2","1","","Zhou, Wei-Wei; Zhao, Wang; Wang, Jing; Song, Ming-Jun","Crystal structure of poly[tetrakis(μ3-2-aminonicotinato-κ3N,O,O′)-(μ2-oxalato-κ4 O,O′:O″,O′″)-(μ4-oxalato-κ6 N:N′:O,O′:O″,O′″)dicopper(I)-disamarium(III)], [SmCu(C6N2H5O2)2(C2O4)] n","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","39","41","10.1515/ncrs-2022-0370","","","0.71073","MoKα","","0.0349","0.0292","","","0.0656","0.0691","","","","","","1.131","","","","has coordinates","284449","2023-06-12","08:01:24",""
"8107347","6.9878","0.0009","7.0956","0.0008","13.8113","0.0015","88.745","0.005","87.764","0.005","75.785","0.005","663.27","0.14","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C24 H26 N6 O14 -","2","1","","Jiang, Cheng-Jun; Wang, Zhi-Hua; Xia, Ying-Fan; Li, Chao-Feng; Lin, Shu-ting; Zhang, Jia-rong","The crystal structure of 2,3,4-trihydroxybenzoic- acid—pyrazine-2-carboxamide—water (1/1/1), C12H13N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","43","44","10.1515/ncrs-2022-0464","","","0.71073","MoKα","","0.0636","0.0455","","","0.1146","0.1264","","","","","","1.048","","","","has coordinates","284450","2023-06-12","09:09:58",""
"8107348","4.61919","0.00004","29.1507","0.0003","11.27803","0.0001","90","","94.4768","0.0008","90","","1513.98","0.02","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F3 N3 S -","- C14 H18 F3 N3 S -","- C56 H72 F12 N12 S4 -","4","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Shaalan, Nora H.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","45","47","10.1515/ncrs-2022-0450","","x-ray","1.54184","CuKα","","0.0603","0.0588","","","0.1564","0.1579","","","","","","1.044","","","","has coordinates,has disorder","284451","2023-06-12","09:14:12",""
"8107349","7.304","0.003","14.83","0.007","16.482","0.007","90","","98.202","0.012","90","","1767","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 I N4 -","- C20 H17 I N4 -","- C80 H68 I4 N16 -","4","1","","Lee, Hon Man; Hung, Hsiu-Yu","The crystal structure of 3-anilino-1,4-diphenyl-4H-1,2,4-triazol-1-ium iodide, C20H17N4I","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","49","50","10.1515/ncrs-2022-0437","","x-ray","0.71073","MoKα","","0.1221","0.0568","","","0.1061","0.1359","","","","","","0.978","","","","has coordinates","284452","2023-06-12","09:17:20",""
"8107350","10.1386","0.0006","12.1155","0.0008","14.1972","0.0008","100.297","0.002","98.411","0.002","112.774","0.003","1536.78","0.17","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Cl Cu N7 O7 -","- C31 H28 Cl Cu N7 O7 -","- C62 H56 Cl2 Cu2 N14 O14 -","2","1","","Li, Ji; Miao, Mingzhi","The crystal structure of (tris(2-benzimidazolylmethyl)amine)-benzoato-copper(II) perchlorate monohydrate, CuC31H28N7O7Cl","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","51","53","10.1515/ncrs-2022-0426","","","1.34139","GaKα","","0.0911","0.0613","","","0.137","0.1519","","","","","","1.1","","","","has coordinates","284453","2023-06-12","09:19:59",""
"8107351","10.848","0.0009","11.3511","0.0011","11.4109","0.0012","114.431","0.003","96.994","0.002","108.207","0.003","1162.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","complex1","","","- C26 H22 O3 Sn -","- C26 H22 O3 Sn -","- C52 H44 O6 Sn2 -","2","1","","Zhang, Shaoliang; Li, Shanshan","Crystal structure of [2-hydroxy-3-methyl-benzoato-k1 O-triphenyltin(IV)], C26H22O3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","55","56","10.1515/ncrs-2022-0420","","","0.71073","MoKα","","0.0488","0.0357","","","0.0636","0.0667","","","","","","1.09","","","","has coordinates","284454","2023-06-12","09:23:07",""
"8107352","12.152","0.002","5.0051","0.0008","27.273","0.005","90","","101.536","0.007","90","","1625.3","0.5","296","1","296","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H18 O8 Zn -","- C16 H18 O8 Zn -","- C64 H72 O32 Zn4 -","4","0.5","","Huang, Yujiao; Li, Ben; Miao, Siyi; Luo, Linhui; Pang, Haixia; Tang, Qiang","Crystal structure of diaqua-bis(4-(hydroxymethyl)-benzoato-k1 O)zinc(II), C16H18O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","57","59","10.1515/ncrs-2022-0428","","","0.71073","MoKα","","0.0865","0.0516","","","0.125","0.1428","","","","","","0.999","","","","has coordinates","284456","2023-06-13","07:41:27",""
"8107353","14.1998","0.0009","3.6516","0.0002","17.7458","0.0011","90","","92.801","0.002","90","","919.06","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N2 O4 Rh -","- C8 H5 N2 O4 Rh -","- C32 H20 N8 O16 Rh4 -","4","1","","Elmakki, Mohammed A.; Gafoor, Wesley Abdul; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","The crystal structure of dicarbonyl-(N-nitroso-N-oxido-phenylamine-κ 2 O,O)-rhodium(I), C8H5N2O4Rh","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","61","63","10.1515/ncrs-2022-0488","","","0.71073","MoKα","","0.031","0.0281","","","0.0682","0.0702","","","","","","1.116","","","","has coordinates","284457","2023-06-13","07:45:26",""
"8107354","3.8981","0.0003","16.0675","0.0011","16.2908","0.001","90","","94.537","0.003","90","","1017.14","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O8 -","- C20 H24 N2 O8 -","- C40 H48 N4 O16 -","2","0.5","","Xia, Ying-Fan; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun","The crystal structure of oxalic acid – 2-ethoxybenzamide (2/1), C20H24N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","65","67","10.1515/ncrs-2022-0493","","","1.34138","GaKα","","0.0795","0.0634","","","0.1638","0.1746","","","","","","1.091","","","","has coordinates","284458","2023-06-13","07:49:17",""
"8107355","8.0501","0.0016","8.6163","0.0017","9.6654","0.0019","69.74","0.03","75.79","0.03","87.43","0.03","609.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N5 O2 -","- C10 H15 N5 O2 -","- C20 H30 N10 O4 -","2","1","","Wang, Wenxiang; Mou, Jiahui; Sun, Yue","The crystal structure of ethyl 7-ethyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C10H15N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","69","70","10.1515/ncrs-2022-0471","","","0.71073","MoKα","","0.1058","0.0593","","","0.1407","0.163","","","","","","1.05","","","","has coordinates","284459","2023-06-13","07:52:14",""
"8107356","8.1501","0.0005","10.8198","0.0007","15.2391","0.0009","90","","91.921","0.005","90","","1343.07","0.14","292.99","0.1","292.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Mn N2 O7 -","- C11 H10 Mn N2 O7 -","- C44 H40 Mn4 N8 O28 -","4","1","","Shi, Xiao-Ming; Fu, Yu-Jia; Zhang, Zhi-Chao","Crystal structure of poly[(N,N-dimethylacetamide-κO) (μ4-2-nitroisophthalato-κ 4 O:O′:O″:O′″)manganese(II)], C11H10N2O7Mn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","71","73","10.1515/ncrs-2022-0478","","x-ray","0.71073","MoKα","","0.0492","0.0363","","","0.0703","0.0783","","","","","","1.053","","","","has coordinates","284460","2023-06-13","07:57:49",""
"8107357","8.2437","0.0001","13.1867","0.0002","22.849","0.0004","90","","90","","90","","2483.85","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O8 -","- C26 H41 N O8 -","- C104 H164 N4 O32 -","4","1","","Liu, Huan-Ni; Hao, Yi-Kun; Chen, Neng-Hua; Li, Lai-Ming","Crystal structure of 14-O-acetyldelcosine, C26H41NO8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","75","77","10.1515/ncrs-2022-0501","","x-ray","1.54184","CuKα","","0.0364","0.0357","","","0.0969","0.0975","","","","","","1.09","","","","has coordinates","284461","2023-06-13","08:01:00",""
"8107358","11.4994","0.0009","13.1171","0.001","13.0233","0.001","90","","109.126","0.008","90","","1856","0.3","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cd Cl N2 O5 -","- C20 H13 Cd Cl N2 O5 -","- C80 H52 Cd4 Cl4 N8 O20 -","4","1","","Huang, Guang","The crystal structure of poly[(1,10-phenanthroline-κ2 N,N′)-(μ 4-2-chlorobenzene-1,3-dicarboxylato-κ5 O:O′:O″:O‴) cadmium(II)] monohydrate, C20H13CdClN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","79","81","10.1515/ncrs-2022-0492","","x-ray","0.71073","MoKα","","0.0447","0.0341","","","0.0712","0.0779","","","","","","1.069","","","","has coordinates","284463","2023-06-15","07:15:07",""
"8107359","16.9196","0.0012","16.9196","0.0012","9.4187","0.0008","90","","90","","90","","2696.3","0.4","173","2","173","2","","","","","","","","4","I 4","I 4","79","","","","- C27 H26 P2 S2 -","- C27 H26 P2 S2 -","- C108 H104 P8 S8 -","4","0.5","","Tapala, Kgaugelo C.; Clayton, Hadley S.","Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","83","85","10.1515/ncrs-2022-0496","","x-ray","0.71073","MoKα","","0.0463","0.0341","","","0.0687","0.0726","","","","","","1.024","","","","has coordinates","284464","2023-06-15","07:18:08",""
"8107360","8.25","0.005","12.289","0.01","20.954","0.014","82.36","0.02","81.977","0.014","86.96","0.02","2084","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Br4 N8 O4 Zn -","- C32 H54 Br4 N8 O4 Zn -","- C64 H108 Br8 N16 O8 Zn2 -","2","1","","Zhang, Shi-Lin","Crystal structure of bis{[(4-diethylamino-2-hydroxy-benzylidene)-hydrazinocarbonylmethyl]-trimethylammonium} tetrabromozincate, C32H54N8O4ZnBr4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","87","89","10.1515/ncrs-2022-0482","","","0.71073","MoKα","","0.0962","0.0525","","","0.1205","0.1419","","","","","","1.021","","","","has coordinates","284465","2023-06-15","07:21:04",""
"8107361","29.4446","0.0006","12.4393","0.0003","14.9807","0.0003","90","","90.39","0.001","90","","5486.9","0.2","100","2","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl 2,2'-((2,5-bis(4-hydroxyphenyl)-2,5-dihydrofuran-3,4-diyl)dibenzoate","","- C34 H30 O7 -","- C34 H30 O7 -","- C272 H240 O56 -","8","1","","Low, Yun-Yee; Lim, Siew-Huah","Synthesis and crystal structure of dimethyl 2,2′-(2,5-bis(4-hydroxyphenyl)-2,5-dihydrofuran-3,4-diyl)dibenzoate, C34H30O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","91","93","10.1515/ncrs-2022-0469","","","0.71073","MoKα","","0.0662","0.0408","","","0.0887","0.1023","","","","","","1.009","","","","has coordinates","284466","2023-06-15","07:24:12",""
"8107362","9.2911","0.0015","17.525","0.003","8.5586","0.0015","90","","109.358","0.007","90","","1314.8","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","1","","Liu, Feng; Liu, Yi; Chen, Yang; Yan, Xiaolong; Xiao, Tao","Synthesis and crystal structure of 2-(2-oxo-2-phenylethyl)-4H-chromen-4-one, C17H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","95","96","10.1515/ncrs-2022-0475","","","0.71073","MoKα","","0.0799","0.055","","","0.1582","0.1789","","","","","","1.005","","","","has coordinates","284467","2023-06-15","07:32:45",""
"8107363","9.5397","0.0004","10.2457","0.0004","11.092","0.0004","92.848","0.001","110.314","0.001","94.421","0.001","1010.29","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N8 O6 V2 Zn -","- C12 H16 N8 O6 V2 Zn -","- C24 H32 N16 O12 V4 Zn2 -","2","1","","Huo, Yueyang; Fu, Shiqi; Shi, Yanqi; Duan, Yingying; Zhang, Meiyu","The crystal structure of tetra(imidazole-κ1 N)zinc(II) μ2-oxido-hexaoxido-divanadium(VI) C12H16N8O6V2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","97","99","10.1515/ncrs-2022-0476","","","0.71073","MoKα","","0.0433","0.0358","","","0.0885","0.0932","","","","","","1.041","","","","has coordinates","284468","2023-06-15","07:34:55",""
"8107364","12.8878","0.0005","27.5641","0.0011","13.0517","0.0006","90","","111.908","0.002","90","","4301.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","S-2-(1-(5-methylpyridin-2-ylamino)octyl)-3-hydroxynaphthalene-1,4-dione","","- C48 H56 N4 O6 -","- C48 H56 N4 O6 -","- C192 H224 N16 O24 -","4","1","","Chen, Qing-Gang; Wan, Wei; Peng, Guo-Ying; Huang, Chang-gan","Crystal structure of S-2-(1-(5-methylpyridin-2-ylamino)octyl)-3-hydroxynaphthalene-1,4-dione, C24H28N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","101","103","10.1515/ncrs-2022-0447","","","1.54184","CuKα","","0.0887","0.0576","","","0.149","0.1749","","","","","","1.096","","","","has coordinates,has disorder","284469","2023-06-15","07:38:49",""
"8107365","15.937","0.004","16.805","0.004","27.463","0.007","90","","94.613","0.003","90","","7331","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H65 Cl2 N13 Ni3 O9 -","- C76 H65 Cl2 N13 Ni3 O9 -","- C304 H260 Cl8 N52 Ni12 O36 -","4","1","","Zhongyuan, Zhou; Liguo, Yang; Kun, Zou; Jiaqi, Fu; Xinyu, Ji","Crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxido-2-oxo-2-phenylethylidene)-benzohydrazonato-κ5 N,O,O′:N′,O′′)-oktakis(pyridine-κ1 N)trinickel(II) – methanol – pyridine (1/1/1) C76H65N13Cl2Ni3O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","105","108","10.1515/ncrs-2022-0424","","","0.71073","MoKα","","0.0787","0.049","","","0.1385","0.1596","","","","","","0.997","","","","has coordinates","284470","2023-06-15","07:43:18",""
"8107366","11.0571","0.0002","8.1172","0.0002","17.608","0.0004","90","","90","","90","","1580.37","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,5-diamino-benzoic-acid-methyl-ester","Methyl-3,5-diaminobenzoate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","","Gardiner, John M.; Raftery, James; Beadham, Ian G.; Azarah, Jannat N.; Abu-Foul, Mohammed Y.; Awadallah, Adel M.; Morjan, Rami Y.","The crystal structure of methyl 3,5-diaminobenzoate, C8H10N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","109","110","10.1515/ncrs-2022-0485","","","1.54178","CuKα","","0.037","0.0324","","","0.0842","0.0872","","","","","","1.06","","","","has coordinates","284471","2023-06-15","07:45:45",""
"8107367","9.8945","0.0006","8.1838","0.0005","12.2042","0.0007","90","","107.539","0.006","90","","942.29","0.1","149.99","0.1","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H17 N O -","- C27 H17 N O -","- C54 H34 N2 O2 -","2","1","","Li, Yunlu; Wang, Xinzhong","Crystal structure of 10-(9H-carbazol-9-yl)-5H-dibenzo[a,d][7]annelen-5-one, C27H17NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","111","112","10.1515/ncrs-2022-0495","","","0.71073","MoKα","","0.0329","0.0306","","","0.068","0.0698","","","","","","1.052","","","","has coordinates","284472","2023-06-15","07:49:09",""
"8107368","7.9179","0.0007","10.1982","0.0009","10.4144","0.0008","76.184","0.007","87.09","0.007","73.5","0.008","782.86","0.12","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C32 H40 N4 O10 -","2","1","","Abdul Rashid, Fatin Nur Ain; Bacho, Muhamad Zulfaqar; Slawin, Alexandra M. Z.; Abdul Manan, Mohd Abdul Fatah; Johari, Saiful Azmi; Mohammat, Mohd Fazli","Crystal structure of ethyl 1-(2-hydroxyethyl)-4-((4-methoxyphenyl)amino)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, C16H20N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","113","115","10.1515/ncrs-2022-0497","","","0.71073","MoKα","","0.0478","0.0458","","","0.1301","0.1333","","","","","","1.068","","","","has coordinates","284473","2023-06-15","07:52:04",""
"8107369","12.9782","0.0008","9.1447","0.0006","11.8842","0.0008","90","","98.214","0.006","90","","1395.97","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Br N2 O -","- C14 H19 Br N2 O -","- C56 H76 Br4 N8 O4 -","4","1","","Gao, Kai; Zha, Su-E.; Liu, Chang-Ying; Wang, Qiao-Juan; Wang, Er-Qiang","The crystal structure of 1-(4-bromophenyl)-3-cycloheptylurea, C14H19BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","117","118","10.1515/ncrs-2022-0486","","","0.71073","MoKα","","0.1202","0.0637","","","0.1569","0.1876","","","","","","1.025","","","","has coordinates","284474","2023-06-15","07:57:32",""
"8107370","8.7261","0.0002","11.1827","0.0003","13.8599","0.0004","112.78","0.001","102.541","0.001","93.834","0.001","1199.98","0.06","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H72 Al2 B2 O4 -","- C50 H72 Al2 B2 O4 -","- C50 H72 Al2 B2 O4 -","1","0.5","","Wang, Bing; Hu, Bo-Han; Wu, Di","The crystal structure of 1,4-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3,6-bis ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-1,4-dialuminacyclohexane – benzene (1/2), C50H72Al2B2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","119","121","10.1515/ncrs-2022-0508","","","0.71073","MoKα","","0.0412","0.0365","","","0.0995","0.1037","","","","","","1.029","","","","has coordinates","284475","2023-06-15","08:38:50",""
"8107371","13.8254","0.0006","14.1283","0.0006","15.194","0.0007","112.571","0.001","104.707","0.001","104.433","0.001","2442.88","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H100 Cu2 O18 P8 Sn2 -","- C104 H100 Cu2 O18 P8 Sn2 -","- C104 H100 Cu2 O18 P8 Sn2 -","1","0.5","","Xiaolin, Sun; Yuhua, Guo; Youzhu, Yu","Crystal structure of bis(μ 3-diphenylphosphinato)-tetrakis(μ 2-diphenylphosphinato)-bis(diphenylphosphinato)-bis(μ 2-hydroxo)dicopper(II)-ditin(IV), C104H100O18P8Cu2Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","123","125","10.1515/ncrs-2022-0498","","","0.71073","MoKα","","0.0322","0.0256","","","0.0751","0.0955","","","","","","1.107","","","","has coordinates","284476","2023-06-15","08:41:32",""
"8107372","6.974","0.003","8.132","0.003","12.349","0.005","86.123","0.004","78.299","0.004","85.715","0.004","682.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-((3,4-dichloroisothiazol-5-yl)methoxy)benzo[d]isothiazole-1,1-dioxide","","- C11 H6 Cl2 N2 O3 S2 -","- C11 H6 Cl2 N2 O3 S2 -","- C22 H12 Cl4 N4 O6 S4 -","2","1","","Cong, Huang; Shu-Zhen, Xiao; Liang, Zhong; Shang-Xing, Chen; Da-Yong, Peng","Crystal structure of 3-((3,4-dichloroisothiazol-5-yl)methoxy)benzo[d] isothiazole 1,1-dioxide, C11H6Cl2N2O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","127","128","10.1515/ncrs-2022-0509","","","0.71073","MoKα","","0.0447","0.041","","","0.1023","0.1058","","","","","","1.042","","","","has coordinates","284477","2023-06-15","08:48:01",""
"8107373","9.1987","0.0002","17.5458","0.0003","8.5802","0.0002","90","","108.193","0.003","90","","1315.6","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F O3 -","- C17 H11 F O3 -","- C68 H44 F4 O12 -","4","1","","Liu, Yi; Liu, Feng; Chen, Yang; Yan, Xiaolong; Xiao, Tao","Synthesis and crystal structure of 2-(2-(2-fluorophenyl)-2-oxoethyl)-4H-chromen-4-one, C17H11FO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","129","131","10.1515/ncrs-2022-0490","","","1.54178","CuKα","","0.0406","0.0346","","","0.111","0.1196","","","","","","1.001","","","","has coordinates","284478","2023-06-15","08:51:31",""
"8107374","11.317","0.0005","16.1774","0.0008","15.217","0.0007","90","","92.933","0.001","90","","2782.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Fe2 O5 P S2 -","- C27 H23 Fe2 O5 P S2 -","- C108 H92 Fe8 O20 P4 S8 -","4","1","","Wu, Ming-Gang; Liu, Xu-Feng","The crystal structure of tris(carbonyl)-bis(carbonyl)-[μ-propane-1,2- dithiolato]-(benzyldiphenylphosphine)diiron (Fe—Fe), C27H23Fe2O5PS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","133","135","10.1515/ncrs-2022-0520","","","0.71073","MoKα","","0.0715","0.0537","","","0.1537","0.1636","","","","","","1.095","","","","has coordinates","284479","2023-06-15","08:54:47",""
"8107375","7.609","0.002","9.287","0.003","13.511","0.004","90.53","0.007","102.028","0.005","97.774","0.006","924.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N4 O4 -","- C16 H23 Cl N4 O4 -","- C32 H46 Cl2 N8 O8 -","2","1","","Wang, Hua; Zhang, Guo-tao; Li, Hong-ya","Crystal structure of 1-(2-(4-chlorophenethyl)-2-hydroxy-3,3-dimethylbutyl)-1H-1,2,4-triazol-4-ium nitrate, C16H23N4O4Cl","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","137","139","10.1515/ncrs-2022-0512","","","0.71073","MoKα","","0.1375","0.0625","","","0.131","0.1634","","","","","","0.946","","","","has coordinates","284480","2023-06-15","08:58:13",""
"8107376","7.4377","0.0005","7.5032","0.0005","10.0964","0.0006","91.481","0.005","108.906","0.005","110.678","0.006","492.41","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","'3,3'-disulfanediyldi(1H-1,2,4-triazol-5-amine) monohydrate'","'3,3'-disulfanediyldi(1H-1,2,4-triazol-5-amine) monohydrate'","","- C4 H8 N8 O S2 -","- C4 H8 N8 O S2 -","- C8 H16 N16 O2 S4 -","2","1","","Khayrullaev, Giyosiddin; Torambetov, Batirbay; Kadirova, Shakhnoza; Vaksler, Yevhenii","The crystal structure of 3,3′-disulfanediyldi(1H-1,2,4-triazol-5-amine) monohydrate, C4H8N8OS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","141","144","10.1515/ncrs-2022-0519","","x-ray","0.71073","MoKα","","0.0759","0.0653","","","0.1703","0.1888","","","","","","1.054","","","","has coordinates","284707","2023-06-29","16:16:33",""
"8107377","13.7308","0.0006","13.7308","0.0006","15.1806","0.0007","90","","90","","90","","2862.1","0.2","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","0.5","","Kukovec, Boris-Marko; Sokol, Vesna; Popović, Zora","The crystal structure of trans-[bis(4-methylpyridine-κN)bis(quinoline-2-carboxylato- κ 2 N,O)cadmium(II)], C32H26CdN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","145","147","10.1515/ncrs-2022-0515","","","0.71073","MoKα","","0.0674","0.0359","","","0.0639","0.0693","","","","","","0.916","","","","has coordinates,has disorder","284482","2023-06-15","09:03:35",""
"8107378","11.0746","0.0018","11.4312","0.0017","11.552","0.002","77.148","0.008","62.164","0.008","67.858","0.008","1195.9","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O7 -","- C28 H28 O7 -","- C56 H56 O14 -","2","1","","Shin, Soon Young; Lee, Ha-Jin; Koh, Dongsoo","The crystal structure of ethyl 2′-hydroxy-4′,6′-dimethoxy-3-(4-methoxynaphthalen-1-yl)-5-oxo-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxylate, C28H28O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","149","151","10.1515/ncrs-2022-0517","","","0.71073","MoKα","","0.0932","0.0522","","","0.1477","0.1862","","","","","","1.081","","","","has coordinates","284483","2023-06-15","09:07:04",""
"8107379","17.0097","0.001","4.4625","0.0003","22.952","0.0019","90","","102.933","0.007","90","","1698","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 2-((4-chloro-2-fluoro-6-((2,2,2-trifluoroethyl)thio)phe-noxy)methyl) benzoate","","- C17 H13 Cl F4 O3 S -","- C17 H13 Cl F4 O3 S -","- C68 H52 Cl4 F16 O12 S4 -","4","1","","Liu, Dongdong; Zhang, Lixin; Zhang, Jing","The crystal structure of methyl 2-((4-chloro-2-fluoro-6-((2,2,2-trifluoroethyl) thio)phenoxy)methyl)benzoate, C17H13ClF4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","153","155","10.1515/ncrs-2022-0438","","x-ray","1.54184","CuKα","","0.0932","0.0606","","","0.1344","0.1605","","","","","","1.0495","","","","has coordinates","284484","2023-06-15","09:27:45",""
"8107380","7.5531","0.0002","9.3964","0.0003","9.5089","0.0003","61.833","0.001","68.623","0.001","86.575","0.001","548.8","0.03","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H14 O6 -","- C10 H14 O6 -","- C20 H28 O12 -","2","1","","Huang, Li-Ming; Xia, Ying-Fan; Wang, Hai-Bin; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun","The crystal structure of 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic monohydrate, C10H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","157","158","10.1515/ncrs-2022-0507","","","0.71073","MoKα","","0.0508","0.0485","","","0.141","0.1438","","","","","","1.049","","","","has coordinates,has disorder","284486","2023-06-16","07:33:25",""
"8107381","6.8528","0.0003","11.3498","0.0005","13.3896","0.0009","114.083","0.005","104.326","0.004","90.369","0.003","914.38","0.09","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O S -","- C20 H22 N4 O S -","- C40 H44 N8 O2 S2 -","2","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Shaalan, Nora H.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 2-({[5-(adamantan-2-yl)-2-sulfanylidene-1,3,4-oxadiazolidin-3-yl]methyl}amino)benzonitrile, C20H22N4OS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","159","161","10.1515/ncrs-2022-0511","","x-ray","1.54184","CuKα","","0.0975","0.0844","","","0.2079","0.2217","","","","","","0.996","","","","has coordinates","284487","2023-06-16","07:36:58",""
"8107382","9.0583","0.0004","9.2694","0.0004","11.1183","0.0004","83.112","0.001","72.259","0.001","73.94","0.001","853.8","0.06","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br Cl N2 O -","- C18 H18 Br Cl N2 O -","- C36 H36 Br2 Cl2 N4 O2 -","2","1","","Yu Wen, Ya-Huan; Zhang, Pin; Liu, Bin","Crystal structure of 1-(3-bromopropyl)-2-((4-chlorophenoxy)methyl)-4-methyl-1H-benzo[d]imidazole, C18H18BrClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","163","164","10.1515/ncrs-2022-0470","","","0.71073","MoKα","","0.0546","0.0381","","","0.0854","0.0969","","","","","","1.079","","","","has coordinates","284488","2023-06-16","07:41:16",""
"8107383","15.5675","0.0012","17.0299","0.0013","6.2644","0.0005","90","","90","","90","","1660.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N3 O5 -","- C18 H19 N3 O5 -","- C72 H76 N12 O20 -","4","1","","Zhang, Shi-Qi; Li, Ming; Zong, Hai-Tao","Crystal structure of 2-methoxy-6-[(2-morpholin-4-yl-phenylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone, C18H19N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","165","166","10.1515/ncrs-2022-0525","","","0.71073","MoKα","","0.0451","0.0322","","","0.0751","0.0815","","","","","","1.029","","","","has coordinates","284489","2023-06-16","07:44:23",""
"8107384","7.67","0.004","15.679","0.008","29.17","0.017","90","","90","","90","","3508","3","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C160 H144 N32 O32 -","8","1","","Shin, Soon Young; Koh, Dongsoo","The crystal structure of 2-(7-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-5-yl)-3-methoxyphenol, C20H18N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","167","169","10.1515/ncrs-2022-0534","","","0.71073","MoKα","","0.059","0.0497","","","0.1301","0.1379","","","","","","1.057","","","","has coordinates","284490","2023-06-16","07:49:38",""
"8107385","8.7634","0.0008","17.929","0.0018","12.8437","0.0009","90","","100.013","0.008","90","","1987.3","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(1-(2-(4-hydoxy-3,5-dimethoxybenzylidene)hydrazinyl)ethylidene)chroman-2,4- dione dihydrate","3-(1-(2-(4-hydoxy-3,5-dimethoxybenzylidene)hydrazinyl)ethylidene)chroman-2,4- dione dihydrate","","- C20 H22 N2 O8 -","- C20 H22 N2 O8 -","- C80 H88 N8 O32 -","4","1","","Radnović, Nikola D.; Dekić, Biljana R.; Ristić, Milenko N.; Sejmanović, Dragana M.; Aksić, Marija S.; Krüger, Biljana; Rodić, Marko V.","The crystal structure of 3-(1-(2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione dihydrate, C20H22N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","171","173","10.1515/ncrs-2022-0594","","x-ray","0.71073","MoKα","","0.0571","0.0401","","","0.0935","0.1026","","","","","","1.017","","","","has coordinates","284491","2023-06-16","07:52:57",""
"8107386","30.5661","0.0014","7.0209","0.0003","17.2028","0.0007","90","","117.342","0.001","90","","3279.3","0.2","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,5,7-trimethoxy-3',4'-methylenedioxy-flavone","","- C19 H16 O7 -","- C19 H16 O7 -","- C152 H128 O56 -","8","1","","Tan, Yong-cui; Li, Ji-Xin; Ye, Jiang-Hai; Zou, Juan; Liu, Ya-Hua","Crystal structure of 3,5,7-trimethoxy-3′,4′-methylenedioxy-flavone, C19H16O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","175","176","10.1515/ncrs-2022-0540","","","0.71073","MoKα","","0.094","0.0489","","","0.1173","0.1398","","","","","","1.013","","","","has coordinates","284492","2023-06-16","07:56:26",""
"8107387","10.0361","0.0011","18.542","0.002","9.7357","0.0012","90","","90","","90","","1811.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Li, Yijv; Zhao, Nengwu; Ye, Jianghai; Xu, Fangfang; Li, Tiantian; Lang, Tianqiong","The crystal structure of strictic acid, C20H26O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","177","179","10.1515/ncrs-2022-0591","","","0.71073","MoKα","","0.0887","0.0535","","","0.1364","0.1553","","","","","","1.016","","","","has coordinates","284493","2023-06-16","07:59:42",""
"8107388","4.1183","0.0015","9.787","0.004","12.649","0.005","90","","100.411","0.012","90","","501.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O2 -","- C10 H14 N2 O2 -","- C20 H28 N4 O4 -","2","0.5","","Zhong, Qi-Di; Wang, Rui; Zhao, Kai-Hui; Fu, Yu-Wei; Li, Dong-Mei","Crystal structure of 1,1′-(pyrazine-1,4-diyl)-bis(propan-2-one), C10H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","181","182","10.1515/ncrs-2022-0555","","","0.71073","MoKα","","0.077","0.0484","","","0.0876","0.0925","","","","","","1.002","","","","has coordinates","284494","2023-06-16","08:38:59",""
"8107389","9.275","0.001","12.864","0.0017","13.483","0.002","90","","90","","90","","1608.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl N2 O -","- C17 H21 Cl N2 O -","- C68 H84 Cl4 N8 O4 -","4","1","","Pang, Liansu; Shao, Xiaojun","The crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)urea, C17H21ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","183","184","10.1515/ncrs-2022-0537","","","0.71073","MoKα","","0.1205","0.0681","","","0.1107","0.1361","","","","","","1.05","","","","has coordinates","284495","2023-06-16","08:44:04",""
"8107390","23.2297","0.0005","16.3509","0.0003","8.73","0.0002","90","","90","","90","","3315.89","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 O5 -","- C16 H14 Cl2 O5 -","- C128 H112 Cl16 O40 -","8","2","","Zhang, Meng; Bai, Yu-Bin","The crystal structure of (2R,6′R)-2′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-2′-ene-3,4′-dione, C16H14Cl2O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","185","187","10.1515/ncrs-2022-0538","","x-ray","1.54184","CuKα","","0.05","0.0472","","","0.1236","0.1268","","","","","","1.056","","","","has coordinates","284497","2023-06-20","07:26:05",""
"8107391","10.448","0.0005","12.4188","0.0006","18.3905","0.001","90","","90","","90","","2386.2","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-3- ((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro- 1<i>H</i>-cyclopenta[<i>α</i>]phenanthren-17-yl)ethan -1-one","","- C28 H41 N O2 -","- C28 H41 N O2 -","- C112 H164 N4 O8 -","4","1","","Zhang, Wen-Wen; Ye, Jiang-Hai; Huang, Hua; Zou, Juan; He, Kang","Synthesis and crystal structure of 1-((3R,10S,13R,17S)-3-((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]-phenanthren-17-yl)ethan-1-one, C28H41NO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","189","191","10.1515/ncrs-2022-0516","","","0.71073","MoKα","","0.1229","0.0608","","","0.1271","0.151","","","","","","1.01","","","","has coordinates","284498","2023-06-20","07:30:05",""
"8107392","14.405","0.009","7.579","0.005","17.61","0.009","90","","95.856","0.013","90","","1913","2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Cl F2 N5 O2 -","- C19 H12 Cl F2 N5 O2 -","- C76 H48 Cl4 F8 N20 O8 -","4","1","","Li, Nan; Li, Zheng; Wang, Tian Ci; Miao, Jun; Wu, Haixia; Gao, Jin Long; Shan, Ju Chuan","Crystal structure of N-2,6-difluorobenzoyl-N′-[1-(3-chloro-4-methyl-phenyl)-4-cyano-1H-pyrazol-5-carbamoyl]urea, C19H12ClF2N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","193","195","10.1515/ncrs-2022-0569","","","0.71076","MoKα","","0.0763","0.0464","","","0.0984","0.1134","","","","","","1.049","","","","has coordinates","284499","2023-06-20","07:34:52",""
"8107393","22.6816","0.0012","7.3911","0.0003","15.6072","0.0008","90","","90","","90","","2616.4","0.2","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O11 -","- C26 H44 O11 -","- C104 H176 O44 -","4","1","","Wang, Lei; Li, Guang-Jie; Ye, Jiang-Hai; He, Kang; Zou, Juan","Crystal structure of (−)-β-D-19-glucopiranosyl-9,15-dihydroxy kaurenoate, C26H40O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","197","199","10.1515/ncrs-2022-0551","","","0.71073","MoKα","","0.0549","0.0455","","","0.118","0.123","","","","","","1.055","","","","has coordinates","284500","2023-06-20","07:49:06",""
"8107394","4.8622","0.0005","6.7853","0.0007","14.3349","0.0017","90","","96.556","0.003","90","","469.84","0.09","273","2","273","2","","","","","","","","3","P 1 n 1","P -2yac","7","Phellodenol-A","7-hydroxy-6-(2-hydroxyethyl)-2<i>H</i>-chromen-2-one","","- C11 H10 O4 -","- C11 H10 O4 -","- C22 H20 O8 -","2","1","","Huang, Hua; Yang, Jing; Sun, Yi-chun; Ye, Jiang-Hai; He, Kang; Zou, Juan","Crystal structure of 7-hydroxy-6-(2-hydroxyethyl)-2H-chromen-2-one, C11H10O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","201","202","10.1515/ncrs-2022-0529","","","0.71073","MoKα","","0.0887","0.0512","","","0.1075","0.1249","","","","","","1.017","","","","has coordinates","284501","2023-06-20","07:59:51",""
"8107395","11.4278","0.0008","8.5816","0.0006","25.1115","0.0018","90","","95.173","0.006","90","","2452.6","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","H-1","","- C11 H14 N2 S2 -","- C11 H14 N2 S2 -","- C88 H112 N16 S16 -","8","1","","Duan, Yong-Hua; Yuan, Fei; Hu, Shi-Biao; Bian, Jiang; Guo, Ya-Fei","Crystal structure of S-(benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine, C11H14N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","203","205","10.1515/ncrs-2022-0552","","x-ray","0.71073","MoKα","","0.0533","0.0416","","","0.108","0.1169","","","","","","1.06","","","","has coordinates","284502","2023-06-20","08:13:24",""
"8107396","7.4892","0.0006","9.914","0.0009","11.3274","0.0007","106.813","0.007","98.508","0.006","107.024","0.007","744.53","0.12","292.6","0.6","292.6","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Ba N2 Na O13 -","- C8 H11 Ba N2 Na O13 -","- C16 H22 Ba2 N4 Na2 O26 -","2","1","","Huang, Guang; Xing, Yalong","Crystal structure of poly[di-µ2-aqua-aqua-nitrato-κ2 O,O′-(µ3-2-nitroisophthalato-κ4 O,O′:O″:O′″)barium(II)natrium(II)] monohydrate, C8H11BaN2NaO13","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","207","209","10.1515/ncrs-2022-0545","","x-ray","0.71073","MoKα","","0.0372","0.0316","","","0.0615","0.0663","","","","","","1.021","","","","has coordinates","284503","2023-06-20","08:17:06",""
"8107397","6.352","0.0006","11.7438","0.0008","11.788","0.0009","90","","96.562","0.009","90","","873.58","0.12","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Co N6 O8 -","- C14 H16 Co N6 O8 -","- C28 H32 Co2 N12 O16 -","2","0.5","","Hong, Dong-Feng; Guo, Ao; Kou, Xian-Ke","The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2 N,O)-cobalt(II) dihydrate, C14H16N6O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","211","213","10.1515/ncrs-2022-0539","","x-ray","0.71073","MoKα","","0.0757","0.0508","","","0.0891","0.0982","","","","","","1.055","","","","has coordinates","284504","2023-06-20","08:27:49",""
"8107398","9.1132","0.0007","9.6788","0.0009","11.0964","0.001","65.796","0.003","79.406","0.003","87.484","0.003","876.96","0.13","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Xiong, Ying; Chuan, Gao; An, Ya","Crystal structure of (S,E)-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-4-yl)-2,3- dihydroquinazolin-4(1H)-one monohydrate, C19H15N5O⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","215","216","10.1515/ncrs-2022-0568","","","0.71073","MoKα","","0.0713","0.0482","","","0.1319","0.1405","","","","","","1.093","","","","has coordinates","284505","2023-06-20","08:44:55",""
"8107399","38.808","0.0003","33.3993","0.0003","7.1666","0.0001","90","","90","","90","","9289.06","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H24 N2 O12 S -","- C22 H24 N2 O12 S -","- C352 H384 N32 O192 S16 -","16","1","","Chen, Hai-Lin; Wang, Yan-Ping; Pan, Li-Wei; Wei, Zheng; Tang, Ling-Chan","Synthesis and crystal structure of 5-(8-(((5-carboxypentyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-3-nitrobenzenesulfonate monohydrate, C22H24N2O12S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","217","219","10.1515/ncrs-2022-0532","","x-ray","1.54184","CuKα","","0.0439","0.0432","","","0.1218","0.1223","","","","","","1.076","","","","has coordinates,has disorder","284506","2023-06-20","08:48:13",""
"8107400","7.2968","0.0006","7.6743","0.0006","11.5698","0.0012","77.255","0.008","73.573","0.008","73.509","0.007","588.9","0.1","220.01","0.1","220.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 Br N2 O3 -","- C13 H7 Br N2 O3 -","- C26 H14 Br2 N4 O6 -","2","1","","Hao, Zhi-Feng; Zhu, Shi-Jie; Lei, Chuan-Wen; Zhou, Ying","Synthesis and crystal structure of 8-bromo-3-(1H-pyrazole-1-carbonyl)-2H-chromen-2-one, C13H7BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","221","222","10.1515/ncrs-2022-0561","","x-ray","0.71073","MoKα","","0.0605","0.0459","","","0.0988","0.1089","","","","","","1.031","","","","has coordinates","284507","2023-06-20","08:51:02",""
"8107401","8.3798","0.0006","9.2019","0.0007","10.4504","0.0007","77.941","0.006","85.712","0.006","79.078","0.006","773.25","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C38 H28 F8 O4 -","2","1","","Liu, Yi-Bin; Xu, Yang-Rong; Wang, Wen-Shui; Jiang, Sheng; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of E-7-fluoro-2-(4-methoxy-3-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","223","225","10.1515/ncrs-2022-0562","","","0.71073","MoKα","","0.0577","0.0458","","","0.1054","0.1165","","","","","","1.04","","","","has coordinates","284508","2023-06-20","08:58:09",""
"8107402","15.812","0.005","8.82","0.003","22.615","0.007","90","","109.814","0.01","90","","2967.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N3 O2 -","- C15 H14 Cl N3 O2 -","- C120 H112 Cl8 N24 O16 -","8","2","","Wang, Yi-Ning; Min, Li-Jing; Han, Liang; Liu, Xing-Hai; Sun, Guo-Xiang","Hydrogen bonded dimers in the crystal structure of 2-chloro-N-((3,5-dimethylphenyl)carbamoyl)-nicotinamide, C30H28Cl2N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","227","229","10.1515/ncrs-2022-0528","","","0.71073","MoKα","","0.0854","0.0489","","","0.1113","0.1302","","","","","","1.022","","","","has coordinates","284509","2023-06-20","09:02:42",""
"8107403","8.9854","0.0003","9.1004","0.0003","9.2312","0.0003","66.667","0.003","74.875","0.003","74.024","0.003","656.4","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 F6 N2 P -","- C10 H12 F6 N2 P -","- C20 H24 F12 N4 P2 -","2","1","","Yuan, Kun; Wu, Su-Qin; Nie, Xu-Liang; Xiong, Wan-Ming; Chen, Jing","Crystal structure of 3,3′-(1,4-phenylenebis(methylene))bis(1-allyl-1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C10H12F6N2P","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","231","233","10.1515/ncrs-2022-0558","","x-ray","1.54184","CuKα","","0.0563","0.0513","","","0.1459","0.1515","","","","","","1.099","","","","has coordinates,has disorder","284510","2023-06-20","09:06:19",""
"8107404","10.0543","0.0001","11.4893","0.0001","16.5853","0.0001","93.152","0.001","91.877","0.001","97.097","0.001","1896.81","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Br N2 O -","- C22 H23 Br N2 O -","- C88 H92 Br4 N8 O4 -","4","2","","Qi, Qin-Bing; Li, Wen-Xuan; Hou, Gui-Ge; Li, Cheng-Bo","Crystal structure of (E)-7-bromo-2-(4-(4-methylpiperazin-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","235","237","10.1515/ncrs-2022-0590","","","1.54178","CuKα","","0.0336","0.0318","","","0.0828","0.084","","","","","","1.047","","","","has coordinates,has disorder","284512","2023-06-21","08:41:04",""
"8107405","20.9559","0.0008","14.1567","0.0006","9.1976","0.0004","90","","90","","90","","2728.6","0.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe2 O5 P S2 -","- C26 H21 Fe2 O5 P S2 -","- C104 H84 Fe8 O20 P4 S8 -","4","1","","Bi, Lu-Yan; Liu, Xu-Feng","Crystal structure of pentacarbonyl-(μ 2-ethane-1,2-dithiolato-κ 4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ 1 P)diiron (Fe–Fe), C26H21Fe2O5PS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","239","241","10.1515/ncrs-2022-0570","","","0.71073","MoKα","","0.0243","0.0217","","","0.056","0.057","","","","","","1.083","","","","has coordinates","284513","2023-06-21","08:44:56",""
"8107406","9.8138","0.0007","10.9739","0.0007","11.6878","0.0009","62.633","0.007","67.095","0.007","68.817","0.006","1003.78","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl F3 N3 O2 -","- C22 H19 Cl F3 N3 O2 -","- C44 H38 Cl2 F6 N6 O4 -","2","1","","Li, Rong-Kai; Wang, Chun-Hua; Hou, Gui-Ge; Li, Cheng-Bo","Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C22H19ClF3N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","243","245","10.1515/ncrs-2022-0589","","","0.71073","MoKα","","0.0599","0.0454","","","0.1046","0.1158","","","","","","1.031","","","","has coordinates","284514","2023-06-21","08:48:37",""
"8107407","8.5077","0.0016","6.7688","0.0013","22.459","0.004","90","","98.188","0.002","90","","1280.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triaqua-[5-Bromo-2-carboxylatophenoxyacetato-k^3^ O,O',O'']nickel(II)","","- C9 H11 Br Ni O8 -","- C9 H11 Br Ni O8 -","- C36 H44 Br4 Ni4 O32 -","4","1","","Xiao, Pan-Lei; Xiong, Xin-Ting; Ou-Yang, Xiao-Hui; Ren, Yue; Nie, Xu-Liang","Crystal structure of triaqua-[5-bromo-2-(carboxylatomethoxy)benzoate-κ 3 O,O′,O″]nickel(II), C9H11BrNiO8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","247","248","10.1515/ncrs-2022-0582","","","0.71073","MoKα","","0.0331","0.0256","","","0.056","0.0585","","","","","","1.078","","","","has coordinates","284515","2023-06-21","08:51:20",""
"8107408","11.832","0.003","11.326","0.003","23.837","0.006","90","","96.706","0.004","90","","3172.5","1.4","100","1","100","1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H12 Cl2 N4 -","- C18 H12 Cl2 N4 -","- C144 H96 Cl16 N32 -","8","4","","Wang, Lutong; Lei, Sufang; Li, Yuanxiang","The crystal structure of 4,4′-dichloro-3,5′-diphenyl-1′H-1,3′- bipyrazole, C18H12Cl2N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","249","252","10.1515/ncrs-2022-0576","","x-ray","0.71073","MoKα","","0.0772","0.0517","","","0.1123","0.1281","","","","","","1.018","","","","has coordinates","284516","2023-06-21","08:55:58",""
"8107409","7.6063","0.0005","9.3072","0.0007","10.8485","0.0008","81.37","0.002","75.503","0.002","84.756","0.002","733.97","0.09","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","bis(1<i>H</i>-pyrazole-carboxamidine-<i>κN</i>,<i>N</i>?)bis (nitrato-<i>κ</i>O)-copper(II), C~8~H~12~CuN~10~O~6~","","- C8 H12 Cu N10 O6 -","- C8 H12 Cu N10 O6 -","- C16 H24 Cu2 N20 O12 -","2","1","","Kohúteková, Soňa; Matulková, Irena; Císařová, Ivana; Němec, Ivan","The crystal structure of bis(1H-pyrazole-carboxamidine-κN,N′)bis(nitrato-κO)-copper(II), C8H12CuN10O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","253","255","10.1515/ncrs-2022-0586","","","0.71073","MoKα","","0.059","0.0515","","","0.1151","0.1194","","","","","","1.08","","","","has coordinates","284517","2023-06-21","08:59:27",""
"8107410","6.0696","0.0009","10.1112","0.001","10.9318","0.0013","104.938","0.01","104.246","0.012","97.021","0.01","615.82","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O -","- C15 H11 Br O -","- C30 H22 Br2 O2 -","2","1","","Tang, Yun-Hao; Li, Fei; Yang, Yu-Zhu; Pan, Wei-Dong","Synthesis and crystal structure of 3-bromo-4-phenyl-2H-chromene, C15H11BrO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","257","258","10.1515/ncrs-2022-0584","","x-ray","0.71073","MoKα","","0.103","0.0573","","","0.1103","0.1355","","","","","","1.053","","","","has coordinates","284518","2023-06-21","09:08:26",""
"8107411","7.5122","0.0015","7.8955","0.0016","12.875","0.003","90","","92.919","0.003","90","","762.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N3 O2 -","- C15 H23 N3 O2 -","- C30 H46 N6 O4 -","2","1","","Zhang, Shi-Lin","Crystal structure of (E)-5-(diethylamino)-2-((morpholinoimino)methyl)phenol, C15H23N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","259","260","10.1515/ncrs-2022-0600","","","0.71073","MoKα","","0.0745","0.0545","","","0.1629","0.1802","","","","","","1.019","","","","has coordinates","284519","2023-06-21","09:12:43",""
"8107412","3.793","0.0006","3.793","0.0006","8.7049","0.0013","90","","90","","90","","125.24","0.03","293","","293","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga3 Nb -","- Ga3 Nb -","- Ga6 Nb2 -","2","0.0625","","Baldauf, Jasper Arne; Block, Theresa; Pöttgen, Rainer","Crystal structure of niobium trigallide, NbGa3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","261","263","10.1515/ncrs-2023-0007","","x-ray","0.71073","MoKα","","0.0303","0.0303","","","0.0702","0.0702","","","","2.77","2.77","2.77","","","","has coordinates","284520","2023-06-21","09:15:28",""
"8107413","8.0196","0.0002","8.0196","0.0002","26.2366","0.0005","90","","90","","120","","1461.31","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 32","P 32","145","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C66 H78 N6 O12 -","3","1","","Pan, Ting; Shi, Da-Bin","Crystal structure of dimethyl 4,4′-(((1R, 2R)-cyclohexane-1,2-diyl)bis(azanediyl))dibenzoate, C22H26N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","265","267","10.1515/ncrs-2023-0008","","x-ray","1.54184","CuKα","","0.0295","0.029","","","0.0823","0.0829","","","","","","1.031","","","","has coordinates","284521","2023-06-21","09:19:28",""
"8107414","10.2166","0.0002","11.5327","0.0002","11.6484","0.0002","90","","109.637","0.002","90","","1292.65","0.04","149.9","0.5","149.9","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C62 H56 N4 O8 -","2","1","","Zhang, Kui; Shi, Da-Bin","Crystal structure of dimethyl 4,4′-((4R, 5R)-4,5-diphenylimidazolidine-1,3-diyl)dibenzoate, C31H28N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","269","271","10.1515/ncrs-2023-0001","","x-ray","1.54184","CuKα","","0.051","0.0502","","","0.13","0.1312","","","","","","1.063","","","","has coordinates","284522","2023-06-21","09:23:30",""
"8107415","11.9837","0.0014","9.9901","0.0012","14.3621","0.0018","90","","94.873","0.002","90","","1713.2","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-bromophenyl)-4-phenylbenzo[<i>b</i>][1,4]oxaphosphinine 4-oxide","","- C20 H14 Br O2 P -","- C20 H14 Br O2 P -","- C80 H56 Br4 O8 P4 -","4","1","","Xu, Xiaozhen; Xu, Na; Ma, Shengtao; Wu, Xinan; Zhang, Junling","The crystal structure of 2-(2-bromophenyl)-4-phenylbenzo[b][1,4]oxaphosphinine 4-oxide, C20H14BrO2P","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","273","275","10.1515/ncrs-2023-0005","","","0.71073","MoKα","","0.0942","0.0598","","","0.1725","0.1925","","","","","","1.035","","","","has coordinates","284524","2023-06-23","07:45:27",""
"8107416","10.6891","0.0002","11.8375","0.0002","25.441","0.0004","90","","90","","90","","3219.11","0.1","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","2-nitroestrone","3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Raičević, Vidak; Radnović, Nikola D.; Rodić, Marko V.; Radulović, Niko S.","The crystal structure of 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one, C18H21NO4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","277","280","10.1515/ncrs-2022-0602","","x-ray","1.54184","CuKα","","0.0552","0.0483","","","0.1385","0.1449","","","","","","1.065","","","","has coordinates","284525","2023-06-23","08:00:33",""
"8107417","10.715","0.0006","15.5902","0.0008","14.3463","0.0007","90","","91.032","0.002","90","","2396.1","0.2","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H56 Cd2 N8 O8 -","- C48 H56 Cd2 N8 O8 -","- C96 H112 Cd4 N16 O16 -","2","1","","Sun, Hong-Shun","Crystal structure of catena-poly[[μ 2-1,3-bis[(1H-imidazol-1- yl)methyl]benzene-N:N′]-(μ 2–D–camphorato-O, O′: O″, O‴)cadmium(II)], C48H56Cd2N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","281","284","10.1515/ncrs-2022-0513","","","0.71073","MoKα","","0.056","0.0504","","","0.1296","0.1339","","","","","","1.034","","","","has coordinates,has disorder","284526","2023-06-23","08:14:40",""
"8107418","8.638","0.0002","14.5082","0.0003","14.8","0.0003","98.177","0.002","97.015","0.002","91.111","0.002","1820.89","0.07","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Br F3 N3 S -","- C18 H17 Br F3 N3 S -","- C72 H68 Br4 F12 N12 S4 -","4","2","","Al-Sanea, Mohammad M.; Blacque, Olivier; Mohamed, Ahmed A. B.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carbothioamide, C18H17BrF3N3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","285","288","10.1515/ncrs-2022-0544","","x-ray","1.54184","CuKα","","0.0317","0.0296","","","0.0768","0.0783","","","","","","1.051","","","","has coordinates","284527","2023-06-23","09:14:21",""
"8107419","11.3511","0.0007","12.135","0.0008","17.382","0.0011","90","","90","","90","","2394.3","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cr F6 N6 P -","- C22 H16 Cr F6 N6 P -","- C88 H64 Cr4 F24 N24 P4 -","4","1","","Zhuo, Linhai; Zhang, Jinjun","The crystal structure of cis-Dicyano-bis(2,2′-bipyridine)k2 N,N′-chromium(III) hexafluorophosphate, C22H16N6F6PCr","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","289","291","10.1515/ncrs-2022-0577","","","0.71073","MoKα","","0.053","0.0388","","","0.0925","0.1023","","","","","","0.974","","","","has coordinates","284529","2023-06-26","08:21:21",""
"8107420","8.5759","0.0012","9.169","0.0012","9.9698","0.0012","81.677","0.004","76.029","0.004","63.441","0.004","679.87","0.16","302","2","301.72","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C26 H34 Br2 O6 -","2","1","","Zhao, Wen-Ze","Crystal structure of 4-((6-bromohexyl)oxy)-2-hydroxybenzaldehyde, C13H17BrO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","293","294","10.1515/ncrs-2022-0598","","","0.71073","MoKα","","0.077","0.0433","","","0.1079","0.1253","","","","","","1.008","","","","has coordinates","284530","2023-06-26","08:24:57",""
"8107421","9.7583","0.0016","5.4033","0.0009","10.4729","0.0017","90","","110.483","0.004","90","","517.29","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hydrazinium_mesylate","Hydrazinium_methanesulfonate","","- C H8 N2 O3 S -","- C4 H32 N8 O12 S4 -","- C4 H32 N8 O12 S4 -","1","0.25","","Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","Crystal structure of hydrazinium methanesulfonate, CH8N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","295","297","10.1515/ncrs-2023-0022","","","0.71073","MoKα","","0.0271","0.0225","","","0.0624","0.0649","","","","","","1.088","","","","has coordinates","284531","2023-06-26","08:28:01",""
"8107422","7.5319","0.0005","7.9745","0.0005","25.1313","0.0017","90","","98.459","0.007","90","","1493.04","0.17","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 I N O3 -","- C17 H12 I N O3 -","- C68 H48 I4 N4 O12 -","4","1","","Sun, Yi-Fan; Tang, Qian-Qian; Zhang, Yue; Yang, Fan; Liu, Yong-Jun; Cong, Wei","Crystal structure of 1-(2-iodobenzoyl)-6-methoxy-1H-indole-3-carbaldehyde, C17H12INO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","299","301","10.1515/ncrs-2022-0599","","","0.71073","MoKα","","0.03","0.0272","","","0.0584","0.0595","","","","","","1.12","","","","has coordinates","284532","2023-06-26","08:51:30",""
"8107423","9.5638","0.0011","10.2013","0.0011","14.6758","0.0016","97.534","0.004","93.522","0.004","113.149","0.004","1295.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","bis(acridinium) tetrabromidomanganate(II)","","- C26 H20 Br4 Mn N2 -","- C26 H20 Br4 Mn N2 -","- C52 H40 Br8 Mn2 N4 -","2","1","","Ha, Kwang","Crystal structure of bis(acridinium) tetrabromidomanganate(II), C26H20Br4MnN2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","303","304","10.1515/ncrs-2023-0021","","","0.71073","MoKα","","0.0585","0.0389","","","0.0859","0.0953","","","","","","1.041","","","","has coordinates","284533","2023-06-26","08:54:48",""
"8107424","6.463","0.003","14.889","0.006","10.282","0.004","90","","95.105","0.005","90","","985.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C44 H56 N4 O4 -","2","0.5","","Xiao, Zhenxiu; Deng, Xin; Jiang, Wujiu; Fu, Weiwei","The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene)) bis(2-(tert-butyl)phenol), C22H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","305","307","10.1515/ncrs-2023-0013","","","0.71073","MoKα","","0.056","0.0425","","","0.1117","0.1206","","","","","","1.076","","","","has coordinates","284534","2023-06-26","08:58:08",""
"8107425","9.5793","0.0013","26.161","0.004","13.1326","0.0018","90","","109.124","0.002","90","","3109.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Cl6 O2 Sn6 -","- C54 H58 Cl6 O2 Sn6 -","- C108 H116 Cl12 O4 Sn12 -","2","0.5","","Xiao, Beibei; Xiang, Niping; Yu, Jiangxi; Wang, Chengyong; Liu, Bang","The crystal structure of the cocrystal di-μ 2-chlorido-tetramethyl-tetraphenyl-di-μ 3-oxido-dichloridotetratin(IV) – diphenyl-methyl-chloridotin(IV)(1/2), C54H58Cl6O2Sn6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","309","311","10.1515/ncrs-2022-0518","","","0.71073","MoKα","","0.0423","0.0337","","","0.0729","0.0763","","","","","","1.031","","","","has coordinates","284750","2023-07-03","07:16:15",""
"8107426","6.5012","0.0003","15.3297","0.0007","26.8138","0.0014","90","","90","","90","","2672.3","0.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3a7<i>R</i>,13b<i>R</i>)-3-((1<i>R</i>)-1-hydroxy-1-(5-methyl-6- oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3, 3a,4,5,11,11a,12,13,13b-decahydroindeno[5',4':4,5] cyclohepta[1,2-<i>c</i>]oxepin-9(1<i>H</i>)-one","","- C30 H40 O5 -","- C30 H40 O5 -","- C120 H160 O20 -","4","1","","Ye, Jiang-Hai; Chen, Ren-Song; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie","Crystal structure of (3a7R,13bR)-3-((1R)-1-hydroxy-1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5′,4′:4,5] cyclohepta[1,2-c]oxepin-9(1H)-one, C30H40O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","313","315","10.1515/ncrs-2022-0564","","","0.71073","MoKα","","0.0881","0.0537","","","0.1201","0.1355","","","","","","1.014","","","","has coordinates","284751","2023-07-03","07:18:08",""
"8107427","5.5859","0.001","24.818","0.004","9.3393","0.0015","90","","101.128","0.003","90","","1270.4","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Sun, Shixiong; Zhao, Benbo; Deng, Ping; Cheng, Yuan","Crystal structure of 1-(4-methoxyphenyl)-2-phenoxyethan-1-one, C15H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","317","318","10.1515/ncrs-2022-0595","","","0.71073","MoKα","","0.0629","0.041","","","0.1152","0.1394","","","","","","1.114","","","","has coordinates","284752","2023-07-03","07:24:40",""
"8107428","9.1007","0.001","9.8108","0.001","11.8638","0.0012","107.377","0.003","107.333","0.003","91.254","0.004","957.84","0.18","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-tetrakis(3-phenylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>) nickel(II)","","- C46 H36 N6 Ni S2 -","- C46 H36 N6 Ni S2 -","- C46 H36 N6 Ni S2 -","1","0.5","","Ha, Kwang","Crystal structure of trans-tetrakis(3-phenylpyridine-κN)bis(thiocyanato-κN)nickel(II), C46H36N6NiS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","319","321","10.1515/ncrs-2023-0020","","","0.71073","MoKα","","0.0265","0.0248","","","0.0638","0.0651","","","","","","1.045","","","","has coordinates","284753","2023-07-03","07:27:17",""
"8107429","15.357","0.002","5.441","0.002","19.885","0.002","90","","106.386","0.003","90","","1594.1","0.6","100","","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H29 Cu3 N12 Na O8 S6 -","- C14 H29 Cu3 N12 Na O8 S6 -","- C28 H58 Cu6 N24 Na2 O16 S12 -","2","0.5","","Shin, Jiehye; Do, Junghwan","Crystal structure of sodium catena-poly[bis(thiourea-κ1 S)-tetrakis(μ 2-thiourea-κ2 S,S)tricopper(I)] difumarate, C14H29Cu3N12NaO8S6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","323","325","10.1515/ncrs-2022-0355","","","0.63","synchrotron","","0.0479","0.0374","","","0.1022","0.1069","","","","","","1.045","","","","has coordinates","284754","2023-07-03","07:30:32",""
"8107430","15.4951","0.0002","5.6273","0.0001","17.3541","0.0002","90","","90.831","0.001","90","","1513.04","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cu N2 O4 -","- C34 H36 Cu N2 O4 -","- C68 H72 Cu2 N4 O8 -","2","0.5","","Moon, Sunhwa; Shin, Jiehye; Ok, Kang Min; Do, Junghwan","Crystal structure of bis(benzylamine-κ1 N)-bis((E)-2-methyl-3-phenylacrylato-κ1 O)copper(II), C34H36CuN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","327","329","10.1515/ncrs-2022-0247","","","0.71073","MoKα","","0.0584","0.0415","","","0.0895","0.0986","","","","","","1.037","","","","has coordinates","284755","2023-07-03","07:38:11",""
"8107431","5.2364","0.0008","10.025","0.0014","59.689","0.009","90","","90","","90","","3133.4","0.8","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 F2 N6 O9 S -","- C30 H36 F2 N6 O9 S -","- C120 H144 F8 N24 O36 S4 -","4","1","","Xia, Ying-Fan; Lu, Rong-Bin; Sun, Wei-Jie; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun","The crystal structure of 3,4-dihydroxybenzoic acid – 3-[7-{[2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol – water (1/1/1), C30H36F2N6O9S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","331","333","10.1515/ncrs-2022-0572","","","1.34139","GaKα","","0.0399","0.0384","","","0.0963","0.0969","","","","","","1.043","","","","has coordinates,has disorder","284820","2023-07-05","06:49:27",""
"8107432","12.4072","0.0008","13.5186","0.001","19.475","0.0014","90","","92.902","0.002","90","","3262.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[dipyridine-bis(pyridine-2-carboxylato-κ^2^<i>N,O</i>) -bis(μ~2~-pyridine-2-carboxylato-κ^2^<i>N,O</i>)-dinickel(II)]","","- C34 H26 N6 Ni2 O8 -","- C34 H26 N6 Ni2 O8 -","- C136 H104 N24 Ni8 O32 -","4","1","","Ha, Kwang","Crystal structure of catena-poly[dipyridine-bis(pyridine-2-carboxylato-κ 2 N,O)-bis(μ 2-pyridine-2-carboxylato-κ 2 N,O)-dinickel(II)], C34H26N6Ni2O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","335","337","10.1515/ncrs-2023-0019","","","0.71073","MoKα","","0.0401","0.0304","","","0.0723","0.0809","","","","","","1.094","","","","has coordinates","284821","2023-07-05","07:00:52",""
"8107433","8.0862","0.0001","15.473","0.0002","23.5892","0.0002","90","","90","","90","","2951.43","0.06","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F3 N6 O3 -","- C14 H11 F3 N6 O3 -","- C112 H88 F24 N48 O24 -","8","1","","Du, Yi-Jing; Sun, Hong-Shun; Wang, Jian-Qiang; Xu, Jia-Ying","The crystal structure of 1-((1-methyl-1H-1,2,4-triazol-3-yl) methyl)-3-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4,6-trione, C14H11F3N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","339","340","10.1515/ncrs-2023-0010","","","1.54178","CuKα","","0.0503","0.0463","","","0.1337","0.1395","","","","","","1.044","","","","has coordinates","284822","2023-07-05","07:29:43",""
"8107434","5.9953","0.0004","7.6132","0.0005","15.3709","0.001","82.089","0.005","88.307","0.006","75.992","0.006","674.23","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-((Z)-2-((1S,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-ylidene)ethylidene) hydrazine-1-carbothioamide","","- C24 H38 N6 S2 -","- C24 H38 N6 S2 -","- C24 H38 N6 S2 -","1","0.5","","Chang, Jia-Yu; Ding, Qing-Ying; Xiao, Zhuan-Quan; Zhang, Ji; Chen, Shang-Xing","Crystal structure of (E)-2-((Z)-2-((1S,4R)-3,3-dimethylbicyclo[2.2.1] heptan-2-ylidene)ethylidene)hydrazine-1-carbothioamide, C24H38N6S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","341","342","10.1515/ncrs-2023-0011","","","0.71073","MoKα","","0.081","0.0587","","","0.1392","0.1516","","","","","","1.089","","","","has coordinates","284823","2023-07-05","07:33:29",""
"8107435","8.6105","0.0019","11.027","0.003","11.485","0.003","87.191","0.003","69.13","0.002","69.679","0.002","952","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F6 S2 -","- C20 H14 F6 S2 -","- C40 H28 F12 S4 -","2","1","","Duan, Xianzhi","Crystal structure of photochromic 3-(5-(2,5-dimethylthiophen-3-yl)-2,2,3,3,4,4-hexafluorocyclopentyl)-2-methylbenzo[b]-thiophene, C20H14F6S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","343","344","10.1515/ncrs-2022-0601","","","0.71073","MoKα","","0.0397","0.0344","","","0.0934","0.0967","","","","","","1.092","","","","has coordinates","285032","2023-07-06","07:57:12",""
"8107436","22.416","0.004","11.7003","0.0018","20.079","0.003","90","","95.594","0.007","90","","5241.1","1.5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H76 Cu N8 O34 V10 -","- C24 H76 Cu N8 O34 V10 -","- C96 H304 Cu4 N32 O136 V40 -","4","0.5","","Deng, Yuan-Huan; Wang, Qiong","Crystal structure of bis(2,5,5,7-tetramethyl-1,4-diazepane-1,4-diium) diaqua-bis(1,2-diaminopropane)copper(II) bis(μ6-oxido)tetrakis(μ3-oxido)-tetradecakis(μ2-oxido)-octaoxido-decavanadium(V) – water (1/4), C24H76CuN8V10O34","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","345","347","10.1515/ncrs-2022-0542","","","0.71073","MoKα","","0.0348","0.0243","","","0.0844","0.111","","","","","","1.202","","","","has coordinates","285033","2023-07-06","08:01:30",""
"8107437","11.4194","0.0005","13.4657","0.0006","14.7549","0.0007","90","","90","","90","","2268.86","0.18","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4, 4a,5,6,7,8,13b-decahydrobenzo[3',4'] cycloocta[1',2':4,5]benzo[1,2-<i>d</i>][1,3]dioxole","","- C24 H30 O7 -","- C24 H30 O7 -","- C96 H120 O28 -","4","1","","Chen, Ren-Song; Ye, Jiang-Hai; Luo, Yu-Ling; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie","Crystal structure of 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole, C24H30O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","349","351","10.1515/ncrs-2022-0580","","","0.71073","MoKα","","0.1295","0.0535","","","0.1014","0.1239","","","","","","1.006","","","","has coordinates","285034","2023-07-06","08:09:41",""
"8107438","7.5393","0.0009","10.7586","0.0012","24.073","0.003","90","","91.275","0.003","90","","1952.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Br2 N2 O8 -","- C42 H46 Br2 N2 O8 -","- C84 H92 Br4 N4 O16 -","2","0.5","","Yu, Xuewen","Crystal structure of bis(6-carboxyhexyl)-4,4′-bipyridinium dibromide – 2,6-dihydroxynaphthalene (1/2), C42H46Br2N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","353","354","10.1515/ncrs-2022-0596","","","0.71073","MoKα","","0.0974","0.0446","","","0.0855","0.1037","","","","","","1.051","","","","has coordinates","285035","2023-07-06","08:30:59",""
"8107439","9.191","0.003","10.725","0.005","11.239","0.001","90","","109.869","0.013","90","","1041.9","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl N2 O5 -","- C23 H21 Cl N2 O5 -","- C46 H42 Cl2 N4 O10 -","2","1","","Xu, Xiaona; Zhu, Zhoujing; Liu, Bin","Crystal structure of methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H21ClN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","355","357","10.1515/ncrs-2022-0579","","","0.71073","MoKα","","0.0951","0.0609","","","0.1472","0.1695","","","","","","0.982","","","","has coordinates","285036","2023-07-06","08:35:51",""
"8107440","10.982","0.0008","10.526","0.0007","12.098","0.0011","90","","118.661","0.002","90","","1227.13","0.17","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N6 O8 Zn -","- C22 H26 N6 O8 Zn -","- C44 H52 N12 O16 Zn2 -","2","0.5","","Xia, Yu-Pei; Huang, Yu-Xin","Crystal structure of bis(dimethylammonium) poly[{μ4-1,1ʹ-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato)-κ6 N 4 O 2}zinc(II)], C22H26N6O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","359","360","10.1515/ncrs-2023-0028","","x-ray","0.71073","MoKα","","0.049","0.0352","","","0.0986","0.1101","","","","","","1.077","","","","has coordinates","285106","2023-07-10","07:11:34",""
"8107441","7.6087","0.0004","9.6681","0.0004","18.66","0.0009","90","","90","","90","","1372.66","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O1? C~16~H~13~N~3~O~1~","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Cui, Beibei; Mi, Xia; Zhang, Jingyu","Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","361","362","10.1515/ncrs-2023-0025","","x-ray","1.54184","CuKα","","0.0515","0.042","","","0.1005","0.1093","","","","","","1.047","","","","has coordinates","285107","2023-07-10","07:20:09",""
"8107442","9.6505","0.0004","9.9712","0.0005","10.0845","0.0004","68.177","0.004","88.106","0.003","79.234","0.004","884.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Yuan, Xiao-Qian; Zhao, Le-Hui; Zhang, Jia-Jing; Hou, Gui-Ge","Crystal structure of (E)-7-methoxy-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23NO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","363","365","10.1515/ncrs-2022-0578","","","1.54178","CuKα","","0.0452","0.0424","","","0.1132","0.115","","","","","","1.026","","","","has coordinates","285108","2023-07-10","07:23:24",""
"8107443","21.17","0.003","13.2938","0.0017","9.7133","0.0012","90","","114.423","0.002","90","","2489","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C96 H120 N16 O16 -","4","0.5","","Xiao, Zhenxiu; Wang, Tiantian; Deng, Xin; Jiang, Wujiu; Tan, Yuxing","The crystal structure of N′1,N′2-bis((E)-3-(tert-butyl)-2-hydroxybenzylidene)oxalohydrazide, C24H30N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","367","369","10.1515/ncrs-2023-0015","","","0.71073","MoKα","","0.0686","0.0473","","","0.1324","0.1424","","","","","","1.11","","","","has coordinates","285109","2023-07-10","07:26:24",""
"8107444","8.4962","0.0007","8.6835","0.0007","11.9767","0.001","90.965","0.001","94.946","0.001","115.931","0.001","790.21","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O9 -","- C15 H18 O9 -","- C30 H36 O18 -","2","1","","Wang, Tiantian; Su, Yizi; Feng, Yunyun; Tan, Yuxing","The crystal structure of trimethyl 2,2′,2′′-(benzene-1,3,5-triyltris(oxy))triacetate, C15H18O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","371","372","10.1515/ncrs-2023-0017","","","0.71073","MoKα","","0.0348","0.0318","","","0.0835","0.0855","","","","","","1.033","","","","has coordinates","285110","2023-07-10","07:48:12",""
"8107445","9.1314","0.0005","9.412","0.0005","10.8608","0.0005","68.1912","0.0016","70.7776","0.0017","86.8173","0.0018","815.93","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","bis[(<i>N,N</i>-dimethylformamide-κ<i>O</i>) (pyridine-2-carboxylato-κ^2^<i>N,O</i>) (μ~2~-pyridine-2-carboxylato-κ^2^<i>N,O</i>)-dinickel(II)","","- C30 H30 N6 Ni2 O10 -","- C30 H30 N6 Ni2 O10 -","- C30 H30 N6 Ni2 O10 -","1","0.5","","Ha, Kwang","Crystal structure of bis(N,N-dimethylformamide-κO)-bis(pyridine-2-carboxylato-κ 2 N,O)-bis(μ 2-pyridine-2-carboxylato-κ 2 N,O)-dinickel(II), C30H30N6Ni2O10","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","373","375","10.1515/ncrs-2023-0018","","","0.71073","MoKα","","0.0219","0.0207","","","0.0518","0.0528","","","","","","1.05","","","","has coordinates","285111","2023-07-10","08:00:44",""
"8107446","7.6031","0.0003","10.6963","0.0003","19.0717","0.0007","98.967","0.003","99.207","0.003","95.921","0.003","1499.21","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H48 Cd2 N4 O8 -","- C82 H48 Cd2 N4 O8 -","- C82 H48 Cd2 N4 O8 -","1","0.5","","Gao, Peng-Fu; Li, Ting; Fu, Hong-Ru","Crystal structure of bis(μ2-1-pyrenecarboxylato-κ3 O,O′:O′)-bis(1-pyrenecarboxylato-κ2 O,O′)-(benzimidazole-κ1 N)dicadmium(II), C82H48Cd2N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","377","379","10.1515/ncrs-2022-0557","","x-ray","0.71073","MoKα","","0.0535","0.0396","","","0.076","0.0802","","","","","","1.022","","","","has coordinates","285112","2023-07-10","08:41:48",""
"8107447","8.4861","0.0004","16.3198","0.0008","15.8521","0.0008","90","","97.605","0.005","90","","2176.07","0.19","290","2","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N5 O6 -","- C21 H23 N5 O6 -","- C84 H92 N20 O24 -","4","1","","Konovalova, Irina S.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Reiss, Guido J.","One-pot synthesis and crystal structure of diethyl 2,6-dimethyl-4-(1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, C21H23N5O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","381","384","10.1515/ncrs-2022-0573","","x-ray","0.71073","MoKα","","0.0642","0.0463","","","0.1054","0.1203","","","","","","1.054","","","","has coordinates","285113","2023-07-10","08:48:19",""
"8107448","13.8082","0.0004","9.7555","0.0003","21.8116","0.0007","90","","90","","90","","2938.15","0.16","293","0.1","293","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F N2 O2 -","- C18 H13 F N2 O2 -","- C144 H104 F8 N16 O16 -","8","1","","Siyuan, Ma; Mengping, Guo","The crystal structure of 1-(2-fluorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carbonitrile, C18H13FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","385","387","10.1515/ncrs-2023-0031","","x-ray","1.54184","CuKα","","0.0504","0.0402","","","0.1034","0.1131","","","","","","1.022","","","","has coordinates","285114","2023-07-10","08:51:06",""
"8107449","17.0254","0.0013","15.2534","0.001","11.8789","0.0009","90","","90","","90","","3084.9","0.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H30 N2 O2 S8 W3 -","- C18 H30 N2 O2 S8 W3 -","- C72 H120 N8 O8 S32 W12 -","4","0.5","","Kim, Kang-Woo; Kim, Sunghyeon","Crystal structure of bis(trimethylphenylammonium) aqua-oxido-octathiotritungstate, (Me3PhN)2[W3OS8(H2O)]","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","389","390","10.1515/ncrs-2023-0027","","","0.71073","MoKα","","0.0406","0.0342","","","0.082","0.0856","","","","","","1.099","","","","has coordinates","285115","2023-07-10","08:54:10",""
"8107450","11.1341","0.0004","10.5867","0.0002","18.6979","0.0006","90","","93.126","0.003","90","","2200.71","0.11","213","2","213","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl5 N O3 Sn -","- C17 H16 Cl5 N O3 Sn -","- C68 H64 Cl20 N4 O12 Sn4 -","4","1","","Böhme, Uwe; Weling, Gisela","The crystal structure of trichlorido[N-[(2-oxyphenyl)methylidene]phenylglycinemethylester-κ3 O,N,O′]-tin(IV) – methylene chloride (1/1), C16H14Cl3NO3Sn·CH2Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","391","393","10.1515/ncrs-2023-0004","","","0.71073","MoKα","","0.0518","0.0405","","","0.0785","0.0847","","","","","","1.188","","","","has coordinates,has disorder","285116","2023-07-10","08:57:14",""
"8107451","10.3048","0.0006","8.962","0.0005","18.0909","0.001","90","","93.046","0.006","90","","1668.36","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 O3 -","- C18 H14 Cl2 O3 -","- C72 H56 Cl8 O12 -","4","1","","Yang, Yanliang; Li, Yadi","The crystal structure of furan-2,5-diylbis((4-chlorophenyl)methanol), C18H14Cl2O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","395","397","10.1515/ncrs-2023-0029","","x-ray","0.71073","MoKα","","0.0977","0.0646","","","0.1407","0.1616","","","","","","1.017","","","","has coordinates","285117","2023-07-10","09:00:33",""
"8107452","10.3463","0.0007","17.6637","0.0014","9.2458","0.0008","90","","90","","90","","1689.7","0.2","298","2","298.15","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H32 Li6 O44 V10 -","- H32 Li6 O44 V10 -","- H64 Li12 O88 V20 -","2","0.25","","Liu, Wanxing; Wang, Baolei; Yang, Yanbing; Liu, Dong; Dai, Yifan; Zhang, Meiyu","The crystal structure of hexalithium decavanadate hexadecahydrate, H32Li6O44V10","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","399","401","10.1515/ncrs-2022-0524","","","0.71073","MoKα","","0.0563","0.0436","","","0.1174","0.1271","","","","","","1.038","","","","has coordinates","285118","2023-07-10","09:05:33",""
"8107453","7.7152","0.0003","10.6132","0.0002","25.599","0.0007","90","","90","","90","","2096.12","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N4 O3 S -","- C20 H30 N4 O3 S -","- C80 H120 N16 O12 S4 -","4","1","","Al-Sanea, Mohammad M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Mohamed, Ahmed A. B.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","403","405","10.1515/ncrs-2022-0536","","x-ray","1.54184","CuKα","","0.1288","0.0579","","","0.0911","0.1216","","","","","","0.996","","","","has coordinates","285119","2023-07-10","09:09:04",""
"8107454","12.3498","0.0005","13.0376","0.0006","13.2909","0.0005","76.5677","0.0014","83.5128","0.0013","62.3638","0.0014","1843.95","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","aqua(μ~2~-2,2',2''-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene)) tris(6-ethoxyphenolato))(pentane-2,4-dionato-κ^2^O,O')-dinickel(II)","","- C38 H48 N4 Ni2 O9 -","- C38 H48 N4 Ni2 O9 -","- C76 H96 N8 Ni4 O18 -","2","1","","Ha, Kwang","Crystal structure of aqua(μ2-2,2′,2″-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene))tris (6-ethoxyphenolato))(pentane-2,4-dionato-κ2 O,O′)-dinickel(II), C38H48N4Ni2O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","407","409","10.1515/ncrs-2023-0043","","","0.71073","MoKα","","0.0444","0.0308","","","0.0675","0.0731","","","","","","1.041","","","","has coordinates","285120","2023-07-10","09:12:43",""
"8107455","6.215","0.002","16.544","0.005","8.561","0.003","90","","108.707","0.004","90","","833.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cl2 N2 O -","- C7 H4 Cl2 N2 O -","- C28 H16 Cl8 N8 O4 -","4","1","","Bai, Su-Fen; Li, Shan-Shan; Liu, Jia-Xuan; Tian, Chun-Yu; Li, Xiao-Long; La, Xiao-Jin","Crystal structure of phenyl(3,3-dichloro-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one)methanone, C7H4Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","411","412","10.1515/ncrs-2022-0021","","","0.71073","MoKα","","0.0395","0.0339","","","0.1193","0.1265","","","","","","1.01","","","","has coordinates","285121","2023-07-10","09:15:54",""
"8107456","10.116","0.002","13.532","0.003","23.507","0.005","90","","90","","90","","3217.9","1.2","100.5","","100.5","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C8 H28 Cl2 Co N4 O2 -","- C8 H28 Cl2 Co N4 O2 -","- C64 H224 Cl16 Co8 N32 O16 -","8","0.25","","Jiehye, Shin; Jaeun, Kang; Do, Junghwan","Crystal structure of poly[diaqua-bis(μ 2-1,4-diaminobutane-N:N′)cobalt(II)] dichloride, C8H28Cl2CoN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","413","415","10.1515/ncrs-2022-0227","","","0.60997","synchrotron","","0.0387","0.0361","","","0.1052","0.1069","","","","","","1.151","","","","has coordinates","285122","2023-07-10","09:24:57",""
"8107457","7.8981","0.0017","10.302","0.002","11.028","0.003","90","","90.02","0.002","90","","897.3","0.4","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4a<i>R</i>,7<i>S</i>)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro -2<i>H</i>,6<i>H</i>-8a,4a-(epoxymethano)phenanthren-12-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Chen, Ren-Song; Zhang, Jing-Jie; Zhang, Yi; Xu, Chuan-Yan; Ye, Jiang-Hai","Synthesis and crystal structure of (4aR,7S)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro-2H,6H-8a,4a-(epoxymethano)phenanthren-12-one, C20H32O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","417","419","10.1515/ncrs-2022-0546","","","0.71073","MoKα","","0.1349","0.0603","","","0.1075","0.1342","","","","","","1.01","","","","has coordinates","285140","2023-07-11","07:11:31",""
"8107458","8.36","0.0004","12.0085","0.0008","14.3665","0.0006","90","","90","","90","","1442.27","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl3 N2 O -","- C14 H11 Cl3 N2 O -","- C56 H44 Cl12 N8 O4 -","4","1","","Li, Yingju; Yang, Zhimao","The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","421","423","10.1515/ncrs-2022-0549","","","0.71073","MoKα","","0.0597","0.046","","","0.0865","0.0944","","","","","","1.035","","","","has coordinates","285141","2023-07-11","07:14:05",""
"8107459","8.8492","0.0013","17.285","0.003","16.81","0.003","90","","93.493","0.002","90","","2566.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H37 N9 O3 S2 -","- C17 H37 N9 O3 S2 -","- C68 H148 N36 O12 S8 -","4","1","","Tang, Huawei; Han, Qianqian; Liu, Lijuan","Crystal structure of tetrapropylammonium-1,3,5-thiadiazole-5-amido-2-carbamate – 1,2,4-thiadiazole-3,5-diamine – water (1/1/1), C17H37N9O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","425","427","10.1515/ncrs-2022-0566","","","0.71073","MoKα","","0.0475","0.0395","","","0.1176","0.1277","","","","","","1.167","","","","has coordinates","285142","2023-07-11","07:17:18",""
"8107460","9.5299","0.0006","16.5181","0.0009","36.886","0.002","90","","90","","90","","5806.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H45 N9 O3 S2 -","- C21 H45 N9 O3 S2 -","- C168 H360 N72 O24 S16 -","8","1","","Tang, Huawei; Han, Qianqian; Liu, Lijuan","Tetrabutylammonium 1,3,5-thiadiazole-5-amido-2-carbamate—1,2,4-thiadiazole-3,5-diamine— water (1/1/1), C21H45N9O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","429","431","10.1515/ncrs-2022-0583","","","0.71073","MoKα","","0.0669","0.0568","","","0.1361","0.142","","","","","","1.142","","","","has coordinates","285143","2023-07-11","07:20:18",""
"8107461","8.9699","0.0009","9.1185","0.0009","17.6902","0.0017","103.776","0.001","92.407","0.001","99.761","0.001","1379.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl2 Mn N5 O4 -","- C28 H21 Cl2 Mn N5 O4 -","- C56 H42 Cl4 Mn2 N10 O8 -","2","1","","Li, Ting; Xiao, Xiyuan; Tan, Yuxing; Fu, Weiwei","The crystal structure of ((E)-2,4-dichloro-6-(((2-hydroxy-5-nitrophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Cl2MnN5O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","433","435","10.1515/ncrs-2023-0012","","","0.71073","MoKα","","0.0653","0.0388","","","0.0837","0.092","","","","","","1.045","","","","has coordinates","285144","2023-07-11","07:35:18",""
"8107462","12.3164","0.0009","12.7581","0.0009","14.5023","0.0011","70.873","0.002","80.281","0.002","65.81","0.002","1962.4","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H78 N4 O28 Yb2 -","- C84 H78 N4 O28 Yb2 -","- C84 H78 N4 O28 Yb2 -","1","0.5","","Wang, Li-Hua; Tai, Hao-Wen; Song, Gui-Quan; Tai, Xi-Shi","The crystal structure of aqua-bis{2-bromo-6-((2-(2-phenylacetyl)hydrazineylidene)methyl)phenolato-κ3 N,O,O′}-dimethylformamide-κ1 O-erbium(III) chloride – dimethylformamide – water (1/2/1), C39H49N7O9Br2ClEr","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","437","439","10.1515/ncrs-2023-0014","","x-ray","0.71073","MoKα","","0.0519","0.0383","","","0.0717","0.0765","","","","","","1.07","","","","has coordinates","285145","2023-07-11","07:38:41",""
"8107463","11.4228","0.0004","12.6712","0.0003","13.2663","0.0004","102.66","0.002","98.047","0.003","105.509","0.003","1764.54","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H38 Er2 F16 N8 O18 -","- C80 H38 Er2 F16 N8 O18 -","- C80 H38 Er2 F16 N8 O18 -","1","0.5","","Song, Jun-Ya; Zhang, Xiao-Yu; Zhang, Chun-Li; Zhao, Bei-Bei; Huang, Shi-Jie; Liu, Xinfang","Crystal structure of (diaqua-bis(phenanthroline-K 2 N,N′)-tetrakis(m 2-3,4,5,6-tetrafluorophthalato-K 4 O,O:O′:O″;K 2 O:O′)dierbium (III) phenanthroline (1/2), C80H38Er2F16N8O18","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","441","443","10.1515/ncrs-2023-0023","","x-ray","0.71073","MoKα","","0.0348","0.0311","","","0.0644","0.0668","","","","","","1.025","","","","has coordinates","285146","2023-07-11","07:41:26",""
"8107464","9.0684","0.0004","13.1942","0.0006","13.7883","0.0007","90","","96.25","0.005","90","","1639.97","0.13","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 O3 -","- C20 H17 F3 O3 -","- C80 H68 F12 O12 -","4","1","","Lai, Shuai; Hou, Yun; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-7-methoxy-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C20H17F3O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","445","447","10.1515/ncrs-2023-0024","","","0.71073","MoKα","","0.0476","0.0415","","","0.107","0.1125","","","","","","1.037","","","","has coordinates","285147","2023-07-11","07:44:06",""
"8107465","11.0681","0.0008","6.1883","0.0003","18.1603","0.0013","90","","105.111","0.006","90","","1200.84","0.14","153","2","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B N O3 -","- C10 H20 B N O3 -","- C40 H80 B4 N4 O12 -","4","1","","Herbig, Marcus; Böhme, Uwe","The crystal structure of 4–(4,4,5,5–tetramethyl–1,3,2–dioxaborolan–2–yl)morpholine, C10H20BNO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","449","450","10.1515/ncrs-2023-0030","","","0.71073","MoKα","","0.0439","0.0338","","","0.0782","0.0861","","","","","","1.092","","","","has coordinates","285148","2023-07-11","09:08:38",""
"8107466","12.8823","0.0009","9.1617","0.0006","11.7421","0.0009","90","","98.377","0.007","90","","1371.06","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Cl N2 O -","- C14 H19 Cl N2 O -","- C56 H76 Cl4 N8 O4 -","4","1","","Tang, Qianqian; Dai, Hanqi; Zhou, Guangfu; Wu, Yuanjiang; Wang, Wei; Zhao, Yang","The crystal structure of 1-(4-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","455","457","10.1515/ncrs-2023-0033","","","0.71073","MoKα","","0.1003","0.0678","","","0.1679","0.1912","","","","","","1.045","","","","has coordinates","285149","2023-07-11","09:25:48",""
"8107467","7.3476","0.0002","7.4894","0.0002","20.5137","0.0005","89.33","0.001","79.707","0.001","67.522","0.001","1024.31","0.05","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C54 H42 N2 O8 -","2","1","","Barrientos, Claudio; Squella, Juan Arturo; Moris, Silvana","The crystal structure of 4-(pyren-1-yl)butyl-4-nitrobenzoate, C27H21NO4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","459","461","10.1515/ncrs-2023-0034","","","0.71073","MoKα","","0.0727","0.0536","","","0.1613","0.1792","","","","","","1.039","","","","has coordinates","285150","2023-07-11","09:28:46",""
"8107468","10.894","0.002","7.9674","0.0016","16.787","0.003","90","","106.226","0.004","90","","1399","0.5","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 N6 O18 U2 -","- C18 H22 N6 O18 U2 -","- C36 H44 N12 O36 U4 -","2","0.5","","Meng, Yuning; Cai, Bin","Crystal structure of cyclo-(bis(µ2-3,3′-(1H-imidazole-3-ium-1,3-diyl)dipropionato-κ4 O,O′:O″,O″′)-dinitrato-κ2 O,O′-tetraoxido-diuranium(VI) C18H22N6O18U2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","463","464","10.1515/ncrs-2023-0035","","","0.71073","MoKα","","0.0392","0.0307","","","0.0698","0.0728","","","","","","1.032","","","","has coordinates","285151","2023-07-11","09:31:27",""
"8107469","8.2438","0.0003","12.3786","0.0005","12.623","0.0005","111.802","0.001","91.144","0.001","100.647","0.001","1169.86","0.08","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 I La N4 O7 -","- C23 H14 I La N4 O7 -","- C46 H28 I2 La2 N8 O14 -","2","1","","Cai, Bin; Meng, Yuning","The crystal structure of catena-[nitrato-κ 2 O,O′-(μ 3-3-iodobenzene-1,2-dicarboxylato-κ 4 O:O′:O″,O‴)-(2,2′:6′,2″-terpyridine-κ 3 N,N′,N″)lanthanum(III)], C23H14IN4O7La","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","465","466","10.1515/ncrs-2023-0036","","","0.71073","MoKα","","0.0436","0.0313","","","0.0755","0.1051","","","","","","1.214","","","","has coordinates","285152","2023-07-11","09:34:20",""
"8107470","7.0698","0.0004","8.5546","0.0006","12.8539","0.0009","106.541","0.002","102.51","0.002","91.572","0.002","724.23","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","[bis(pyridin-2-ylmethyl)amine-κ^3^N,N',N'']chloridopalladium(II) chloride monohydrate","","- C12 H15 Cl2 N3 O Pd -","- C12 H15 Cl2 N3 O Pd -","- C24 H30 Cl4 N6 O2 Pd2 -","2","1","","Ha, Kwang","Redetermination of crystal structure of [bis(pyridin-2-ylmethyl)amine-κ 3 N,Nʹ,Nʺ]chloridopalladium(II) chloride monohydrate","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","467","469","10.1515/ncrs-2023-0037","","","0.71073","MoKα","","0.0231","0.0199","","","0.0426","0.0438","","","","","","1.053","","","","has coordinates","285172","2023-07-12","07:25:53",""
"8107471","13.228","0.0012","5.5628","0.0005","41.14","0.003","90","","105.109","0.002","90","","2922.6","0.4","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N9 O10 Pr -","- C27 H26 N9 O10 Pr -","- C108 H104 N36 O40 Pr4 -","4","1","","Liu, Li; Guo, Huan-Mei; Liu, Li-Li; Qian, Xin-Ru","Crystal structure of catena-poly[triaqua-[bis(m2-4-(1H-1,2,4-triazol-1-yl)benzoato-k2O:O')-(4-(1H-1,2,4-triazol-1-yl)benzoato-k1O)-praseodymium (III) monohydrate], C27H26N9O10Pr","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","471","473","10.1515/ncrs-2023-0039","","x-ray","0.71073","MoKα","","0.0607","0.0426","","","0.0759","0.0815","","","","","","1.049","","","","has coordinates","285173","2023-07-12","07:36:27",""
"8107472","8.2282","0.0004","21.92","0.0007","11.4906","0.0004","90","","109.451","0.004","90","","1954.19","0.14","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","trans-diaqua-bis(N4-methyl-S-methylisothiosemicarbazide)nickel(II) iodide semihydrate","trans-diaqua-bis(methyl (E)-methylcarbamohydrazonothioate)nickel(II) iodide semihydrate","","- C6 H23 I2 N6 Ni O2.5 S2 -","- C6 H23 I2 N6 Ni O2.5 S2 -","- C24 H92 I8 N24 Ni4 O10 S8 -","4","0.5","","Belošević, Svetlana; Leovac, Vukadin M.; Radanović, Mirjana M.; Bogdanović, Milica G.; Radnović, Nikola D.; Rodić, Marko V.","Crystal structure of trans-diaqua-bis(methyl methylcarbamohydrazonothioato-κ2 N,N′) nickel(II) iodide semihydrate, C6H22N6O2NiS2I2·0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","475","477","10.1515/ncrs-2023-0040","","x-ray","0.71073","MoKα","","0.0494","0.0322","","","0.1076","0.1113","","","","","","1.202","","","","has coordinates","285174","2023-07-12","07:40:18",""
"8107473","6.1249","0.0007","9.9306","0.001","13.1754","0.0013","83.116","0.008","80.305","0.009","73.204","0.009","754.08","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 F4 N O S -","- C17 H13 F4 N O S -","- C34 H26 F8 N2 O2 S2 -","2","1","","Zhang, Jing; Zhang, Lixin","The crystal structure of 2-(2-fluoro-4-methyl-5-((2,2,2-trifluoroethyl)thio)phenyl)isoindolin-1-one, C17H13F4NOS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","479","481","10.1515/ncrs-2023-0042","","x-ray","0.71073","MoKα","","0.0666","0.046","","","0.0968","0.1078","","","","","","1.023","","","","has coordinates","285175","2023-07-12","07:48:18",""
"8107474","15.7286","0.0014","16.3623","0.0014","22.5","0.002","90","","97.369","0.001","90","","5742.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 N4 O9 Pb2 -","- C68 H54 N4 O9 Pb2 -","- C272 H216 N16 O36 Pb8 -","4","0.5","","Deng, Zheyu; Li, Jiahong; Hou, Xinbo; Luo, Na; Zhu, Xiaoming","The crystal structure of di-μ-1-naphthylacetato-κ 3 O,O′:O;κ 3 O:O,O′-bis[(1-naphthylacetato-κ 2 O,O′)(2,2′-bipyridine-κ 2 N,N′)lead(II)] monohydrate, C68H54N4O9Pb2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","483","485","10.1515/ncrs-2023-0045","","","0.71073","MoKα","","0.0258","0.0203","","","0.0474","0.0488","","","","","","1.034","","","","has coordinates,has disorder","285176","2023-07-12","07:52:03",""
"8107475","10.216","0.003","18.133","0.005","17.036","0.005","90","","98.371","0.003","90","","3122.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 N4 O7 S -","- C27 H44 N4 O7 S -","- C108 H176 N16 O28 S4 -","4","1","","Lin, Na; Sun, Ruiqin; Li, Xiaofang","Crystal structure of tetrapropylammonium guanidinium 4,4′-sulfonyldibenzoate monohydrate, C27H44N4O7S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","487","489","10.1515/ncrs-2023-0047","","","0.71073","MoKα","","0.0515","0.0435","","","0.1253","0.1333","","","","","","1.103","","","","has coordinates","285177","2023-07-12","07:54:26",""
"8107476","8.4254","0.0009","17.9168","0.0019","16.147","0.0017","90","","98.302","0.002","90","","2411.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 N5 O4 S -","- C18 H40 N5 O4 S -","- C72 H160 N20 O16 S4 -","4","1","","Li, Mengfei; Geng, Fangfang; Zhu, Honglei","Crystal structure of bis(tetrapropylammonium) terephthalate – 1-(diaminomethylene)thiourea – water (1/2/4) C18H40N5O4S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","491","493","10.1515/ncrs-2023-0051","","","0.71073","MoKα","","0.0483","0.0409","","","0.1098","0.1162","","","","","","1.034","","","","has coordinates","285178","2023-07-12","08:12:03",""
"8107477","9.2201","0.0007","9.3195","0.0008","11.4012","0.0009","103.88","0.007","100.987","0.007","115.09","0.007","812.32","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F N O2 -","- C21 H20 F N O2 -","- C42 H40 F2 N2 O4 -","2","1","","Luo, Han-Lin; Li, Wen-Xuan; Bai, Xian-Yong; Meng, Qing-Guo; Hou, Yun","Crystal structure of (E)-7-fluoro-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C21H20FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","495","497","10.1515/ncrs-2023-0053","","","0.71073","MoKα","","0.0564","0.0421","","","0.1044","0.1136","","","","","","1.037","","","","has coordinates","285179","2023-07-12","08:15:46",""
"8107478","8.2047","0.0006","28.6129","0.0013","8.8721","0.0007","90","","112.069","0.009","90","","1930.2","0.3","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C37 H29 Br3 N2 O14 Zn2 -","- C37 H29 Br3 N2 O14 Zn2 -","- C74 H58 Br6 N4 O28 Zn4 -","2","0.5","","Shi, Xiao-Ming; Fu, Yu-Jia","The crystal structure of poly[diaqua-bis(μ 3-5-bromobenzene-1,3-dicarboxylato-κ 3 O,O,O′)-(μ 2-1,3-bis-(4-pyridyl)-propane-κ 2 N,N′)-dizinc(II))] – 5-bromobenzene-1,3-dicarboxylic acid [2/1], C37H29Br3N2O14Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","499","501","10.1515/ncrs-2023-0055","","x-ray","1.54184","CuKα","","0.067","0.0588","","","0.1462","0.1547","","","","","","1.059","","","","has coordinates","285237","2023-07-17","07:17:14",""
"8107479","8.173","0.002","8.256","0.002","16.514","0.005","89.947","0.003","83.105","0.003","72.077","0.003","1051.8","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate)","","- C20 H17 Br O6 S2 -","- C20 H17 Br O6 S2 -","- C40 H34 Br2 O12 S4 -","2","1","","Chen, Jue-Yuan; Zou, Long-Sheng; Lai, Ni; Yin, Zi-Yi; Yuan, Lin; Li, Zhong-Yan","The crystal structure of 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate), C20H17BrO6S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","503","505","10.1515/ncrs-2023-0056","","","0.71073","MoKα","","0.0421","0.0334","","","0.0831","0.0889","","","","","","1.039","","","","has coordinates","285238","2023-07-17","07:20:05",""
"8107480","14.5245","0.0007","14.5245","0.0007","14.5245","0.0007","90","","90","","90","","3064.1","0.3","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 Eu0.938 -","- Al20 Cr2 Eu0.938 -","- Al160 Cr16 Eu7.504 -","8","0.0416667","","Koldemir, Aylin; Klenner, Steffen; Pöttgen, Rainer","Crystal structure of europium dichromium icosaaluminum, EuCr2Al20","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","507","509","10.1515/ncrs-2023-0054","","x-ray","0.71073","MoKα","","0.034","0.0172","","","0.0351","0.0402","","","","1.09","1.09","1.13","","","","has coordinates","285239","2023-07-17","07:23:16",""
"8107481","34.315","0.013","6.701","0.003","9.105","0.003","90","","98.51","0.004","90","","2070.6","1.4","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate)","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","0.5","","Lai, Ni; Zhang, Sheng-Ting; Zou, Fei; Yuan, Lin; Li, Zhong-Yan","The crystal structure of N′1,N′3-di((E)-benzylidene) isophthalohydrazide dihydrate, C 22 H 22 N 4 O 4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","511","512","10.1515/ncrs-2023-0058","","","0.71073","MoKα","","0.0588","0.0461","","","0.1265","0.1413","","","","","","1.036","","","","has coordinates","285240","2023-07-17","07:25:47",""
"8107482","7.5455","0.0015","12.735","0.003","18.333","0.004","90","","90","","90","","1761.7","0.7","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7<i>α</i>,11<i>α</i>-dihydroxy-15-oxo-ent-kauran- 16-en-19,6<i>β</i>-olide","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Zhang, Lu; Yuan, Hang; Ye, Jiang-Hai; He, Kang; Lai, Chun-Hua; Zou, Juan","Crystal structure of 7α,11α-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","513","515","10.1515/ncrs-2023-0061","","","0.71073","MoKα","","0.0904","0.0529","","","0.1228","0.1407","","","","","","1.033","","","","has coordinates","285241","2023-07-17","08:41:57",""
"8107483","19.0933","0.0002","23.091","0.0003","10.6831","0.0002","90","","90.064","0.001","90","","4710","0.12","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N3 O -","- C13 H10 Cl N3 O -","- C208 H160 Cl16 N48 O16 -","16","4","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 4-chloro-N′-[(1E)-pyridin-3-ylmethylidene]benzohydrazide, C13H10ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","517","520","10.1515/ncrs-2023-0060","","x-ray","1.54184","CuKα","","0.0537","0.0411","","","0.0981","0.1081","","","","","","1.031","","","","has coordinates","285242","2023-07-17","08:45:41",""
"8107484","6.8892","0.0003","21.8269","0.0013","35.1144","0.0019","90","","90.344","0.005","90","","5280.1","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-3-(1-(2-(E)-4-isopropylbenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione","(Z)-3-(1-(2-(E)-4-isopropylbenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C252 H240 N24 O36 -","12","3","","Dekić, Vidoslav S.; Dekić, Biljana R.; Sejmanović, Dragana M.; Janićević, Suzana; Krüger, Biljana; Kahlenberg, Volker; Rodić, Marko V.","The crystal structure of (Z)-3-(1-(2-((E)-4-isopropylbenzylidene)hydrazinyl)ethylidene) chroman-2,4-dione, C21H20N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","521","524","10.1515/ncrs-2023-0062","","x-ray","0.71073","MoKα","","0.1254","0.0672","","","0.1226","0.146","","","","","","1.031","","","","has coordinates","285243","2023-07-17","08:50:17",""
"8107485","7.94","0.0008","8.1071","0.0009","13.3238","0.0015","89.394","0.009","76.343","0.009","63.411","0.011","740.79","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F4 O -","- C18 H12 F4 O -","- C36 H24 F8 O2 -","2","1","","Zhang, Juan; Hou, Yun; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of E-7-fluoro-2-(2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H12F4O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","525","527","10.1515/ncrs-2023-0066","","","0.71073","MoKα","","0.0751","0.0472","","","0.1051","0.1244","","","","","","1.017","","","","has coordinates","285244","2023-07-17","08:52:44",""
"8107486","10.1669","0.0006","8.0831","0.0004","13.1012","0.0008","90","","91.221","0.005","90","","1076.41","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N6 O6 Zn -","- C18 H24 N6 O6 Zn -","- C36 H48 N12 O12 Zn2 -","2","0.5","","Hong, Dong-feng; Ye, Jia-Qi; Guo, Wen-Bo","Crystal structure of bis(6-aminopyridine-2-carboxylato–k2O,N)-bis(N,N-dimethylformamide-k1 O)zinc(II), C18H24N6O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","529","531","10.1515/ncrs-2023-0069","","x-ray","0.71073","MoKα","","0.0599","0.0396","","","0.0896","0.0987","","","","","","1.058","","","","has coordinates","285245","2023-07-17","08:55:58",""
"8107487","6.7323","0.0001","15.4999","0.0002","23.7905","0.0004","90","","93.037","0.002","90","","2479.05","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 F3 N4 O S -","- C25 H31 F3 N4 O S -","- C100 H124 F12 N16 O4 S4 -","4","1","","Al-Wahaibi, Lamya H.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 5-(adamantan-1-yl)-3-[(4-{[2-(trifluoromethyl)phenyl]-methyl}piperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione, C25H31F3N4OS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","533","535","10.1515/ncrs-2023-0070","","x-ray","1.54184","CuKα","","0.0857","0.0473","","","0.1144","0.1394","","","","","","1.022","","","","has coordinates","285974","2023-09-04","07:10:26",""
"8107488","8.7551","0.0001","15.117","0.0002","16.8843","0.0002","76.272","0.001","78.397","0.001","88.277","0.001","2126.09","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H72 N10 O7 S2 -","- C30 H72 N10 O7 S2 -","- C60 H144 N20 O14 S4 -","2","1","","Zhang, Lulu; Han, Qianqian; Zhu, Xin","Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea – water (2/2/1), C30H72N10O7S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","537","539","10.1515/ncrs-2023-0072","","","0.71073","MoKα","","0.0534","0.0407","","","0.1174","0.1282","","","","","","1.084","","","","has coordinates","285975","2023-09-04","07:13:08",""
"8107489","13.0247","0.0004","17.0204","0.0005","34.1475","0.0009","90","","90","","90","","7570","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C61 H50 Cl2 Fe2 I12 N12 -","- C61 H50 Cl2 Fe2 I12 N12 -","- C244 H200 Cl8 Fe8 I48 N48 -","4","0.5","","Cui, Chuanguo; Zhang, Jinxiao; Xiao, Zhiyin","Crystal structure of tris(2,2′-bipyridine-κ2 N,N′)iron(II) triiodide – dichloromethane (2/1), C61H50Cl2Fe2I12N12","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","541","543","10.1515/ncrs-2023-0075","","x-ray","0.71073","MoKα","","0.0815","0.0694","","","0.1551","0.1605","","","","","","1.124","","","","has coordinates","285976","2023-09-04","07:15:51",""
"8107490","9.4347","0.0009","15.6392","0.0015","11.0939","0.0011","90","","100.215","0.002","90","","1611","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","1","","Lian, Ze-Yi; Wu, Wei-Na","Crystal structure of 2-amino-3-[2-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-ethylideneamino]-but-2-enedinitrile, C17H17N5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","545","546","10.1515/ncrs-2023-0078","","","0.71073","MoKα","","0.0532","0.0392","","","0.1001","0.1105","","","","","","1.025","","","","has coordinates","285977","2023-09-04","07:28:57",""
"8107491","8.9579","0.0003","12.2172","0.0004","12.5669","0.0005","90","","90","","90","","1375.33","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl N2 O -","- C14 H19 Cl N2 O -","- C56 H76 Cl4 N8 O4 -","4","1","","Li, Yuanci; Feng, Zhiqiang; Tong, Hongjuan","The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","547","549","10.1515/ncrs-2023-0080","","","0.71073","MoKα","","0.0713","0.0541","","","0.1338","0.1449","","","","","","1.043","","","","has coordinates","285978","2023-09-04","07:56:29",""
"8107492","8.293","0.003","10.987","0.003","16.432","0.005","90","","90","","90","","1497.2","0.8","173","2","173","2","","","","","","","","3","P c m a","-P 2ac 2ac","55","","","","- K2 Pd Se10 -","- K2 Pd Se10 -","- K8 Pd4 Se40 -","4","0.5","","Kim, Kang-Woo","Crystal structure of potassium bis(pentaselenido-κ 2 Se 1,Se 5)palladate(II), K2[Pd(Se5)2]","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","551","553","10.1515/ncrs-2023-0081","","","0.71073","MoKα","","0.069","0.0349","","","0.0605","0.0688","","","","","","0.967","","","","has coordinates","285979","2023-09-04","08:00:43",""
"8107493","8.4865","0.0014","11.756","0.002","12.863","0.002","69.693","0.002","70.812","0.002","72.17","0.002","1109.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O2 S4 -","- C22 H22 N2 O2 S4 -","- C44 H44 N4 O4 S8 -","2","1","","Ni, Ming; Ni, Penghui","The crystal structure of 5,10-bis(2-methoxyethyl)-5,10-dihydro-[1,2,3,4]tetrathiocino[5,6-b:8, 7-b′]diindole, C22H22N2O2S4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","555","557","10.1515/ncrs-2023-0083","","","0.71073","MoKα","","0.0307","0.028","","","0.0728","0.0753","","","","","","1.064","","","","has coordinates","285980","2023-09-04","08:09:46",""
"8107494","11.806","0.0019","7.8961","0.0014","11.972","0.002","90","","110.981","0.002","90","","1042.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 I N S3 -","- C8 H4 I N S3 -","- C32 H16 I4 N4 S12 -","4","1","","Liao, Huiyang; Ni, Penghui","The crystal structure of 4-(4-iodophenyl)-5H-1,2,3-dithiazole-5-thione, C8H4INS3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","559","561","10.1515/ncrs-2023-0084","","","0.71073","MoKα","","0.0331","0.0279","","","0.0702","0.0739","","","","","","1.037","","","","has coordinates","285981","2023-09-04","08:51:18",""
"8107495","12.3134","0.0005","12.7705","0.0005","14.515","0.0006","70.852","0.001","80.298","0.001","65.726","0.001","1964.05","0.14","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H78 Dy2 N4 O28 -","- C84 H78 Dy2 N4 O28 -","- C84 H78 Dy2 N4 O28 -","1","0.5","","Wang, Li-Hua; Tai, Hao-Wen; Zhao, Mei-Li; Tai, Xi-Shi","Crystal structure of bis{μ2-(4-acetyl-phenoxy)acetato-κ2 O:O′}-bis{μ2-(4-acetyl-phenoxy)acetato-κ3 O,O′:O)- bis{(4-acetyl-phenoxy)acetato-κ2 O,O′}-bis(phenanthrolin-κ2 N,N′)didysprosium(III) tetrahydrate, C84H78N4O28Dy2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","563","565","10.1515/ncrs-2023-0086","","x-ray","0.71073","MoKα","","0.0545","0.0381","","","0.0621","0.0682","","","","","","1.065","","","","has coordinates","285982","2023-09-04","08:55:16",""
"8107496","9.1693","0.0007","9.1693","0.0007","13.2443","0.0013","90","","90","","120","","964.34","0.14","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Eu2 Pd3.366 Zn13.634 -","- Eu2 Pd3.369 Zn13.631 -","- Eu6 Pd10.107 Zn40.893 -","3","0.0833333","","Klenner, Steffen; Block, Theresa; Pöttgen, Rainer","Crystal structure of Eu2Pd3.37(1)Zn13.63(1)","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","567","569","10.1515/ncrs-2023-0091","","x-ray","0.71073","MoKα","","0.0182","0.0119","","","0.0268","0.0287","","","","1.01","1.01","0.99","","","","has coordinates","285983","2023-09-04","08:59:01",""
"8107497","14.7536","0.0006","7.8281","0.0003","14.0501","0.0007","90","","111.174","0.005","90","","1513.13","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methoxy-4-(methoxycarbonyl)phenyl 2-chloro-4-fluorobenzoate","","- C16 H12 Cl F O5 -","- C16 H12 Cl F O5 -","- C64 H48 Cl4 F4 O20 -","4","1","","Xiong, Xin-Ting; Xiao, Pan-Lei; Ou-Yang, Xiao-Hui; Nie, Xu-Liang; Song, Xiu-Ying","Crystal structure of 2-methoxy-4-(methoxy-carbonyl)phenyl 2-chloro-4-fluorobenzoate, C16H12ClFO5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","571","573","10.1515/ncrs-2023-0092","","","0.71073","MoKα","","0.0465","0.0367","","","0.0806","0.0865","","","","","","1.022","","","","has coordinates","286370","2023-09-18","07:07:56",""
"8107498","7.2431","0.0005","7.3783","0.0005","9.874","0.0006","110.174","0.006","105.036","0.005","92.219","0.005","473.55","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Cu N8 -","- C18 H14 Cu N8 -","- C18 H14 Cu N8 -","1","0.5","","Tan, Chong; Zhang, Tong; Yi, Xiaodong","Crystal structure of catena-poly[bis(μ2-dicyanamide-κ2 N:N′)-bis(4-vinylpyridine-κN)-copper(II)], C18H14CuN8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","575","576","10.1515/ncrs-2023-0100","","x-ray","1.54184","CuKα","","0.0457","0.0409","","","0.124","0.1272","","","","","","1.191","","","","has coordinates","286371","2023-09-18","07:16:44",""
"8107499","5.4146","0.0004","11.7925","0.0008","16.9527","0.0012","85.238","0.002","86.674","0.002","78.959","0.002","1057.77","0.13","295.78","","295.78","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O7 S -","- C20 H21 N3 O7 S -","- C40 H42 N6 O14 S2 -","2","1","","Ma, Wen-Jing; Wang, Hao; Wang, Zhen-Yu; Long, Yu-Xuan; Wang, Xin-Qi; Ma, Qian; Xu, Cui-Ran; Ma, Yu-Heng","The crystal structure of iguratimod-dimethylformamide (1/1), C17H14N2O6S·C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","577","578","10.1515/ncrs-2023-0101","","","1.54178","CuKα","","0.0448","0.0418","","","0.1142","0.1175","","","","","","1.079","","","","has coordinates","286372","2023-09-18","07:20:16",""
"8107500","6.3144","0.0008","9.7315","0.0013","10.5867","0.0014","111.561","0.004","96.486","0.004","97.128","0.004","591.41","0.14","273","2","273","2","","","","","","","","4","P 1","P 1","1","","1-((3<i>R</i>,10<i>S</i>,13<i>S</i>,17<i>S</i>)-10,13- dimethyl-3-(m-tolylamino)hexadecahydro-1<i>H</i>- cyclopenta[<i>α</i>]phenanthren-17-yl)ethan-1-one","","- C28 H41 N O -","- C28 H41 N O -","- C28 H41 N O -","1","1","","Zhao, Jin-Feng; Zhang, Wen-Wen; Ye, Jiang-Hai; He, Kang; Zou, Juan","Synthesis and crystal structure of 1-((3R,10S,13S,17S)-10,13-dimethyl-3-(m-tolylamino)hexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","579","581","10.1515/ncrs-2023-0105","","","0.71073","MoKα","","0.1444","0.0579","","","0.1358","0.1687","","","","","","0.995","","","","has coordinates","286373","2023-09-18","07:23:29",""
"8107501","29.43","0.02","4.774","0.004","11.658","0.009","90","","103.194","0.007","90","","1595","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-bromo-2-formylphenoxy)zinc dihydrate","","- C14 H12 Br2 O6 Zn -","- C14 H12 Br2 O6 Zn -","- C56 H48 Br8 O24 Zn4 -","4","0.5","","Zou, Fei; Zhang, Sheng-Ting; Chen, Jue-Yuan; Yuan, Lin","The crystal structure of diaqua-bis(4-bromo-2-formylphenoxy)zinc(II), C14H12Br2O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","583","584","10.1515/ncrs-2023-0107","","","0.71073","MoKα","","0.0265","0.0235","","","0.0631","0.0647","","","","","","1.078","","","","has coordinates","286374","2023-09-18","07:27:03",""
"8107502","10.3933","0.0004","12.5655","0.0005","14.1841","0.0005","65.373","0.001","70.351","0.001","88.052","0.002","1573.62","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H33 N10 O7 V2 -","- C25 H33 N10 O7 V2 -","- C50 H66 N20 O14 V4 -","2","1","","Li, Na; Wang, Xiao-Jie; Qin, Yu-Cai; Wang, Jing-Yun","The crystal structure of tetra(1-ethylimidazole-κ 1 N)-[μ 4-imidazole-4,5-dicarboxylato-κ 4 O, N, O′, N′]-trioxido-divanadium, C25H33N10O7V2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","585","587","10.1515/ncrs-2023-0110","","","0.71073","MoKα","","0.0591","0.0362","","","0.077","0.0885","","","","","","1.057","","","","has coordinates,has disorder","286375","2023-09-18","07:31:03",""
"8107503","9.2751","0.0007","13.1232","0.0007","11.7155","0.0008","90","","90.011","0.007","90","","1426","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O2 -","- C16 H15 F N2 O2 -","- C64 H60 F4 N8 O8 -","4","1","","Yang, Sha; Men, Jing; Tang, Wenqiang","The crystal structure of (E)-N′-(1-(4-fluorophenyl)propylidene)-2-hydroxybenzohydrazide, C16H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","589","591","10.1515/ncrs-2023-0113","","","0.71073","MoKα","","0.0796","0.057","","","0.1332","0.1462","","","","","","1.031","","","","has coordinates","286376","2023-09-18","07:33:47",""
"8107504","4.1681","0.0002","10.6704","0.0006","10.2381","0.0006","90","","95.134","0.002","90","","453.52","0.04","295","","295","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H2 K N3 O7 -","- C6 H2 K N3 O7 -","- C12 H4 K2 N6 O14 -","2","0.5","","Luo, Xinyao; Chen, Cuilian; Hu, Zunjian; Wang, Fei; Sun, Shanhu; Suo, Zhirong; Su, Li","Crystal structure of a polymorph of potassium picrate, C6H2KN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","593","594","10.1515/ncrs-2023-0068","","","0.71073","MoKα","","0.0605","0.0404","","","0.0855","0.0967","","","","","","1.037","","","","has coordinates","286377","2023-09-18","07:37:04",""
"8107505","13.4569","0.0016","4.7592","0.0005","11.9902","0.0013","90","","94.914","0.002","90","","765.08","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C40 H28 N8 -","2","0.5","","Liao, Fuguang; Yuan, Shuhao; Nie, Weifeng; Yi, Zirong; Zhang, Qian; Yan, Shiyu; Cui, Ying","The crystal structure of (1E,2E)-1,2-bis(quinolin-2-ylmethylene)hydrazine, C20H14N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","595","596","10.1515/ncrs-2023-0089","","","0.71073","MoKα","","0.0414","0.0333","","","0.0889","0.0935","","","","","","1.076","","","","has coordinates","286378","2023-09-18","07:39:43",""
"8107506","7.8107","0.0011","9.1644","0.0013","11.3521","0.0015","67.543","0.002","72.776","0.002","88.529","0.002","713.76","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","5-amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide","","- C11 H15 Cl F N3 O3 S -","- C11 H15 Cl F N3 O3 S -","- C22 H30 Cl2 F2 N6 O6 S2 -","2","1","","Jie, Wang; Xiao, Shu-Zhen; Cong, Huang; Liu, Ya-Qiang; Peng, Da-Yong","5-Amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide, C11H15O3ClFN3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","597","598","10.1515/ncrs-2023-0097","","","0.71073","MoKα","","0.0427","0.0385","","","0.1191","0.1338","","","","","","1.171","","","","has coordinates","286379","2023-09-18","07:42:41",""
"8107507","8.3115","0.0002","8.8263","0.0002","9.7688","0.0002","111.49","0.002","115.056","0.002","93.681","0.002","583.26","0.03","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H42 N6 -","- C22 H42 N6 -","- C22 H42 N6 -","1","0.5","","Rabi, Saswata; Dey, Lucky; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Crystal structure of trans-N 1,N 8-bis(2-cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H42N6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","599","601","10.1515/ncrs-2023-0103","","","1.54184","CuKα","","0.0486","0.0465","","","0.1325","0.1351","","","","","","1.06","","","","has coordinates","286380","2023-09-18","07:45:40",""
"8107508","17.1316","0.0008","10.1173","0.0003","18.2252","0.0008","90","","117.195","0.003","90","","2809.7","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl3 N O4 Si -","- C30 H26 Cl3 N O4 Si -","- C120 H104 Cl12 N4 O16 Si4 -","4","1","","Böhme, Uwe; Fels, Sabine","The crystal structure of [N-{[2-(oxy)-4-methoxyphenyl](phenyl)methylidene}alaninato]-diphenyl-silicon(IV) – chloroform (1/1), C29H25NO4Si·CHCl3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","603","605","10.1515/ncrs-2023-0109","","","0.71073","MoKα","","0.0562","0.0431","","","0.096","0.105","","","","","","1.117","","","","has coordinates,has disorder","286381","2023-09-18","07:49:55",""
"8107509","11.4073","0.0011","16.9013","0.0014","11.8261","0.0012","90","","108.297","0.004","90","","2164.8","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H39 Fe2 N O4 P2 S2 -","- C48 H39 Fe2 N O4 P2 S2 -","- C96 H78 Fe4 N2 O8 P4 S4 -","2","1","","Gao, Xin-Ping; Lü, Shuang; Li, Qian-Li","Crystal structure of tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe–Fe), C48H39Fe2NO4P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","607","609","10.1515/ncrs-2023-0115","","","0.71073","MoKα","","0.0437","0.0355","","","0.0714","0.074","","","","","","1.043","","","","has coordinates","286398","2023-09-19","06:46:01",""
"8107510","8.8806","0.0008","5.4539","0.0005","7.157","0.0007","90","","90","","90","","346.64","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","Paulsen, Christian; Galéa-Clolus, Valérie; Pöttgen, Rainer","Crystal structure of baryte from Mine du Pradet (France)","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","611","613","10.1515/ncrs-2023-0117","","x-ray","0.71073","MoKα","","0.0236","0.0141","","","0.0315","0.0329","","","","1.07","1.07","0.98","","","","has coordinates","286399","2023-09-19","06:50:37",""
"8107511","11.4951","0.0001","8.6966","0.0001","21.1454","0.0002","90","","105.433","0.001","90","","2037.65","0.04","294.1","0.1","294.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cu N3 O5 -","- C23 H17 Cu N3 O5 -","- C92 H68 Cu4 N12 O20 -","4","1","","Zeng-Bing, Zhao; Xue-Ping, Li; Shu-Cheng, Yang; Bing-Qi, Yang; Ze-Tao, Wang; Lan-Xing, Cheng; Xi-Shi, Tai","The crystal structure of [(2,2′-bipyridine-6-carboxylato-κ3 N,N,O)-(6-phenylpyridine-2-carboxylate-κ2 N,O)copper(II)] monohydrate, C23H17N3O5Cu","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","615","617","10.1515/ncrs-2023-0118","","x-ray","1.54184","CuKα","","0.0309","0.0298","","","0.0852","0.0862","","","","","","0.994","","","","has coordinates","286400","2023-09-19","06:57:36",""
"8107512","12.8144","0.0011","17.9714","0.0015","19.1077","0.0017","90","","104.329","0.004","90","","4263.5","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 Fe2 N O4 P2 Se2 -","- C47 H37 Fe2 N O4 P2 Se2 -","- C188 H148 Fe8 N4 O16 P8 Se8 -","4","1","","Bai, Shu-Fen; Lü, Shuang; Li, Qian-Li","Crystal structure of bis(μ-benzeneselenolato)-(μ-[N-benzyl-N-(diphenylphosphanyl)-P,P-diphenylphosphinous amide])-tetracarbonyl diiron (Fe–Fe), C47H37Fe2NO4P2Se2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","619","621","10.1515/ncrs-2023-0119","","","0.71073","MoKα","","0.0898","0.042","","","0.0835","0.0968","","","","","","1.001","","","","has coordinates","286401","2023-09-19","07:00:29",""
"8107513","14.544","0.006","9.636","0.004","17.087","0.007","90","","96.664","0.006","90","","2378.5","1.7","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-thiophenecarboxylato-? O-( 2,2'-dipyridyl -?2 N, N') manganese(II),","","- C21 H22 Mn N2 O7 S2 -","- C21 H22 Mn N2 O7 S2 -","- C84 H88 Mn4 N8 O28 S8 -","4","1","","Shi, Zheng; Zhang, Zhongyu; Han, Bing; Li, Yunyun","The crystal structure of diaqua-methanol-κ1 O- (3-thiophenecarboxylato-κO)-(2,2′-dipyridyl-κ2 N,N′)manganese(II) 3-thiophenecarboxylate, C21H22N2O7S2Mn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","623","625","10.1515/ncrs-2023-0123","","","0.71073","MoKα","","0.0434","0.0349","","","0.0967","0.1036","","","","","","1.044","","","","has coordinates,has disorder","286402","2023-09-19","07:04:37",""
"8107514","12.11","0.002","12.406","0.002","13.744","0.003","79.547","0.002","82.072","0.002","87.257","0.002","2010.6","0.6","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 N6 O6 Sn2 -","- C34 H50 N6 O6 Sn2 -","- C68 H100 N12 O12 Sn4 -","2","1","","Gao, Zhongjun; Zhang, Haifeng","Crystal structure of catena-poly[tetrakis(butyl)-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O:O,O′,N-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O,N,O′:N′-ditin(IV)], C34H50N6O6Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","627","629","10.1515/ncrs-2023-0124","","","0.71073","MoKα","","0.0615","0.0471","","","0.1221","0.1392","","","","","","1.048","","","","has coordinates","286403","2023-09-19","07:29:31",""
"8107515","4.8813","0.0002","6.7806","0.0002","10.3135","0.0002","98.101","0.002","94.174","0.002","97.612","0.003","333.515","0.018","160","2","160","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H10 Cl N3 O3 -","- C14 H10 Cl N3 O3 -","- C14 H10 Cl N3 O3 -","1","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","631","633","10.1515/ncrs-2023-0125","","x-ray","1.54184","CuKα","","0.0273","0.027","","","0.0741","0.0743","","","","","","1.109","","","","has coordinates","286404","2023-09-19","07:32:44",""
"8107516","12.2875","0.0014","8.3031","0.001","13.1242","0.0015","90","","100.064","0.001","90","","1318.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-(1'-deoxy-3',5'-O-dibenzy-<i>??</i>-D-ribosyl)adenine'","3-(1'-deoxy-3',5'-O-dibenzy-<i>??</i>-D-ribosyl)adenine","","- C49 H52 Cl2 N10 O6 -","- C49 H52 Cl2 N10 O6 -","- C49 H52 Cl2 N10 O6 -","1","0.5","","Wang, Pingqiao; Zhu, Yunlong; Ding, Haixin; Huang, Haiyang","The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","635","637","10.1515/ncrs-2023-0126","","","0.71073","MoKα","","0.0918","0.0736","","","0.1461","0.1545","","","","","","1.012","","","","has coordinates,has disorder","286405","2023-09-19","07:35:50",""
"8107517","8.2818","0.0006","17.0495","0.001","10.2429","0.0007","90","","98.98","0.006","90","","1428.58","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C64 H68 N12 O4 -","4","1","","Qiao, Ai-Li; Guo, Zheng-Feng","The crystal structure of (Z)-4-amino-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H17N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","639","640","10.1515/ncrs-2023-0127","","","0.71073","MoKα","","0.0817","0.0629","","","0.1377","0.1461","","","","","","1.117","","","","has coordinates","286406","2023-09-19","07:39:06",""
"8107518","8.434","0.0017","12.172","0.002","12.816","0.003","89.98","0.03","77.41","0.03","72.52","0.03","1221.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cl N2 O6 S -","- C26 H21 Cl N2 O6 S -","- C52 H42 Cl2 N4 O12 S2 -","2","1","","Ma, Yu-Heng; Zhu, Miao-Miao; Zhang, Chun-Ni; Tang, Xiao-Sa; Zhang, Wei-Guo; Ma, Wen-Jing","The co-crystal structure of etoricoxib–phthalic acid (1/1), C18H15ClN2O2S·C8H6O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","641","643","10.1515/ncrs-2023-0129","","","0.71073","MoKα","","0.0681","0.0482","","","0.1214","0.1344","","","","","","1.045","","","","has coordinates","286407","2023-09-19","07:42:11",""
"8107519","14.27","0.003","9.918","0.002","17.603","0.004","90","","90","","90","","2491.4","0.9","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H42 Cl N5 Ni O7 -","- C18 H42 Cl N5 Ni O7 -","- C72 H168 Cl4 N20 Ni4 O28 -","4","1","","Zhang, Zu-Jiao; Ou, Guang-Chuan","Crystal structure of (glycinto-κ 2 O,N ′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N ′,N ″,N ‴]nickel(II) perchlorate monohydrate C18H42ClN5NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","645","647","10.1515/ncrs-2023-0131","","","0.71073","MoKα","","0.0646","0.0382","","","0.0761","0.0861","","","","","","1.029","","","","has coordinates","286408","2023-09-19","07:45:02",""
"8107520","11.7411","0.0007","13.7831","0.0009","13.5425","0.001","90","","97.564","0.002","90","","2172.5","0.3","298.15","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O6 Zn -","- C19 H20 N4 O6 Zn -","- C76 H80 N16 O24 Zn4 -","4","1","","Guo, Ya-Fei; Chen, Bao-Kuan","The crystal structure of catena-poly[bis(1-ethylimidazole-k1 N)-(μ 2-benzene-1-carboxyl-3,5-dicarboxylato-κ 2 O, O′)zinc(II)], C19H20N4O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","649","651","10.1515/ncrs-2023-0132","","","0.71073","MoKα","","0.1106","0.0645","","","0.1426","0.1643","","","","","","1.035","","","","has coordinates,has disorder","286409","2023-09-19","07:47:44",""
"8107521","11.08447","0.00014","10.71473","0.00016","19.5463","0.0003","90","","90","","90","","2321.46","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2- carboxylic acid, C11H12N2O4S,C~11~H~12~N~2~O~4~S~1~","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C88 H96 N16 O32 S8 -","8","1","","Song, Jinqing; Cui, Beibei; Mi, Xia; Zhang, Jingyu","Crystal structure of 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C11H12N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","653","654","10.1515/ncrs-2023-0133","","x-ray","1.54184","CuKα","","0.0497","0.045","","","0.1217","0.1275","","","","","","1.047","","","","has coordinates","286410","2023-09-19","08:38:29",""
"8107522","7.4462","0.0001","7.4462","0.0001","8.5838","0.0004","90","","90","","90","","475.94","0.02","293","","293","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","keatite","","","- O6 Si3 -","- O6 Si3 -","- O24 Si12 -","4","0.5","","Grosskreuz, Isabel; Marler, Bernd","Rietveld structure analysis of keatite, a rare, metastable SiO2 polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","655","657","10.1515/ncrs-2023-0135","powder diffraction","","","CuKα","","","","","","","","","3.334","1.8253","","","","","","","has coordinates","286411","2023-09-19","09:14:50",""
"8107523","9.0033","0.0004","10.1338","0.0005","15.5122","0.0008","96.164","0.004","100.835","0.004","113.867","0.005","1244.4","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Co N6 O7 -","- C26 H22 Co N6 O7 -","- C52 H44 Co2 N12 O14 -","2","1","","He, Chao-Jun; Wang, Zhou-Qin; Wang, Yu-Fang","Crystal structure of catena-poly[(μ2-isophthalato-k3 O,O′:O″)(4-(4-pyridyl)-2,5-dipyrazylpyridine-k3 N,N′,N″)cobalt(II)] trihydrate C26H22N6O7Co1","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","659","661","10.1515/ncrs-2023-0138","","x-ray","0.71073","MoKα","","0.0643","0.0473","","","0.0942","0.1023","","","","","","1.06","","","","has coordinates","286412","2023-09-19","09:26:37",""
"8107524","8.891","0.002","17.938","0.005","25.996","0.006","90","","90","","90","","4146","1.8","296.15","","296.15","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C176 H176 O56 -","8","1","","Wu, Binbin; Chen, Guangying; Ding, Haixin","Crystal structure of 3,5–di-O-benzoyl-1,2-O-isopropylidene-α–D-ribose, C22H22O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","663","665","10.1515/ncrs-2023-0140","","","0.71073","MoKα","","0.0772","0.0461","","","0.1043","0.1189","","","","","","0.976","","","","has coordinates","286413","2023-09-19","09:29:58",""
"8107525","7.2645","0.0001","10.0607","0.0001","20.7717","0.0002","90","","97.18","0.001","90","","1506.22","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Br N3 O6 Re -","- C13 H7 Br N3 O6 Re -","- C52 H28 Br4 N12 O24 Re4 -","4","1","","Mkhatshwa, Marcus; Malan, Frederick P.; Makgopa, Katlego; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(6-bromo-2,2-bipyridine-κ2 N,N)-(nitrato-κO)rhenium(I), C13H7BrN3O6Re","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","667","669","10.1515/ncrs-2023-0141","","","1.54184","CuKα","","0.0363","0.0359","","","0.0808","0.081","","","","","","1.129","","","","has coordinates","286445","2023-09-21","07:58:59",""
"8107526","8.375","0.002","22.018","0.006","9.237","0.003","90","","106.271","0.003","90","","1635.1","0.8","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","The crystal structure of (E)-N'-(4-hydroxy-3-methoxybenzylidene)-2- naphthohydrazide monohydrate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Zhang, Sheng-Ting; Zou, Fei; Lai, Ni; Yuan, Lin; Li, Zhong-Yan","The crystal structure of (E)-N′-(4-hydroxy-3-methoxybenzylidene)-2-naphthohydrazide monohydrate, C19H18N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","671","672","10.1515/ncrs-2023-0142","","","0.71073","MoKα","","0.0609","0.0427","","","0.1068","0.1185","","","","","","1.064","","","","has coordinates","286446","2023-09-21","08:03:37",""
"8107527","6.6836","0.0011","8.9933","0.0011","11.5062","0.0019","77.128","0.012","87.684","0.014","89.975","0.012","673.65","0.18","293","0.1","293","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O4 Se2 -","- C14 H10 O4 Se2 -","- C28 H20 O8 Se4 -","2","1","","Tingting, Lin; Qiuling, Peng; Meiyun, Lv; Mengping, Guo","The crystal structure of 5,5′-diselanediyl-bis(2-hydroxybenzaldehyde), C14H10O4Se2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","673","674","10.1515/ncrs-2023-0143","","x-ray","0.71073","MoKα","","0.0721","0.0564","","","0.1357","0.1512","","","","","","1.083","","","","has coordinates","286496","2023-09-25","08:18:09",""
"8107528","7.9137","0.0006","8.5766","0.0013","10.97","0.003","70.266","0.019","81.258","0.014","78.728","0.011","684.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Fe N6 O4 Pt -","- C28 H22 Fe N6 O4 Pt -","- C28 H22 Fe N6 O4 Pt -","1","0.5","","Lu, Jitao; Wu, Xiaolin; Zhang, Youwei; Xiao, Yufang","The crystal structure of catena-poly[diaqua-m2-dicyanido-κ2 C:N-dicyanido-κ1 C-bis(4-(pyridin-4-yl)benzaldehyde-κ1N)iron(II)-platinum(II), C28H22N6O4PtFe","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","675","677","10.1515/ncrs-2023-0145","","","0.71073","MoKα","","0.0426","0.0408","","","0.0648","0.0657","","","","","","0.94","","","","has coordinates","286497","2023-09-25","08:21:39",""
"8107529","17.7218","0.0004","20.7769","0.0005","14.9434","0.0003","90","","113.598","0.003","90","","5042.1","0.2","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N4 -","- C32 H28 N4 -","- C256 H224 N32 -","8","2","","Dey, Lucky; Rabi, Saswata; Palit, Debashis; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Redetermination of the crystal structure of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo(b,i)(1,4,8,11)tetra-azacyclotetradecine, C32H28N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","679","682","10.1515/ncrs-2023-0146","","","1.54184","CuKα","","0.0659","0.0519","","","0.1433","0.1544","","","","","","1.031","","","","has coordinates","286498","2023-09-25","08:25:24",""
"8107530","15.1344","0.0002","15.1344","0.0002","26.5431","0.0006","90","","90","","90","","6079.7","0.18","150","2","150.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H10 N2 O7 Pb -","- C16 H10 N2 O7 Pb -","- C256 H160 N32 O112 Pb16 -","16","1","","Zhang, Yujie; Xiong, Shushu; He, Yongke","Crystal structure of poly[(μ3-2-(3,5-dicarboxyphenyl) benzimidazole-6-carboxylato-κ4O:O:O′:O″)lead(II)] monohydrate, C16H10N2O7Pb","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","683","684","10.1515/ncrs-2023-0149","","","0.71073","MoKα","","0.0485","0.0419","","","0.096","0.0991","","","","","","1.115","","","","has coordinates","286499","2023-09-25","08:29:39",""
"8107531","12.9572","0.0002","9.1568","0.0002","17.3658","0.0003","90","","97.267","0.002","90","","2043.84","0.07","153.76","0.1","153.76","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N5 O6 Re -","- C20 H14 N5 O6 Re -","- C80 H56 N20 O24 Re4 -","4","1","","Sithole, Sibusiso A.; Malan, Federick P.; Katerere, David R.; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(2-pyridin-2-yl-quinoline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C20H14N4O3ReNO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","685","687","10.1515/ncrs-2023-0152","","x-ray","0.71073","MoKα","","0.0296","0.0231","","","0.0498","0.0514","","","","","","1.052","","","","has coordinates","286500","2023-09-25","08:33:24",""
"8107532","10.4091","0.0002","10.6868","0.0002","21.3533","0.0004","84.658","0.001","89.764","0.001","64.918","0.001","2140.36","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H68 Br2 Cl2 O2 Os P2 -","- C39 H68 Br2 Cl2 O2 Os P2 -","- C78 H136 Br4 Cl4 O4 Os2 P4 -","2","1","","Monareng, Jubrey M.; Clayton, Hadley S.","Crystal structure of dibromo-dicarbonyl-bis(tricyclohexylphosphine)-osmium(II) dichloromethane solvate, C38H66Br2O2OsP2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","689","692","10.1515/ncrs-2023-0153","","x-ray","0.71073","MoKα","","0.0267","0.0248","","","0.0572","0.0578","","","","","","1.171","","","","has coordinates","286501","2023-09-25","08:35:59",""
"8107533","6.8548","0.0014","12.482","0.003","17.162","0.004","90","","112.54","0.03","90","","1356.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 Cu N10 O10 -","- C22 H22 Cl2 Cu N10 O10 -","- C44 H44 Cl4 Cu2 N20 O20 -","2","0.5","","Kan, Sujuan; Ma, Yawei; Chen, Chunjie; Qian, Jun","Crystal structure of poly[bis(μ 2-2,6-bis(1-imidazoly)pyridine-κ 2 N:N′)copper(II)] diperchlorate dihydrate, C22H22Cl2CuN10O10","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","693","695","10.1515/ncrs-2023-0155","","","0.71073","MoKα","","0.0679","0.0575","","","0.1639","0.1726","","","","","","1.085","","","","has coordinates","286502","2023-09-25","08:40:17",""
"8107534","15.1264","0.0004","15.1167","0.0005","20.15","0.0006","90","","90","","90","","4607.5","0.2","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N3 O4 Re S -","- C23 H24 N3 O4 Re S -","- C184 H192 N24 O32 Re8 S8 -","8","1","","Makhakhayi, Luleka; Malan, Frederick P.; Tembu, Vuyelwa J.; Nkambule, Comfort M.; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","697","699","10.1515/ncrs-2023-0157","","","0.71073","MoKα","","0.0586","0.0416","","","0.0659","0.0691","","","","","","1.16","","","","has coordinates","286503","2023-09-25","08:44:37",""
"8107535","7.957","0.0014","8.9872","0.0019","9.3974","0.0016","94.467","0.016","96.737","0.014","103.162","0.016","646","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 F2 O -","- C17 H12 F2 O -","- C34 H24 F4 O2 -","2","1","","Wei, Pan-Pan; Meng, Qing-Guo; Wang, Bao-Gang; Hou, Gui-Ge; Song, Ya-Bin","Crystal structure of (E)-7-fluoro-2-(4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","701","703","10.1515/ncrs-2023-0159","","","0.71073","MoKα","","0.067","0.0417","","","0.0954","0.1112","","","","","","1.025","","","","has coordinates","286504","2023-09-25","08:48:28",""
"8107536","19.1993","0.001","7.144","0.0004","18.3726","0.001","90","","105.841","0.002","90","","2424.3","0.2","273","2","273","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-((3<i>R</i>,10<i>S</i>,13<i>S</i>,17<i>S</i>)-3- ((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro- 1<i>H</i>-cyclopenta[<i>α</i>]phenanthren-17-yl)ethan -1-one","","- C28 H41 N O2 -","- C28 H41 N O2 -","- C112 H164 N4 O8 -","4","1","","Ye, Jiang-Hai; Chen, Ren-Song; Zhang, Wen-Wen; He, Kang; Zou, Juan","Synthesis and crystal structure of 1-((3R,10S,13S, 17S)-3-((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","705","707","10.1515/ncrs-2023-0161","","","0.71073","MoKα","","0.0762","0.0482","","","0.1108","0.1257","","","","","","1.032","","","","has coordinates","286505","2023-09-25","08:51:33",""
"8107537","7.4939","0.0002","10.1316","0.0002","13.8351","0.0003","103.453","0.002","101.992","0.002","107.88","0.002","926.98","0.04","150.04","0.15","150.04","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N4 O6 Re -","- C15 H16 N5 O6 Re -","- C30 H32 N10 O12 Re2 -","2","1","","Ramoba, Lesetja V.; Alexander, Orbett T.; Malan, Frederick P.; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl((pyridin-2-yl)methanamino-κ2 N,N′)-((pyridin-2-yl)methanamino-κN)rhenium(I) nitrate, C15H16O3N4Re","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","709","711","10.1515/ncrs-2023-0164","","x-ray","0.71073","MoKα","","0.0373","0.0341","","","0.0846","0.0861","","","","","","1.074","","","","has coordinates","286506","2023-09-25","08:55:06",""
"8107538","8.6681","0.0002","13.0695","0.0003","14.1408","0.0004","80.13","0.002","86.409","0.002","75.761","0.002","1529.43","0.07","295.52","0.1","295.52","0.1","","","","","","","","5","P -1","-P 1","2","","(1-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethyl)-<i>N</i>-((1-(4-vinylbenzyl)- 1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)methyl)methanamine-k^4^<i>N</i>, <i>N</i>',<i>N</i>'',<i>N</i>''')tri(nitrato-k<i>O</i>,<i>O</i>')-erbium(III)","","- C29 H27 Er N8 O9 -","- C29 H27 Er N8 O9 -","- C58 H54 Er2 N16 O18 -","2","1","","Wang, Hai-Ping; Chen, Lu; Liang, Jia-Jun; Huang, Guo-Peng","The crystal structure of (1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-((1-(4-vinylbenzyl)-1H-benzo[d]imidazol-2-yl)methyl)methanamine-κ 4 N,N′,N″,N‴)tris(nitrato-kO,O′)-erbium(III), C29H27ErN8O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","713","715","10.1515/ncrs-2023-0165","","x-ray","1.54184","CuKα","","0.0413","0.0382","","","0.1091","0.111","","","","","","1.058","","","","has coordinates,has disorder","286507","2023-09-25","08:57:49",""
"8107539","3.9566","0.0001","12.2859","0.0003","24.5014","0.0006","90","","90","","90","","1191.02","0.05","302","2","302","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Tetracene-5,12-dione","Tetracene-5,12-dione","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Zheng, Xiaoxin; Jiang, Jinke; Liu, Yang","Crystal structure of tetracene-5,12-dione, C18H10O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","717","718","10.1515/ncrs-2023-0166","","","1.54178","CuKα","","0.085","0.0609","","","0.1391","0.166","","","","","","1.08","","","","has coordinates","286508","2023-09-25","09:03:32",""
"8107540","8.6681","0.0002","13.0695","0.0003","14.1408","0.0004","80.13","0.002","86.409","0.002","75.761","0.002","1529.43","0.07","295.52","0.1","295.52","0.1","","","","","","","","5","P -1","-P 1","2","","(1-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethyl)-<i>N</i>-((1-(4-vinylbenzyl)- 1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)methyl)methanamine-k^4^<i>N</i>, <i>N</i>',<i>N</i>'',<i>N</i>''')tri(nitrato-k<i>O</i>,<i>O</i>')-erbium(III)","","- C29 H27 Er N8 O9 -","- C29 H27 Er N8 O9 -","- C58 H54 Er2 N16 O18 -","2","1","","Huang, Yu-Xi; Chen, Zan-Hong; Liao, Yu-Ting; Li, Jia-Yi; Huang, Mei-Ying; Ding, Bo; Huang, Hong-Bo; Tao, Yi-Wen","Crystal structure of (3R,3aS,6R,6aR)-6-hexyl-3-methyltetrahydrofuro[3,4-b]furan-2,4-dione, C13H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","719","721","10.1515/ncrs-2023-0167","","x-ray","1.54184","CuKα","","0.0413","0.0382","","","0.1091","0.111","","","","","","1.058","","","","has coordinates,has disorder","286519","2023-09-26","06:31:31",""
"8107541","19.694","0.004","11.45","0.002","8.3382","0.0016","90","","91.82","0.002","90","","1879.3","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","The crystal structure of N'^1^,N'^3^-bis((E)-thiophen-2-ylmethylene) isophthalohydrazide monohydrate","","- C18 H16 N4 O3 S2 -","- C18 H16 N4 O3 S2 -","- C72 H64 N16 O12 S8 -","4","0.5","","Yin, Zi-Yi; Zou, Fei; Chen, Jue-Yuan; Yuan, Lin; Li, Zhong-Yan","The crystal structure of N′1,N′3-bis((E)-thiophen-2-ylmethylene)isophthalohydrazide monohydrate, C18H16N4O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","723","724","10.1515/ncrs-2023-0170","","","0.71073","MoKα","","0.0447","0.0408","","","0.1148","0.1206","","","","","","1.068","","","","has coordinates","286520","2023-09-26","06:37:14",""
"8107542","6.8619","0.0002","12.0735","0.0004","16.6591","0.0005","90","","90","","90","","1380.16","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C52 H72 N8 O16 S4 -","4","1","","Wang, Zhen; Zhao, Feng-Lan; Hou, Gui-Ge; Meng, Qing-Guo","Crystal structure of methyl ((4-aminobenzyl)sulfonyl)-L-prolinate, C13H18N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","725","727","10.1515/ncrs-2023-0173","","","1.54178","CuKα","","0.0245","0.0236","","","0.0599","0.0604","","","","","","1.039","","","","has coordinates","286521","2023-09-26","06:40:34",""
"8107543","10.9636","0.0014","12.1767","0.0012","10.1557","0.0013","90","","116.588","0.016","90","","1212.4","0.3","250","0.1","250","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Zheng, Liang Liang; Liu, Xiong Li; Dong, Zhang Chao; Shi, Yang; Pan, Bo Wen; Feng, Ting Ting","Crystal structure of (E)-3-(3-methoxybenzylidene)benzofuran-2(3H)-one, C16H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","729","731","10.1515/ncrs-2023-0176","","x-ray","0.71073","MoKα","","0.0449","0.0366","","","0.0943","0.1019","","","","","","1.022","","","","has coordinates","286522","2023-09-26","06:43:11",""
"8107544","7.5143","0.0012","11.8968","0.0015","12.9852","0.0013","90","","105.575","0.014","90","","1118.2","0.3","293","0.1","293","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C44 H48 Br4 N4 O8 -","4","1","","Dong, Zhang-Chao; Zheng, Liang-Liang; Pan, Bo-Wen; Shi, Yang; Zhou, Ying","Synthesis and crystal structure (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C11H12BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","733","734","10.1515/ncrs-2023-0178","","x-ray","0.71073","MoKα","","0.0832","0.0607","","","0.1399","0.1615","","","","","","1.059","","","","has coordinates","286523","2023-09-26","06:45:35",""
"8107545","11.1838","0.0003","11.7824","0.0003","16.316","0.0005","90","","90","","90","","2149.99","0.1","293","0.1","293","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Li, Shi-Qing; Zhou, Jian; Dong, Zhang-Chao; Pan, Bo Wen; Shi, Yang; Zhou, Ying","Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","735","737","10.1515/ncrs-2023-0179","","x-ray","1.54184","CuKα","","0.0493","0.0399","","","0.1052","0.1097","","","","","","1.055","","","","has coordinates","286524","2023-09-26","06:48:09",""
"8107546","22.9092","0.0007","5.89","0.0002","36.6209","0.0009","90","","91.983","0.003","90","","4938.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O4 Se2 -","- C26 H24 N2 O4 Se2 -","- C208 H192 N16 O32 Se16 -","8","1","","Feng, Shuxiao; Zhong, Xuan; Qi, Kaiyan; Guo, Yafei; Wang, Junling; Gu, Guangna; Ma, Junying","The crystal structure of N,N′-(1,2-phenylene)bis (2-((2-oxopropyl)selanyl)benzamide), C26H24N2O4Se2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","739","741","10.1515/ncrs-2023-0181","","x-ray","1.54184","CuKα","","0.0595","0.0419","","","0.1044","0.1162","","","","","","1.016","","","","has coordinates,has disorder","286525","2023-09-26","06:54:12",""
"8107547","19.694","0.004","11.45","0.002","8.3382","0.0016","90","","91.82","0.002","90","","1879.3","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","The crystal structure of N'^1^,N'^3^-bis((E)-thiophen-2-ylmethylene) isophthalohydrazide monohydrate","","- C18 H16 N4 O3 S2 -","- C18 H16 N4 O3 S2 -","- C72 H64 N16 O12 S8 -","4","0.5","","Jun, Yuan; Bingheng, Wu; Yong, Wang; Jianlong, Wang; Duanlin, Cao; Lizhen, Chen","The crystal structure of 1-ethyl-2-nitro-imidazole oxide, C5H7N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","743","744","10.1515/ncrs-2023-0182","","","0.71073","MoKα","","0.0447","0.0408","","","0.1148","0.1206","","","","","","1.068","","","","has coordinates","286526","2023-09-26","07:28:37",""
"8107548","6.1859","0.0002","10.7071","0.0002","19.4475","0.0004","90","","95.794","0.002","90","","1281.49","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 F N S -","- C17 H10 F N S -","- C68 H40 F4 N4 S4 -","4","1","","Zhu, Xiaoming; Jin, Hongsheng","The crystal structure of 2-(2-fluorophenyl)naphtho[2,1-d]thiazole, C17H10FNS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","745","746","10.1515/ncrs-2023-0183","","","1.54184","CuKα","","0.0535","0.0476","","","0.1298","0.1333","","","","","","1.078","","","","has coordinates","286527","2023-09-26","07:33:57",""
"8107549","12.329","0.003","9.048","0.003","16.881","0.005","90","","90","","90","","1883.1","1","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","","Zhao, Wen-Ze; Tian, Huan","Crystal structure of (E)-2,4-di-tert-butyl-6-(((2-fluorophenyl)imino) methyl)phenol, C21H26FNO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","747","748","10.1515/ncrs-2023-0184","","","0.71073","MoKα","","0.0561","0.05","","","0.1154","0.1184","","","","","","1.1","","","","has coordinates","286528","2023-09-26","07:36:39",""
"8107550","7.4771","0.0001","8.686","0.0001","16.0445","0.0002","90","","95.374","0.001","90","","1037.45","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C48 H48 O8 S4 -","4","1","","Liu, Feng; Zhang, Yuming; Zhao, Zhimeng; Liu, Yi; Chen, Yang; Xiao, Tao","Synthesis and crystal structure of 3-methyl-2-(methylthio)-4H-chromen-4-one, C12H12O2S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","749","750","10.1515/ncrs-2023-0185","","","1.54178","CuKα","","0.0323","0.0311","","","0.1122","0.1156","","","","","","1.005","","","","has coordinates","286529","2023-09-26","07:39:26",""
"8107551","3.8518","0.0001","8.9728","0.0002","18.0073","0.0004","90","","93.554","0.001","90","","621.16","0.03","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H4 O2 S4 -","- C14 H4 O2 S4 -","- C28 H8 O4 S8 -","2","0.5","","Jia, Yan; Yu, Pengling; Li, Shihui; Zhao, Yumei; Zheng, Xiaoxin","Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","751","752","10.1515/ncrs-2023-0187","","","1.54178","CuKα","","0.0485","0.0411","","","0.1007","0.1091","","","","","","1.083","","","","has coordinates","286530","2023-09-26","07:42:12",""
"8107552","7.752","0.002","29.959","0.008","10.176","0.003","90","","90","","90","","2363.3","1.1","296.15","","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C28 H32 O6 -","- C28 H32 O6 -","- C112 H128 O24 -","4","0.5","","Chen, Xiao-Ming; Zeng, Fei","The crystal structure of dimethyl 2,2ʹ-((adamantane-1,3-diylbis(4,1-phenylene)) bis(oxy))diacetate, C28H32O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","753","755","10.1515/ncrs-2023-0188","","","0.71073","MoKα","","0.0503","0.0423","","","0.1076","0.1145","","","","","","1.027","","","","has coordinates","286531","2023-09-26","07:46:53",""
"8107553","4.7273","0.0007","10.2148","0.0016","21.283","0.003","90","","91.458","0.004","90","","1027.4","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O -","- C10 H10 Cl N3 O -","- C40 H40 Cl4 N12 O4 -","4","1","","Du, Yi-Jing; Sun, Hong-Shun; Wang, Jian-Qiang; Guo, Cheng","The crystal structure of N-(6-chloro-2-methyl-2H-indazol-5-yl)acetamide, C10H10ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","757","758","10.1515/ncrs-2023-0191","","","0.71073","MoKα","","0.0951","0.0623","","","0.1122","0.1287","","","","","","1.13","","","","has coordinates","286532","2023-09-26","07:57:08",""
"8107554","16.7861","0.0004","7.0732","0.0002","17.1041","0.0004","90","","102.674","0.002","90","","1981.31","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Br N2 Ni O8 -","- C18 H19 Br N2 Ni O8 -","- C72 H76 Br4 N8 Ni4 O32 -","4","1","","Shi, Zhen-Zhen; Chen, Jun-Ling","Crystal structure of triaqua-(5-bromoisophthalato-κ1 O)-(2,2′-bipyridine-κ2 N:N′)nickel(II) hydrate, C18H19BrN2NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","759","761","10.1515/ncrs-2023-0193","","","0.71073","MoKα","","0.0491","0.034","","","0.0622","0.067","","","","","","1.041","","","","has coordinates","286533","2023-09-26","08:11:26",""
"8107555","5.3033","0.0006","8.8875","0.001","10.3403","0.0012","73.427","0.01","85.158","0.01","73.284","0.01","447.38","0.09","292.99","0.1","292.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Cl N2 O6 -","- C6 H7 Cl N2 O6 -","- C12 H14 Cl2 N4 O12 -","2","1","","Zhang, Tao; Luo, Yingchun; Hu, Hailiang","The crystal structure of 2-amino-4-carboxypyridin-1-ium perchlorate, C6H7ClN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","763","764","10.1515/ncrs-2023-0194","","x-ray","0.71073","MoKα","","0.0439","0.037","","","0.0846","0.09","","","","","","1.057","","","","has coordinates","286534","2023-09-26","08:15:03",""
"8107556","16.536","0.006","3.8463","0.0014","14.403","0.006","90","","115.009","0.005","90","","830.2","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Br Cu N2 O2 -","- C6 H6 Br Cu N2 O2 -","- C24 H24 Br4 Cu4 N8 O8 -","4","1","","Chen, Nuo; Zheng, Qing-Hua; Zhao, Wang; Zhou, Wei-Wei","The crystal structure of catena-poly[5-aminonicotinic acid-k1 N-m2-bromido-copper(I)], Cu(C6N2H6O2)Br","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","765","766","10.1515/ncrs-2023-0196","","","0.71073","MoKα","","0.0715","0.0441","","","0.0945","0.1054","","","","","","1.03","","","","has coordinates","286555","2023-09-27","08:56:40",""
"8107557","8.7365","0.0003","11.9533","0.0004","14.3566","0.0005","85.728","0.001","74.845","0.001","85.199","0.001","1439.88","0.09","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 B Cl2 N2 O4 S -","- C31 H29 B Cl2 N2 O4 S -","- C62 H58 B2 Cl4 N4 O8 S2 -","2","1","","Ding, Siyi","The crystal structure of 2,2-bis(3-methoxyphenyl)-1-tosyl-1,2-dihydro- 2λ4,3λ4 -[1,3,2]diazaborolo[4,5,1-ij]quinoline - dichloromethane (1/1)","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","767","769","10.1515/ncrs-2023-0200","","x-ray","0.71073","MoKα","","0.074","0.0478","","","0.1036","0.1176","","","","","","1.034","","","","has coordinates","286556","2023-09-27","09:00:04",""
"8107558","17.5723","0.0007","11.3574","0.0004","15.8345","0.0007","90","","112.345","0.005","90","","2922.9","0.2","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cd N4 O4 -","- C34 H24 Cd N4 O4 -","- C136 H96 Cd4 N16 O16 -","4","0.5","","Ping, Liu; Li-Hua, Wang; Xi-Shi, Tai","The crystal structure of catena-poly[bis(6-phenylpyridine-2-carboxylato-κ2 N,O)-(μ2-4,4′-bipyridne-κ2 N:N)cadmium(II)], C34H24N4O4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","771","773","10.1515/ncrs-2023-0201","","x-ray","0.71073","MoKα","","0.0292","0.0265","","","0.0592","0.0613","","","","","","1.062","","","","has coordinates","286557","2023-09-27","09:02:12",""
"8107559","10.9546","0.0011","7.3433","0.0008","13.2567","0.0015","90","","102.972","0.005","90","","1039.19","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 O5 -","- C10 H5 N5 O5 -","- C40 H20 N20 O20 -","4","1","","Jin, Shouwen; Zhang, Qiong; Zhen, Yaoqi; Shi, Chengzhe; Wang, Daqi","The crystal structure of 5,7-dinitropyrazolo[5,1-b]quinazolin-9(4H)-one, C10H5N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","775","777","10.1515/ncrs-2023-0202","","","0.71073","MoKα","","0.0959","0.063","","","0.1489","0.1622","","","","","","1.011","","","","has coordinates","286558","2023-09-27","09:07:20",""
"8107560","8.5777","0.0003","9.0205","0.0004","9.927","0.0003","67.899","0.003","71.106","0.003","63.774","0.004","626.83","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H46 N6 O2 -","- C22 H46 N6 O2 -","- C22 H46 N6 O2 -","1","0.5","","Paul, Pradip; Yasmin, Sabina; Rabi, Saswata; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Crystal structure of rac-1,8-bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H46N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","779","781","10.1515/ncrs-2023-0205","","","1.54184","CuKα","","0.0466","0.04","","","0.1097","0.1162","","","","","","1.039","","","","has coordinates","286559","2023-09-27","09:09:28",""
"8107561","8.7","0.005","9.188","0.005","9.722","0.006","91.61","0.006","91.436","0.006","100.925","0.006","762.4","0.8","296","2","296.15","","","","","","","","","5","P 1","P 1","1","","(E)-N'-(2-bromobenzylidene)-2-naphthohydrazide","","- C36 H26 Br2 N4 O2 -","- C36 H26 Br2 N4 O2 -","- C36 H26 Br2 N4 O2 -","1","1","","Yuan, Lin; Deng, Shao-Wen; Liu, Fang; Li, Zhong-Yan","The crystal structure of (E)-N ′-(2-bromobenzylidene)-2-naphthohydrazide, C36H26Br2N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","783","785","10.1515/ncrs-2023-0208","","","0.71073","MoKα","","0.0438","0.0381","","","0.0985","0.1016","","","","","","1.01","","","","has coordinates","286560","2023-09-27","09:12:11",""
"8107562","9.2564","0.0008","11.0464","0.0009","14.8016","0.0012","110.132","0.002","106.157","0.003","94.77","0.003","1337.7","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 N O4 -","- C10 H5 N O4 -","- C60 H30 N6 O24 -","6","3","","Barrientos, Claudio; Galdámez, Antonio; Moris, Silvana","The crystal structure of 5-nitronaphthoquinone, C10H5NO4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","787","789","10.1515/ncrs-2023-0211","","","0.71073","MoKα","","0.0991","0.0567","","","0.1456","0.1797","","","","","","1.0358","","","","has coordinates","286573","2023-09-28","07:25:52",""
"8107563","11.849","0.002","14.373","0.003","17.183","0.003","90","","90","","90","","2926.4","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-benzhydrylideneamino-12-(4- tert-butyl oxazolin-2-yl)[2.2]paracyclophane","","- C36 H36 N2 O -","- C36 H36 N2 O -","- C144 H144 N8 O4 -","4","1","","Chen, Zhen; Sun, Yanwen; Chen, Chao; Xu, Nuo; Wang, Xiaozhong; Li, Sijun","The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","791","793","10.1515/ncrs-2023-0212","","","1.54178","CuKα","","0.086","0.0514","","","0.1094","0.1272","","","","","","1.005","","","","has coordinates","286574","2023-09-28","07:31:04",""
"8107564","7.7539","0.0001","8.2606","0.0001","11.6271","0.0002","86.877","0.001","78.944","0.001","68.908","0.001","681.861","0.018","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","1","","Liu, Yi; Zhao, Zhimeng; Zhang, Yuming; Liu, Feng; Chen, Yang; Xiao, Tao","Synthesis and crystal structure of 2-(2-oxo-2-(o-tolyl)ethyl)-4H-chromen-4-one, C18H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","795","796","10.1515/ncrs-2023-0214","","","1.54178","CuKα","","0.0534","0.0518","","","0.1586","0.1606","","","","","","1.016","","","","has coordinates","286575","2023-09-28","07:34:57",""
"8107565","10.8483","0.0007","9.3377","0.0008","5.4086","0.0003","90","","95.398","0.006","90","","545.45","0.07","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11 H10 N2 O3 S? C~11~H~10~N~2~O~3~S~1~","","- C11 H10 N2 O3 S -","- C11 H10 N2 O3 S -","- C22 H20 N4 O6 S2 -","2","0.5","","Wang, Qinglong; Hou, Xuehui","Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","797","798","10.1515/ncrs-2023-0215","","x-ray","1.54184","CuKα","","0.0713","0.0576","","","0.1286","0.1429","","","","","","1.031","","","","has coordinates","286576","2023-09-28","07:39:03",""
"8107566","7.1868","0.0006","5.8408","0.0004","12.6534","0.0011","90","","105.134","0.002","90","","512.73","0.07","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H13 Cl2 N5 -","- C4 H13 Cl2 N5 -","- C8 H26 Cl4 N10 -","2","1","","Xia, Yu-Pei","Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","799","800","10.1515/ncrs-2023-0218","","x-ray","0.71073","MoKα","","0.0372","0.0354","","","0.0949","0.0961","","","","","","1.086","","","","has coordinates","286577","2023-09-28","07:41:30",""
"8107567","13.1492","0.0005","3.7276","0.0001","16.5625","0.0006","90","","92.181","0.001","90","","811.22","0.05","301","2","301","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Ag Cl2 O3 -","- C7 H3 Ag Cl2 O3 -","- C28 H12 Ag4 Cl8 O12 -","4","1","","Jiang, Jin-Ke; Niu, Chun-Yan","Crystal structure of poly[(μ3-3, 5-dichloro-2-hydroxy-benzoato-κ4 Cl,O:O′:O″) silver(I)], C7H3AgCl2O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","801","802","10.1515/ncrs-2023-0219","","","0.71073","MoKα","","0.027","0.0229","","","0.0472","0.0492","","","","","","1.094","","","","has coordinates","286578","2023-09-28","07:44:35",""
"8107568","11.3461","0.0005","12.7013","0.0005","14.0649","0.0005","111.609","0.001","108.702","0.001","93.957","0.002","1744.19","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 N10 O7 V2 -","- C29 H41 N10 O7 V2 -","- C58 H82 N20 O14 V4 -","2","1","","Ren, Xiang-Yu; Wang, Xiao-Jie; Qin, Yu-Cai; Tong, Yue","The crystal structure of tetrakis(1-isopropylimidazole-κ1 N)-[μ2- imidazole-4,5-dicarboxylato-κ4 O,N,O′,N′)]- trioxido-divanadium, C29H41N10O7V2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","803","805","10.1515/ncrs-2023-0223","","x-ray","0.71073","MoKα","K-L~3~","0.0726","0.0439","","","0.0978","0.116","","","","","","1.019","","","","has coordinates,has disorder","286579","2023-09-28","07:48:26",""
"8107569","3.8736","0.0003","7.5238","0.0007","18.1555","0.0019","84.581","0.001","88.166","0.002","81.551","0.001","520.96","0.08","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H7 Br Cu N3 O2 -","- C9 H7 Br Cu N3 O2 -","- C18 H14 Br2 Cu2 N6 O4 -","2","1","","Yuan, Zhi-Min; Xia, Yu-Pei","Crystal structure of catena-[(μ3-bromido)-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N)copper(I)], C9H7BrCuN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","807","808","10.1515/ncrs-2023-0224","","x-ray","0.71073","MoKα","","0.0463","0.0344","","","0.0784","0.0845","","","","","","1.041","","","","has coordinates","286580","2023-09-28","07:51:20",""
"8107570","14.6825","0.0016","11.7155","0.0011","8.8285","0.0007","90","","102.753","0.01","90","","1481.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O2 -","- C16 H15 F N2 O2 -","- C64 H60 F4 N8 O8 -","4","1","","Li, Xiaohua; Zhao, Xin; Tang, Wenqiang","The crystal structure of (E)-4-fluoro-N′-(1-(2-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","809","811","10.1515/ncrs-2023-0226","","","0.71073","MoKα","","0.1043","0.067","","","0.1465","0.1669","","","","","","1.089","","","","has coordinates","286581","2023-09-28","07:54:27",""
"8107571","8.2799","0.0001","16.6666","0.0005","17.1471","0.0003","73.549","0.002","89.123","0.001","83.045","0.002","2252.25","0.09","297.71","0.13","297.71","0.13","","","101","","","","","5","P -1","-P 1","2","","(N-([1,1':4',1''-terphenyl]-4,4'-diethyl)-2-(bis(pyridin-2-ylmethyl)amino) acetamide-k4N,N',N'',O)tri(nitrato-kO,O')-Samarium(III) mono acetonitrile""","","- C41 H43 N8 O15 Sm -","- C40 H39 N8 O14 Sm -","- C80 H78 N16 O28 Sm2 -","2","1","","Wang, Hai-Ping; Zhang, Ci-Mao; Huang, Guo-Peng; Liang, Jia-Jun","The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ 4 N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","813","815","10.1515/ncrs-2023-0163","","x-ray","1.54184","CuKα","","0.0697","0.0592","","","0.1383","0.1438","","","","","","1.073","","","","has coordinates","286582","2023-09-28","08:26:20",""
"8107572","11.609","0.004","21.476","0.007","13.504","0.004","90","","109.881","0.009","90","","3166.1","1.8","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl2 N3 O6 Ti -","- C27 H27 Cl2 N3 O6 Ti -","- C108 H108 Cl8 N12 O24 Ti4 -","4","1","","Yang, Mingjun; Wang, Canghai","The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ 4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C27H27Cl2N3O6Ti","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","817","819","10.1515/ncrs-2023-0168","","","1.34139","GaKα","","0.0742","0.0623","","","0.1865","0.1945","","","","","","1.124","","","","has coordinates","286583","2023-09-28","08:29:08",""
"8107573","10.6377","0.0005","14.4869","0.0007","21.0557","0.0013","98.583","0.005","91.979","0.004","90.101","0.004","3206.5","0.3","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F N2 O -","- C18 H21 F N2 O -","- C144 H168 F8 N16 O8 -","8","4","","Al-Wahaibi, Lamya H.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Reiss, Guido J.; Tiekink, Edward R. T.; El-Emam, Ali A.","N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","821","825","10.1515/ncrs-2023-0195","","x-ray","1.54184","CuKα","","0.1715","0.0815","","","0.1396","0.193","","","","","","1.006","","","","has coordinates","286584","2023-09-28","08:32:58",""
"8107574","7.177","0.002","10.999","0.003","10.414","0.003","90","","100.145","0.011","90","","809.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate","","- C4 H4 Br N3 O5 -","- C4 H4 Br N3 O5 -","- C16 H16 Br4 N12 O20 -","4","1","","Radović, Ana; Giester, Gerald; Tomić, Zoran D.; Kočović, David; Jaćimović, Željko K.","Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","827","829","10.1515/ncrs-2023-0199","","","0.71073","MoKα","","0.0541","0.0379","","","0.0666","0.0714","","","","","","1.184","","","","has coordinates","286585","2023-09-28","08:34:42",""
"8107575","10.384","0.003","13.502","0.004","16.972","0.005","94.903","0.004","98.58","0.004","105.417","0.004","2248.6","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","Dythd-py","","- C43 H67 Dy N2 O6 -","- C43 H67 Dy N2 O6 -","- C86 H134 Dy2 N4 O12 -","2","1","","Ling, Bo-Kai; Huang, Ling-Yu","Crystal structure of dipyridine-k1 N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k2 O,O′)dysprosium(III), DyC43H67O6N2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","831","833","10.1515/ncrs-2023-0203","","x-ray","0.71073","MoKα","","0.0532","0.0519","","","0.1484","0.1489","","","","","","1.292","","","","has coordinates,has disorder","286586","2023-09-28","08:37:36",""
"8107576","8.1164","0.001","15.9401","0.0018","13.5531","0.0017","90","","96.067","0.004","90","","1743.6","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cd2 I4 N10 -","- C26 H30 Cd2 I4 N10 -","- C52 H60 Cd4 I8 N20 -","2","0.5","","Yang, Hai-Yan; Wang, Hong-Fang; Li, Hui; Li, Ying-Hua; Zhao, Yao-Min","Crystal structure of cyclo[tetraiodido-bis{μ2-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k 2N:N}dicadmiun(II)], C26H30N10Cd2I4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","835","836","10.1515/ncrs-2023-0209","","","0.71073","MoKα","","0.0414","0.0394","","","0.0996","0.1088","","","","","","0.979","","","","has coordinates","286667","2023-10-05","07:33:30",""
"8107577","10.949","0.006","9.93","0.005","20.125","0.013","90","","98.51","0.03","90","","2164","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","","Da, Weihao; Kong, Haonan; Wang, Ruiyao; Lin, Yi","The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","837","839","10.1515/ncrs-2023-0213","","","0.71073","MoKα","","0.0704","0.0465","","","0.1076","0.126","","","","","","1.085","","","","has coordinates","286668","2023-10-05","07:36:37",""
"8107578","8.0932","0.0004","11.8392","0.0007","14.6782","0.0008","87.86","0.003","76.795","0.002","78.317","0.002","1340.81","0.13","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 F N3 O9 -","- C27 H32 F N3 O9 -","- C54 H64 F2 N6 O18 -","2","1","","Lin, Shu-Ting; Lou, Can; Jiang, Cheng-Jun","The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","841","843","10.1515/ncrs-2023-0228","","","1.34139","GaKα","","0.0666","0.0559","","","0.1481","0.1537","","","","","","1.119","","","","has coordinates,has disorder","286669","2023-10-05","07:40:23",""
"8107579","10.5649","0.0003","18.6071","0.0006","7.4403","0.0002","90","","92.388","0.002","90","","1461.36","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co2 I2 N4 O12 -","- C24 H20 Co2 I2 N4 O12 -","- C48 H40 Co4 I4 N8 O24 -","2","0.5","","Hong, Dong-Feng; Ye, Jia-Qi; Guo, Wen-Bo","Crystal structure of (μ 2-1-(4,4′-bipyridine-κ 2N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ 3O,N,O′)–cobalt(II)], C24H20Co2I2N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","845","847","10.1515/ncrs-2023-0229","","x-ray","0.71073","MoKα","","0.0392","0.0318","","","0.074","0.0781","","","","","","1.065","","","","has coordinates","286670","2023-10-05","07:45:33",""
"8107580","6.3858","0.0002","12.6484","0.0004","12.7115","0.0005","95.986","0.003","102.79","0.003","95.563","0.003","988.12","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Cl2 N4 O4 -","- C49 H36 Cl2 N4 O4 -","- C49 H36 Cl2 N4 O4 -","1","0.5","","Xiao, Ze-en; Wang, Yiqun; Cui, Hao","The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","849","851","10.1515/ncrs-2023-0233","","x-ray","1.54184","CuKα","","0.065","0.0603","","","0.1683","0.1734","","","","","","1.077","","","","has coordinates,has disorder","286671","2023-10-05","07:48:34",""
"8107581","15.1642","0.0008","6.9215","0.0003","15.2182","0.0007","90","","112.675","0.002","90","","1473.83","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide","","- C14 H23 N3 S -","- C14 H23 N3 S -","- C56 H92 N12 S4 -","4","1","","Rong, Zeng; Cong, Huang; Yu-Fang, Wu; Da-Yong, Peng; Shang-Xing, Chen","(E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C14H23N3S1","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","853","855","10.1515/ncrs-2023-0238","","","0.71073","MoKα","","0.0541","0.0453","","","0.1161","0.124","","","","","","1.098","","","","has coordinates","286672","2023-10-05","07:51:11",""
"8107582","6.9928","0.0006","8.9764","0.0008","21.216","0.002","90","","90","","90","","1331.7","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F3 N O -","- C16 H12 F3 N O -","- C64 H48 F12 N4 O4 -","4","1","","Pu, Xuewei; Meng, Fanjie; Zhang, Shaoliang","The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","857","859","10.1515/ncrs-2023-0240","","","0.71073","MoKα","","0.08","0.0583","","","0.1474","0.1552","","","","","","1.044","","","","has coordinates,has disorder","286673","2023-10-05","08:21:43",""
"8107583","11.6588","0.0012","7.0645","0.0006","25.7","0.003","90","","94.899","0.003","90","","2109","0.4","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N5 O6 -","- C18 H27 N5 O6 -","- C72 H108 N20 O24 -","4","1","","Wang, Xue; Han, Jie; Zheng, Jing; Yuan, Xiao-Jing; Xiong, Ying","Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C15H16N4O3·C3H7NO·2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","861","862","10.1515/ncrs-2023-0241","","","0.71073","MoKα","","0.1749","0.063","","","0.1341","0.1632","","","","","","0.917","","","","has coordinates","286674","2023-10-05","08:45:53",""
"8107584","5.907","0.0003","9.2731","0.0007","17.5641","0.0014","90","","90","","90","","962.09","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(4-bromophenyl)-3-methyl-1H-pyrazole","","- C10 H9 Br N2 -","- C10 H9 Br N2 -","- C40 H36 Br4 N8 -","4","1","","Kočović, David; Mugoša, Snežana; Shova, Sergiu; Tomić, Zoran D.; Jaćimović, Željko K.","Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","863","865","10.1515/ncrs-2023-0242","","x-ray","0.71073","MoKα","","0.1036","0.0504","","","0.0798","0.0947","","","","","","1.001","","","","has coordinates","286675","2023-10-05","08:51:24",""
"8107585","7.4005","0.0013","9.4122","0.0016","9.7916","0.0017","98.235","0.009","101.744","0.008","111.005","0.007","605.69","0.19","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Br N2 O2 -","- C12 H13 Br N2 O2 -","- C24 H26 Br2 N4 O4 -","2","1","","Adeloye, Adewale O.; Clayton, Hadley S.","Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","867","869","10.1515/ncrs-2023-0244","","x-ray","0.71073","MoKα","","0.0229","0.0209","","","0.0507","0.0514","","","","","","1.056","","","","has coordinates,has disorder","286676","2023-10-05","08:54:39",""
"8107586","4.3011","0.0007","11.2236","0.0019","11.776","0.002","90","","94.281","0.005","90","","566.89","0.16","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C26 H20 Cl2 N2 O2 -","2","1","","Du, Mo; Xu, Xiaona; Tong, Hongjuan","Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","871","873","10.1515/ncrs-2023-0246","","","0.71073","MoKα","","0.0711","0.042","","","0.0702","0.0827","","","","","","1.058","","","","has coordinates","286677","2023-10-05","08:59:20",""
"8107587","12.8112","0.0009","11.7614","0.0008","11.1954","0.0008","90","","100.726","0.003","90","","1657.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C64 H40 N8 O48 -","8","1","","Bourletidis How, Jeraldine Maire; Lemmerer, Andreas; Smith, Mark G.","The crystal structure of nitroterephthalic acid, C8H5NO6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","875","876","10.1515/ncrs-2023-0248","","x-ray","0.71073","MoKα","","0.0529","0.042","","","0.1127","0.1247","","","","","","1.058","","","","has coordinates","286868","2023-10-10","06:53:12",""
"8107588","20.333","0.007","11.226","0.005","7.843","0.003","90","","99.651","0.008","90","","1764.9","1.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Cl2 N2 O2 -","- C17 H15 Br Cl2 N2 O2 -","- C68 H60 Br4 Cl8 N8 O8 -","4","1","","Zhang, Cuiya; Han, Xiaojuan; Tang, Wenqiang","Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","877","878","10.1515/ncrs-2023-0251","","","0.71073","MoKα","","0.0619","0.0464","","","0.1488","0.1601","","","","","","1.051","","","","has coordinates","286869","2023-10-10","07:05:45",""
"8107589","8.652","0.003","9.204","0.004","12.305","0.005","78.156","0.005","72.483","0.005","62.797","0.004","828.4","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 F18 Gd2 O18 -","- C16 H20 F18 Gd2 O18 -","- C16 H20 F18 Gd2 O18 -","1","0.5","","Ling, Bo-Kai; Huang, Ling-Yu","Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ2-trifluoroacetate-κ2O:O′)-bis(trifluoroacetate-κ2O)digadolinium(III) Gd2C16H20O18F18","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","879","880","10.1515/ncrs-2023-0253","","","0.71073","MoKα","","0.0257","0.0227","","","0.0539","0.0554","","","","","","1.075","","","","has coordinates,has disorder","286870","2023-10-10","07:14:15",""
"8107590","6.6447","0.0006","12.5839","0.0011","14.3335","0.0011","85.845","0.007","85.589","0.007","85.679","0.007","1188.89","0.18","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 Cl6 F4 N4 O4 -","- C50 H32 Cl6 F4 N4 O4 -","- C50 H32 Cl6 F4 N4 O4 -","1","0.5","","Yang, Bingcui; Wang, Yuzhou; Cui, Hao","The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","881","883","10.1515/ncrs-2023-0254","","x-ray","1.54184","CuKα","","0.0751","0.0605","","","0.1544","0.174","","","","","","1.032","","","","has coordinates","286871","2023-10-10","07:19:48",""
"8107591","9.8171","0.0004","16.1119","0.0006","6.9125","0.0005","90","","121.443","0.001","90","","932.81","0.09","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H12 N4 O4 -","- C6 H12 N4 O4 -","- C24 H48 N16 O16 -","4","1","","Cong, Chen; Ruxin, Zhang; Shiyu, Li; Lizhen, Chen; Jianlong, Wang","The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","885","886","10.1515/ncrs-2023-0256","","","0.71073","MoKα","","0.0385","0.0346","","","0.086","0.0894","","","","","","1.062","","","","has coordinates","286872","2023-10-10","07:22:47",""
"8107592","15.3055","0.0002","15.1214","0.0002","18.1048","0.0002","90","","90","","90","","4190.19","0.09","296.72","0.1","296.72","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mg N4 O6 -","- C22 H18 Mg N4 O6 -","- C176 H144 Mg8 N32 O48 -","8","1","","Xi-Shi, Tai; Hong-Chang, Li","The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ 3 N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","887","889","10.1515/ncrs-2023-0257","","x-ray","1.54184","CuKα","","0.0423","0.0376","","","0.1032","0.1069","","","","","","1.012","","","","has coordinates","286873","2023-10-10","07:35:10",""
"8107593","14.097","0.01","19.208","0.015","18.998","0.01","90","","130.71","0.03","90","","3899","5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Co2 N16 O16 S2 -","- C68 H76 Co2 N16 O16 S2 -","- C136 H152 Co4 N32 O32 S4 -","2","0.5","","Chen, Jie; Liu, Yang","Crystal structure of poly[diaqua-(bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2 N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ1N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C68H76Co2N16O16S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","891","893","10.1515/ncrs-2023-0258","","","0.71073","MoKα","","0.0558","0.0361","","","0.085","0.095","","","","","","1.018","","","","has coordinates","286874","2023-10-10","07:39:52",""
"8107594","11.5514","0.0004","16.7843","0.0005","8.9691","0.0003","90","","101.927","0.003","90","","1701.41","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cd Cl2 N5 -","- C13 H15 Cd Cl2 N5 -","- C52 H60 Cd4 Cl8 N20 -","4","1","","Du, Jun-Ya; Zhou, Tan-peng; Yang, Jing; Wang, Xia","Crystal structure of poly[chlorido-μ2-chlorido-(μ2-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C13H15CdN5Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","895","897","10.1515/ncrs-2023-0263","","x-ray","1.54184","CuKα","","0.0477","0.0379","","","0.0937","0.102","","","","","","1.037","","","","has coordinates","286896","2023-10-11","07:03:02",""
"8107595","12.8169","0.0011","7.9965","0.0007","25.597","0.002","90","","91.53","0.002","90","","2622.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Co N2 Na O9 S -","- C25 H27 Co N2 Na O9 S -","- C100 H108 Co4 N8 Na4 O36 S4 -","4","1","","Zhang, Shaoliang; Wang, Yanlan; Li, Shanshan","The crystal structure of (4-hydroxybenzenesulfonate)-k1 O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2 N,N,μ 2 O,O,κ2 O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","899","901","10.1515/ncrs-2023-0264","","","0.71073","MoKα","","0.0958","0.0611","","","0.1462","0.1596","","","","","","1.114","","","","has coordinates","286897","2023-10-11","07:06:11",""
"8107596","9.9491","0.0011","18.1523","0.0017","11.7703","0.0015","90","","113.473","0.014","90","","1949.8","0.4","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl- 6-(trifluoromethyl)pyrimidin-4-yl) amino)piperidin-1-yl)methanone","","- C17 H18 F6 N6 O -","- C17 H18 F6 N6 O -","- C68 H72 F24 N24 O4 -","4","1","","Pan, Nian-Juan; Yan, Chang; Fei, Qiang; Wu, Wen-Neng","Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C17H18F6N6O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","903","905","10.1515/ncrs-2023-0265","","x-ray","0.71073","MoKα","","0.0811","0.0606","","","0.1614","0.1876","","","","","","1.038","","","","has coordinates","286898","2023-10-11","07:09:11",""
"8107597","9.5907","0.0004","10.6743","0.0004","11.2593","0.0004","107.698","0.001","113.584","0.001","97.229","0.001","965.12","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H62 N6 Zn2 -","- C38 H62 N6 Zn2 -","- C38 H62 N6 Zn2 -","1","0.5","","Han, Hong-Fei; Li, Hao-Yang; Wang, Song; Wei, Xue-Hong","Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ 2 N:N′]-(ethyl)-zinc(II)]}, C38H62N6Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","907","909","10.1515/ncrs-2023-0267","","","0.71073","MoKα","","0.0232","0.0213","","","0.0565","0.0577","","","","","","1.03","","","","has coordinates","286899","2023-10-11","07:18:02",""
"8107598","13.405","0.0004","4.7716","0.0001","11.7303","0.0004","90","","105.885","0.003","90","","721.66","0.04","160","2","160","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H8 Br2 N2 O S2 -","- C13 H8 Br2 N2 O S2 -","- C26 H16 Br4 N4 O2 S4 -","2","1","","Al-Omary, Fatmah A. M.; Blacque, Olivier; Alanazi, Fahdah S.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","911","913","10.1515/ncrs-2023-0270","","x-ray","1.54184","CuKα","","0.0296","0.0294","","","0.0806","0.0808","","","","","","1.131","","","","has coordinates","286900","2023-10-11","07:52:39",""
"8107599","9.5584","0.0004","6.7828","0.0003","12.8337","0.0006","90","","103.881","0.001","90","","807.74","0.06","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","Jun, Yuan; Bingheng, Wu; Yong, Wang; Jianlong, Wang; Duanlin, Cao; Lizhen, Chen","The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","917","918","10.1515/ncrs-2023-0274","","","0.71073","MoKα","","0.069","0.0455","","","0.1005","0.1166","","","","","","1.065","","","","has coordinates","286901","2023-10-11","08:07:44",""
"8107600","7.0825","0.0004","15.6168","0.0009","15.1086","0.0009","90","","93.383","0.001","90","","1668.19","0.17","170","","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O8 -","- C17 H16 N2 O8 -","- C68 H64 N8 O32 -","4","1","","Lin, Shu-Ting; Huang, Shen-Yang; Zou, Jing; Jiang, Cheng-Jun","The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C17H16N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","919","921","10.1515/ncrs-2023-0275","","","0.71073","MoKα","","0.0657","0.0543","","","0.1374","0.1443","","","","","","1.096","","","","has coordinates","286902","2023-10-11","08:11:16",""
"8107601","12.8892","0.0001","12.8892","0.0001","22.3058","0.0002","90","","90","","120","","3209.23","0.05","293","","293","","","","","","","","","6","R -3 m :H","-R 3 2""","166","RUB-1","","","- C48 H96 B6 N6 O108 Si48 -","- C64.0001 B5.472 N6.00012 O108 Si48.528 -","- C64.0001 B5.472 N6.00012 O108 Si48.528 -","1","0.0277778","","Gruenewald-Lueke, Antje; Grosskreuz, Isabel; Gies, Hermann; Marler, Bernd","The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","923","925","10.1515/ncrs-2023-0279","powder diffraction","","","CuKα","","","","","","","","","4.1003","1.6901","","","","","","","has coordinates","286903","2023-10-11","08:16:15",""
"8107602","12.425","0.0008","12.7259","0.0008","14.2946","0.0009","64.102","0.002","79.774","0.002","62.453","0.002","1801.9","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H31 Mn N5 O11 -","- C42 H31 Mn N5 O11 -","- C84 H62 Mn2 N10 O22 -","2","1","","Liu, Xinyao; Liu, Qianyu; Xiao, Leijie; Fu, Weiwei","The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ 3 N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","927","929","10.1515/ncrs-2023-0281","","x-ray","1.34138","GaKα","","0.0358","0.0344","","","0.0941","0.0951","","","","","","1.078","","","","has coordinates","286904","2023-10-11","08:19:37",""
"8107603","5.006","0.0012","9.135","0.002","11.65","0.003","83.404","0.007","78.492","0.007","89.273","0.007","518.6","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N2 O4 -","- C20 H22 Br2 N2 O4 -","- C20 H22 Br2 N2 O4 -","1","0.5","","Wang, Zhi-Yong; Liu, Yang; Yuan, Jian-Ping; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C20H22Br2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","931","932","10.1515/ncrs-2023-0282","","","0.71073","MoKα","","0.0647","0.0474","","","0.1213","0.127","","","","","","1.088","","","","has coordinates","286905","2023-10-11","08:22:10",""
"8107604","15.1642","0.0008","6.9215","0.0003","15.2182","0.0007","90","","112.675","0.002","90","","1473.83","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide","","- C14 H23 N3 S -","- C14 H23 N3 S -","- C56 H92 N12 S4 -","4","1","","Wang, Mengdan; Wang, Junling; Guo, Yafei; Lu, Weiwei; Luo, Jie; Ma, Jun-Ying","The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C24H18O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","933","935","10.1515/ncrs-2023-0283","","","0.71073","MoKα","","0.0541","0.0453","","","0.1161","0.124","","","","","","1.098","","","","has coordinates","286906","2023-10-11","08:27:16",""
"8107605","12.2971","0.0012","13.1008","0.0013","11.0864","0.0011","90","","99.174","0.002","90","","1763.2","0.3","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Co2 N8 O10 -","- C36 H32 Co2 N8 O10 -","- C72 H64 Co4 N16 O20 -","2","0.5","","Tian, Jiaze; Miao, Siyi; Wan, Xin; Mou, Jin; Zhang, Zhenchang; Tang, Qiang; Pang, Haixia","Crystal structure of bis(μ 2-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ 4 O:O,N,O′)-(nitrato-κ 2 O,O′)dicobalt(II), C36H32Co2N8O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","937","939","10.1515/ncrs-2023-0286","","","0.71073","MoKα","","0.0352","0.0277","","","0.0784","0.0818","","","","","","1.04","","","","has coordinates","286907","2023-10-11","08:31:32",""
"8107606","6.3277","0.0003","11.9665","0.0007","32.2419","0.0019","90","","90","","90","","2441.4","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>E</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>Z</i>)-17 -ethylidene-10,13-dimethylhexadecahydro-3<i>H</i>-cyclopenta[<i>α</i>] phenanthren-3-one <i>O</i>-(4-fluorobenzoyl) oxime","","- C28 H36 F N O2 -","- C28 H36 F N O2 -","- C112 H144 F4 N4 O8 -","4","1","","Yue, Lan; Wei, Peng; Ye, Jiang-Hei; He, Kang; Zou, Juan","Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","941","943","10.1515/ncrs-2023-0290","","","0.71073","MoKα","","0.0851","0.0537","","","0.1264","0.1403","","","","","","1.03","","","","has coordinates","286908","2023-10-11","08:34:12",""
"8107607","32.036","0.003","7.2154","0.0007","7.4283","0.0008","90","","99.943","0.002","90","","1691.3","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-aminiumbiphenyl benzenesulfonate","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Shi, Chengzhe; Chen, Xinlei; Jin, Shouwen; Chen, Shiyi; Wang, Daqi","The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","945","947","10.1515/ncrs-2023-0292","","x-ray","0.71073","MoKα","","0.0448","0.0343","","","0.0763","0.0821","","","","","","1.058","","","","has coordinates","286909","2023-10-11","08:37:16",""
"8107608","15.3768","0.0003","7.451","0.0002","15.6673","0.0005","90","","102.7","0.003","90","","1751.13","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O9 -","- C18 H17 N3 O9 -","- C72 H68 N12 O36 -","4","1","","Chen, Hai-Lin; Yao, Dong-Mei; Luo, Ze-Ping; Wang, Yan-Ping; Tang, Yu-Mei","Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","949","951","10.1515/ncrs-2023-0294","","","1.54178","CuKα","","0.0472","0.0405","","","0.11","0.1157","","","","","","1.059","","","","has coordinates","286910","2023-10-11","08:50:11",""
"8107609","7.347","0.0003","9.4435","0.0004","10.4335","0.0004","78.943","0.002","85.455","0.002","86.384","0.002","707.37","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Br2 N2 O -","- C14 H12 Br2 N2 O -","- C28 H24 Br4 N4 O2 -","2","1","","Munzeiwa, Wisdom A.; Zamisa, Sizwe J.; Omondi, Bernard","Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","953","955","10.1515/ncrs-2023-0295","","x-ray","0.71073","MoKα","","0.0328","0.0313","","","0.0919","0.0927","","","","","","1.086","","","","has coordinates","286912","2023-10-12","07:50:39",""
"8107610","9.6732","0.0003","15.5602","0.0005","19.0881","0.0006","90","","90","","90","","2873.08","0.16","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Cl2 F N2 -","- C16 H11 Cl2 F N2 -","- C128 H88 Cl16 F8 N16 -","8","1","","Li, Yiting; Zhang, Xiaochun; Weng, Xingshang; Zhuang, Xuewen","The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","957","958","10.1515/ncrs-2023-0297","","x-ray","1.34139","GaKα","","0.0467","0.0361","","","0.0898","0.0958","","","","","","1.04","","","","has coordinates","286913","2023-10-12","08:00:32",""
"8107611","5.3601","0.0004","10.6233","0.0007","25.2155","0.0016","90","","92.92","0.005","90","","1433.96","0.17","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","","Xu, Li-Ying; Chen, Chen-chen; Chen, Meng-Qi; Chang, Yue; Sang, Rui-ge; Zhang, Heng-Qiang","Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C17H13ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","959","961","10.1515/ncrs-2023-0298","","","0.71073","MoKα","","0.0726","0.0495","","","0.1016","0.1143","","","","","","1.061","","","","has coordinates","286914","2023-10-12","08:04:42",""
"8107612","14.6016","0.0014","6.2077","0.0006","12.9876","0.0011","90","","100.742","0.003","90","","1156.6","0.19","170","","170","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C4 H6 N4 O2 -","- C4 H6 N4 O2 -","- C32 H48 N32 O16 -","8","2","","Cai, Cao; Yumin, Yan; Zhiwei, Wen; Pengbao, Lian; Jianlong, Wang","The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","963","964","10.1515/ncrs-2023-0299","","","0.71073","MoKα","","0.11","0.0656","","","0.1278","0.1524","","","","","","1.125","","","","has coordinates","286915","2023-10-12","08:08:13",""
"8107613","17.175","0.0007","19.1188","0.0007","19.4359","0.0008","90","","90","","90","","6382.1","0.4","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H94 B2 Ge N8 -","- C63 H94 B2 Ge N8 -","- C252 H376 B8 Ge4 N32 -","4","1","","Wang, Bing; Hu, Yi-Fei; Wu, Di","Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l 2-germenediamine, C63H94B2GeN8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","965","968","10.1515/ncrs-2023-0300","","","1.34138","GaKα","","0.0824","0.0539","","","0.1356","0.1483","","","","","","1.051","","","","has coordinates,has disorder","286916","2023-10-12","08:12:32",""
"8107614","14.6713","0.0004","11.4724","0.0003","9.6206","0.0003","90","","106.592","0.003","90","","1551.87","0.08","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br0.18 Cl0.82 N2 O3 Re -","- C15 H12 Br0.184 Cl0.816 N2 O3 Re -","- C60 H48 Br0.736 Cl3.264 N8 O12 Re4 -","4","1","","Moherane, Lehlohonolo; Makhatshwa, Marcus; Malan, Frederick P.; Visser, Hendrik G.; Manicum, Amanda-Lee E.","The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","969","971","10.1515/ncrs-2023-0303","","","0.71073","MoKα","","0.0497","0.0452","","","0.1092","0.111","","","","","","1.237","","","","has coordinates,has disorder","286917","2023-10-12","08:15:51",""
"8107615","5.7137","0.0002","10.4374","0.0003","11.1141","0.0003","104.98","0.003","94.279","0.003","93.876","0.003","635.89","0.04","178","2","178","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H36 N6 -","- C26 H36 N6 -","- C26 H36 N6 -","1","0.5","","Fujisawa, Kiyoshi; Ageishi, Keigo; Tiekink, Edward R. T.","Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","973","976","10.1515/ncrs-2023-0305","","","0.71073","MoKα","","0.0948","0.0503","","","0.1075","0.122","","","","","","1.026","","","","has coordinates","286918","2023-10-12","08:19:48",""
"8107616","7.3205","0.0003","9.9488","0.0005","10.0326","0.0005","104.473","0.004","91.566","0.004","90.191","0.004","707.19","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cd3 N2 O16 -","- C28 H20 Cd3 N2 O16 -","- C28 H20 Cd3 N2 O16 -","1","0.5","","Li, Wenqiang; Zhang, Jingxiao","The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ4-2-(6-carboxylatopyridin-3-yl)terephthalato-κ5O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C28H20Cd3N2O16","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","977","979","10.1515/ncrs-2023-0306","","x-ray","0.71073","MoKα","","0.0276","0.0239","","","0.0557","0.0576","","","","","","1.027","","","","has coordinates","286919","2023-10-12","08:22:40",""
"8107617","24.8013","0.001","35.889","0.0016","6.9911","0.0004","90","","90","","90","","6222.7","0.5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H32 Co N2 O16 -","- C26 H32 Co N2 O16 -","- C208 H256 Co8 N16 O128 -","8","0.5","","Bao, Xiaobo; Tian, Chongchong","Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ 1 N)cobalt(II)] tetrahydrate, C26H32CoN2O16","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","981","982","10.1515/ncrs-2023-0307","","","0.71073","MoKα","","0.0537","0.0487","","","0.1418","0.1462","","","","","","1.046","","","","has coordinates","286920","2023-10-12","08:26:06",""
"8107618","9.781","0.005","11.667","0.006","11.973","0.007","83.816","0.01","74.471","0.01","66.12","0.008","1203.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H32 Bi2 N26 -","- C48 H32 Bi2 N26 -","- C48 H32 Bi2 N26 -","1","0.5","","Zhong, Zhi-Guo; Li, Jing; Feng, Yu-Quan","Crystal structure of bis(μ2-azido-κ2 N:N)-tetrakis(azido-κ1 N)-tetrakis(1,10-phenanthroline-κ2 N,N′)dibismuth(III), C48H32N26Bi2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","983","985","10.1515/ncrs-2023-0312","","","0.71073","MoKα","","0.0615","0.0435","","","0.0962","0.1035","","","","","","1.0194","","","","has coordinates","286921","2023-10-12","08:29:29",""
"8107619","5.2172","0.0001","9.2878","0.0002","27.2825","0.0005","82.199","0.002","88.113","0.002","81.617","0.002","1295.66","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N O8 -","- C30 H31 N O8 -","- C60 H62 N2 O16 -","2","1","","Xu, Lian-Hua; Shi, Ju-Mei; Wang, Hua-Bin; Zhou, Ying","Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","987","989","10.1515/ncrs-2023-0313","","x-ray","1.54184","CuKα","","0.0823","0.0567","","","0.147","0.1548","","","","","","1.092","","","","has coordinates","286922","2023-10-12","08:32:24",""
"8107620","13.072","0.0003","15.7589","0.0005","14.932","0.0006","90","","95.373","0.003","90","","3062.48","0.17","294.23","0.1","294.23","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 O16 Zn2 -","- C27 H28 N4 O16 Zn2 -","- C108 H112 N16 O64 Zn8 -","4","0.5","","Zhang, Yan; Wang, Jia-Xin; Huang, Pei-Pei; Wu, Ting-Ting; Gao, Jia-Hao; Lu, Jiu-Fu","Crystal structure of poly[diaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-bis(μ 2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","991","993","10.1515/ncrs-2023-0315","","","0.71073","MoKα","","0.0626","0.0499","","","0.0979","0.1059","","","","","","1.038","","","","has coordinates","286923","2023-10-12","08:35:01",""
"8107621","10.1629","0.0001","8.258","0.0001","13.4328","0.0002","90","","95.91","0.001","90","","1121.36","0.02","293.88","0.1","293.88","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Liu, Yingfan; Wang, Mengfei","Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C12H14N2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","995","997","10.1515/ncrs-2023-0316","","x-ray","1.54184","CuKα","","0.0406","0.038","","","0.1105","0.1126","","","","","","1.067","","","","has coordinates","286924","2023-10-12","08:39:46",""
"8107622","7.9405","0.0008","18.0744","0.0018","21.513","0.002","90","","98.781","0.001","90","","3051.4","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Cl N2 O3 Pt S -","- C13 H13 Cl N2 O3 Pt S -","- C104 H104 Cl8 N16 O24 Pt8 S8 -","8","1","","Zou, Hao; Tan, Wei; Zhang, Jian-Guo","Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2 N,C)-[(methylsulfinyl)methane-κ1 S]platinum(II), C13H13ClN2O3PtS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","999","1000","10.1515/ncrs-2023-0319","","","0.71073","MoKα","","0.0295","0.0233","","","0.0535","0.0556","","","","","","1.062","","","","has coordinates","286925","2023-10-12","08:43:36",""
"8107623","6.2578","0.0002","15.4188","0.0005","17.6841","0.0007","90","","90","","90","","1706.3","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N7 O9 -","- C11 H19 N7 O9 -","- C44 H76 N28 O36 -","4","1","","Guannan, Zhao; Tong, Zhang; Jun, Chen; Hongxia, Pan; LiZhen, Chen; Jianlong, Wang","The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1001","1003","10.1515/ncrs-2023-0320","","","0.71073","MoKα","","0.0637","0.0428","","","0.088","0.0972","","","","","","1.054","","","","has coordinates","286926","2023-10-12","08:46:57",""
"8107624","5.0063","0.0002","8.5627","0.0005","12.8216","0.0006","77.898","0.004","89.301","0.004","76.601","0.004","522.4","0.05","178","2","178","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N6 O2 -","- C20 H28 N6 O2 -","- C20 H28 N6 O2 -","1","0.5","","Fujisawa, Kiyoshi; Ageishi, Keigo; Harakuni, Seigo; Tiekink, Edward R. T.","Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C18H20N6·2(CH3OH)","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1005","1008","10.1515/ncrs-2023-0322","","","0.71073","MoKα","","0.0765","0.0577","","","0.1543","0.1642","","","","","","1.035","","","","has coordinates","286927","2023-10-12","08:49:46",""
"8107625","6.748","0.006","21.943","0.019","16.132","0.014","90","","95.362","0.013","90","","2378","4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N11 O3 Sm -","- C24 H16 N11 O3 Sm -","- C96 H64 N44 O12 Sm4 -","4","1","","Feng, Yu-Quan","Crystal structure of catena-poly[bis(μ2-azido-k2 N:N′)-(nitrato-K2 N:N′)-bis(1,10-phenanthroline-K2 N:N′)samarium(III)], C24H16N11O3Sm","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1009","1011","10.1515/ncrs-2023-0324","","","0.71073","MoKα","","0.0701","0.0446","","","0.1039","0.1162","","","","","","1.02","","","","has coordinates","286978","2023-10-16","07:10:19",""
"8107626","7.8451","0.0003","7.9428","0.0002","17.636","0.0006","90.146","0.003","90.433","0.003","99.307","0.003","1084.43","0.06","297.37","0.1","297.37","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Br O6 -","- C23 H25 Br O6 -","- C46 H50 Br2 O12 -","2","1","","Wang, Hua-Bin; Xu, Lian-Hua; Shi, Ju-Mei; Zhou, Ying; Hao, Yong-Jia","Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1013","1015","10.1515/ncrs-2023-0329","","x-ray","1.54184","CuKα","","0.0509","0.0464","","","0.1349","0.1402","","","","","","1.059","","","","has coordinates","286979","2023-10-16","07:18:24",""
"8107627","6.149","0.0002","11.0063","0.0003","14.0214","0.0003","90","","94.386","0.005","90","","946.16","0.05","178","2","178","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 F4 N6 O4 -","- C18 H20 F4 N6 O4 -","- C36 H40 F8 N12 O8 -","2","0.5","","Fujisawa, Kiyoshi; Harakuni, Seigo; Ageishi, Keigo; Tiekink, Edward R. T.","Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1017","1020","10.1515/ncrs-2023-0333","","","0.71073","MoKα","","0.0387","0.0371","","","0.1113","0.1127","","","","","","1.08","","","","has coordinates","286980","2023-10-16","07:25:36",""
"8107628","9.6123","0.0007","11.8692","0.0007","16.951","0.0012","90","","104.798","0.007","90","","1869.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl F4 N3 O -","- C20 H18 Cl F4 N3 O -","- C80 H72 Cl4 F16 N12 O4 -","4","1","","Li, Wen-Xuan; Meng, Qing-Guo; Hou, Gui-Ge; Liu, Yong-Jun; Zhang, Meng","Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1021","1023","10.1515/ncrs-2023-0334","","","0.71073","MoKα","","0.0586","0.0444","","","0.0956","0.1043","","","","","","1.065","","","","has coordinates","286981","2023-10-16","07:28:19",""
"8107629","13.2666","0.0017","11.0435","0.0015","19.778","0.003","90","","92.707","0.01","90","","2894.4","0.7","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 N6 O2 -","- C13 H17 N6 O2 -","- C104 H136 N48 O16 -","8","1","","Wang, Zhi-Yong; Qian, Peng-Xin; Yang, Xian-Jiong; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1025","1026","10.1515/ncrs-2023-0336","","","0.71073","MoKα","","0.1266","0.0528","","","0.1137","0.1511","","","","","","0.93","","","","has coordinates","286982","2023-10-16","07:32:32",""
"8107651","10.9372","0.0007","10.4567","0.0006","11.7618","0.0007","90","","116.555","0.0019","90","","1203.25","0.13","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N6 Ni O8 -","- C22 H26 N6 Ni O8 -","- C44 H52 N12 Ni2 O16 -","2","0.5","","Li, Fenfang","Crystal structure of bis(dimethylammonium) poly[(μ4-1,1′-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato))-κ6 O 1, N 2:O 2:O 3:O 1′,N 2′]nickel (II)], C22H26N6NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1027","1029","10.1515/ncrs-2023-0120","","","0.71073","MoKα","","0.0516","0.0406","","","0.1028","0.1089","","","","","","0.947","","","","has coordinates","287723","2023-11-22","08:44:15",""
"8107652","9.6428","0.0005","10.3191","0.0005","11.871","0.0006","86.664","0.004","69.399","0.005","79.429","0.004","1086.9","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Co0.5 N4 O4 -","- C23 H23 Co0.5 N4 O4 -","- C46 H46 Co N8 O8 -","2","1","","Liu, Guang-Zhen; Wang, Xin","Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-((pyridin-4-ylmethyl)amino)benzoato-κ2 N:O)cobalt(II)] – 4,4′-bipyridine – water (1/2/2)","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1031","1033","10.1515/ncrs-2023-0148","","x-ray","0.71073","MoKα","","0.0507","0.0432","","","0.1382","0.1454","","","","","","1.012","","","","has coordinates","287724","2023-11-22","08:47:17",""
"8107653","6.398","0.006","10.779","0.01","12.03","0.011","71.103","0.01","89.519","0.011","74.154","0.011","752.2","1.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H37 N O6 -","- C34 H37 N O6 -","- C34 H37 N O6 -","1","1","","Zhang, Nuo; Guo, Shuo-Nan; Du, Liang-Qi; Ren, Xiao-Yu","Crystal structure of (2S,3S,4S,5S, Z)-2,3,5,6-tetrakis(benzyloxy)-4-hydroxyhexanal oxime, C34H37NO6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1035","1037","10.1515/ncrs-2023-0174","","","0.71073","MoKα","","0.0789","0.0599","","","0.1492","0.1614","","","","","","1.248","","","","has coordinates","287725","2023-11-22","09:00:26",""
"8107654","11.014","0.0004","22.3222","0.0009","11.2886","0.0005","90","","105.436","0.001","90","","2675.27","0.19","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","?3-thiophenecarboxylato-κ2OO??-(1,10-phenanthroline-κ2N,N')manganese(II),","","- C54 H34 Mn3 N4 O12 S6 -","- C54 H34 Mn3 N4 O12 S6 -","- C108 H68 Mn6 N8 O24 S12 -","2","0.5","","Zhou, Lili; Zhang, Zhongyu; Men, Xiaoxia; Zhang, Yaxuan","The crystal structure of hexakis(3-thiophenecarboxylato-κ 2 O,O″)-bis(1,10-phenanthroline-κ 2 N,N′) trimanganese(II), C54H34N4O12S6Mn3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1039","1041","10.1515/ncrs-2023-0230","","","0.71073","MoKα","","0.0458","0.0361","","","0.0793","0.0846","","","","","","1.02","","","","has coordinates,has disorder","287726","2023-11-22","09:19:17",""
"8107655","8.7895","0.0017","13.167","0.003","14.067","0.003","109.049","0.003","92.619","0.003","108.533","0.003","1438.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br2 N2 Ni O4.5 -","- C30 H21 Br2 N2 Ni O4.5 -","- C60 H42 Br4 N4 Ni2 O9 -","2","1","","Bao, Xiaobo; Tian, Chongchong","Crystal structure of catena-poly[(μ 2-1,4-di(pyridin-4-yl)benzene-κ 2 N:N′)-(4-bromobenzoate-κ 2 O:O′)-(μ-2-bromobenzoate-κ 2 O,O′)nickel(II)] – water (2/1), C30H21Br2N2NiO4.5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1043","1045","10.1515/ncrs-2023-0276","","","0.71073","MoKα","","0.0996","0.0496","","","0.0903","0.1003","","","","","","1.05","","","","has coordinates,has disorder","287727","2023-11-22","09:23:08",""
"8107656","9.689","0.003","10.93","0.003","23.321","0.006","80.838","0.005","84.261","0.005","79.189","0.005","2388.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 Cd N10 O6 -","- C58 H42 Cd N10 O6 -","- C116 H84 Cd2 N20 O12 -","2","1","","He, Liqiong; Xiao, Liang; Fu, Weiwei","The crystal structure of poly[(μ 3-1,3-phenylenedioxydiacetate-κ 5 O,O,O′,O″,O‴)-bis(4′-(4-(1H-imidazol-1-yl)phenyl)-4,2′:6′,4″-terpyridine-kN) cadmium(II)], C58H42CdN10O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1047","1050","10.1515/ncrs-2023-0280","","x-ray","0.71073","MoKα","","0.0992","0.0589","","","0.1334","0.1554","","","","","","0.941","","","","has coordinates","287728","2023-11-22","09:43:53",""
"8107657","36.911","0.009","9.931","0.002","14.795","0.003","90","","112.32","0.03","90","","5017","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl N2 O5 S2 -","- C25 H23 Cl N2 O5 S2 -","- C200 H184 Cl8 N16 O40 S16 -","8","1","","Fang, Yu; Zhang, Cheng; Yin, Meng-Qing; Yang, Xiao-Die; Ma, Wen-Jing","The crystal structure of 5-chloro-6′-methyl-3-(4-(methylsulfonyl)phenyl)-[2,3′-bipyridin]-1′-ium 4-methylbenzenesulfonate","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1051","1053","10.1515/ncrs-2023-0285","","","0.71073","MoKα","","0.0792","0.05","","","0.1259","0.1447","","","","","","1.0785","","","","has coordinates","287730","2023-11-22","09:57:33",""
"8107658","5.1481","0.0004","8.9342","0.0007","25.733","0.002","90","","90","","90","","1183.57","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Li N O5 -","- C12 H14 Li N O5 -","- C48 H56 Li4 N4 O20 -","4","1","","Yin, Dejing; Wang, Lingling; Yuan, Zhenbo","Crystal structure of poly[(μ-benzoato)-(μ-cis-4–hydroxy-D-proline)lithium], C12H14LiNO5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1055","1056","10.1515/ncrs-2023-0289","","","1.54178","Cukα","","0.0648","0.0539","","","0.1364","0.1478","","","","","","1.066","","","","has coordinates","287731","2023-11-22","10:00:32",""
"8107659","9.7229","0.0004","5.1728","0.0002","20.8336","0.0008","90","","97.636","0.004","90","","1038.53","0.07","292.7","0.3","292.7","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cu I N O6 -","- C7 H6 Cu I N O6 -","- C28 H24 Cu4 I4 N4 O24 -","4","1","","Kong, Yang; Lu, ChenFei; Wang, Chang-Zhao; Tian, Bin; Dang, YiXuan; Han, ZiHao","The crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ 3 N,O,O ′)-copper(II)] monohydrate, C7H6NO6ICu","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1057","1059","10.1515/ncrs-2023-0296","","x-ray","0.71073","MoKα","","0.0319","0.0287","","","0.067","0.0687","","","","","","1.108","","","","has coordinates","287732","2023-11-22","10:03:38",""
"8107660","9.0676","0.0001","13.6139","0.0002","15.5964","0.0002","115.231","0.001","97.401","0.001","95.483","0.001","1702.65","0.04","296.13","0.1","296.13","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 La N O14 -","- C35 H35 La N O14 -","- C70 H70 La2 N2 O28 -","2","1","","Ying, Liu; Xi-Hai, Yan; Yuan-Fang, Wang; Xi-Shi, Tai","The crystal structure of catena-[diaqua-(4-acetylphenoxyacetato-κ 2 O,O)-bis(4-acetylphenoxyacetato-κ 3 O,O:O)-dihydrate-lanthanum(III)]–4,4′-bipyridine (2/1), C35H35NO14La","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1061","1063","10.1515/ncrs-2023-0301","","x-ray","1.54184","CuKα","","0.0444","0.0431","","","0.1046","0.1059","","","","","","1.02","","","","has coordinates","287733","2023-11-22","10:08:03",""
"8107661","13.6216","0.0004","13.4754","0.0004","8.5023","0.0003","90","","102.61","0.003","90","","1523.01","0.09","272.7","0.3","272.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cu I N4 O4 -","- C15 H9 Cu I N4 O4 -","- C60 H36 Cu4 I4 N16 O16 -","4","1","","Kong, Yang; Dang, YiXuan; Tian, Bin; Wang, Chang-Zhao; Han, ZiHao; Lu, ChenFei","The crystal structure of catena-poly[(4-iodopyridine-2,6-dicarboxylato-κ4 O,N,O′,O′′)(4-imidazol-1-yl-pyridine-κN)copper(II)], C15H9N4O4ICu","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1065","1067","10.1515/ncrs-2023-0302","","x-ray","0.71073","MoKα","","0.0332","0.0297","","","0.0762","0.0781","","","","","","1.14","","","","has coordinates","287734","2023-11-22","10:12:06",""
"8107662","12.0766","0.0011","16.2778","0.0014","14.7605","0.0013","90","","97.858","0.001","90","","2874.4","0.4","298.15","","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu3 N8 O10 -","- C20 H22 Cu3 N8 O10 -","- C80 H88 Cu12 N32 O40 -","4","0.5","","Wang, Yan-Qing; Yan, Wen-Qing; Nie, Li-Xue; Luan, Ping-Ping; Li, Chao-Qun","Crystal structure of polybis(μ 4-3,5-dicarboxylatopyrazol-1-yl)-bis(N,N-dimethylformamide)tri-copper(II)–acetonitrile (1/2), C20H22Cu3N8O10","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1069","1070","10.1515/ncrs-2023-0308","","x-ray","0.71073","MoKα","","0.0617","0.042","","","0.0928","0.0988","","","","","","1.001","","","","has coordinates","287735","2023-11-22","10:14:54",""
"8107663","9.5381","0.0007","20.9393","0.0014","11.4813","0.0008","90","","104.366","0.001","90","","2221.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cd N4 O5 -","- C21 H24 Cd N4 O5 -","- C84 H96 Cd4 N16 O20 -","4","1","","Cai, Jin; Yao, Xin-Tong; Chen, Man-Sheng","Crystal structure of poly[(μ 2-5-hydroxy-isophthalato-κ4 O,O′:O″,O‴)-(μ 2-1,5-bis(imidazol-2-methyl)pentane-κ2 N:N′)cadmium(II)], C21H24CdN4O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1071","1073","10.1515/ncrs-2023-0310","","","0.71073","MoKα","","0.0362","0.0319","","","0.0841","0.0873","","","","","","0.992","","","","has coordinates","287736","2023-11-22","10:17:11",""
"8107664","11.444","0.002","11.648","0.002","21.478","0.004","90","","97.05","0.03","90","","2841.4","0.9","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Co N4 O6 -","- C35 H24 Co N4 O6 -","- C140 H96 Co4 N16 O24 -","4","1","","Qi, Ji; Wang, Shu-Ying; Chu, Jin-Feng","The crystal structure of poly[bis(μ 2-1,4-bi(1-imidazolyl)benzene-κ 2 N:N′)bis(μ 2-4,4′-methylenebis(3-hydroxy-2-naphthoate)-κ 2 O:O′)cobalt(II)], C35H24CoN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1075","1077","10.1515/ncrs-2023-0318","","","0.71073","MoKα","","0.1035","0.0849","","","0.1318","0.1393","","","","","","1.243","","","","has coordinates","287737","2023-11-22","10:20:02",""
"8107665","8.1091","0.0008","3.5128","0.0002","9.759","0.0009","90","","111.553","0.011","90","","258.55","0.04","","","293","","","","","","","","","4","P 1 2/m 1","-P 2y","10","cobalt-vanadium-oxido hydrate","","","- Co H4 O14 V4.4 -","- Co H4 O14 V4.4 -","- Co H4 O14 V4.4 -","1","0.25","","Wu-Hua, Chen; Ran, Chen; Jin-Xiao, Mi; Hua-Feng, Wang; Jia-Yu, Song","The crystal structure of a cobalt-vanadium-oxido hydrate","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1079","1080","10.1515/ncrs-2023-0321","","x-ray","0.71073","MoKα","","","0.0401","","","0.0922","","","","","","","","","","","has coordinates","287738","2023-11-22","10:39:40",""
"8107666","9.11","0.0008","10.6451","0.0007","12.0479","0.0008","95.238","0.005","112.154","0.007","112.971","0.007","956.55","0.16","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N7 O4 Zn -","- C18 H15 N7 O4 Zn -","- C36 H30 N14 O8 Zn2 -","2","1","","Mao, Qian; Wang, Yanfei; Zhang, Zhonghua; Ji, Jinlan","The crystal structure of catena-poly[(μ 2-2H-1,2,3-triazole-4,5-dicarboxylato-κ 2 O, O′)-(μ 2-1,3-bis((1H-imidazol-1-yl)methyl)benzene-κ 2 N,N′) zinc(II)], C18H15N7O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1081","1083","10.1515/ncrs-2023-0323","","x-ray","0.71073","MoKα","","0.0303","0.0264","","","0.0706","0.0731","","","","","","1.065","","","","has coordinates","287754","2023-11-23","13:33:23",""
"8107667","8.987","0.004","9.061","0.003","10.706","0.002","88.65","0.02","66.12","0.02","89.89","0.02","796.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl2 Mn N8 O2 -","- C28 H32 Cl2 Mn N8 O2 -","- C28 H32 Cl2 Mn N8 O2 -","1","0.5","","Gu, Si-Na; Ou, Zhi-Ying; Wu, Ting-Ting; Nie, Ting-Yu; Liu, Yang","Crystal structure of poly[diaqua-(bis(m2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ 2 N,N′-manganese] dichloride, C28H32MnN8O2Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1085","1087","10.1515/ncrs-2023-0326","","","0.71073","MoKα","","0.2062","0.1033","","","0.1983","0.2218","","","","","","1.065","","","","has coordinates","287755","2023-11-23","13:43:36",""
"8107668","8.1996","0.0002","13.1993","0.0003","13.5119","0.0003","94.208","0.001","99.787","0.001","90.247","0.001","1437","0.06","193","","193","","","","","","","","","4","P -1","-P 1","2","","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate","","- C29 H34 N2 O13 -","- C29 H34 N2 O13 -","- C58 H68 N4 O26 -","2","1","","Chen, Shi-Yun; Wang, Wei; He, Yong; Yin, Deng-ke","The crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino [3,2-a]isoquinolin-7-ium (E)-3-(4-nitrophenyl)acrylate pentahydrate, C29H34N2O13","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1089","1091","10.1515/ncrs-2023-0331","","x-ray","1.34139","GaKα","","0.0711","0.0457","","","0.1096","0.1218","","","","","","1.066","","","","has coordinates","287756","2023-11-23","13:53:31",""
"8107669","9.177","0.0005","8.3742","0.0004","15.466","0.0006","90","","119.657","0.002","90","","1032.86","0.09","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Cd N O9 P3 -","- C3 H10 Cd N O9 P3 -","- C12 H40 Cd4 N4 O36 P12 -","4","1","","Gu, Si N.; Ou, Zhi Y.; Wu, Ting T.; Nie, Ting Y.; Liu, Yang","Crystal structure of poly[(μ6-ammoniotris(methylene))tris(hydrogen phosphonato)cadmium(II)], C3H10CdNO9P3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1093","1095","10.1515/ncrs-2023-0332","","x-ray","0.71073","MoKα","","0.0209","0.0202","","","0.051","0.0515","","","","","","1.199","","","","has coordinates","287757","2023-11-23","13:56:32",""
"8107670","7.9797","0.0005","10.4923","0.0006","11.4835","0.0007","97.512","0.002","100.089","0.002","94.156","0.002","933.98","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 N8 O18 S2 Zn2 -","- C24 H50 N8 O18 S2 Zn2 -","- C24 H50 N8 O18 S2 Zn2 -","1","0.5","","Zhao, Wen-Ze; Tian, Hua","Crystal structure of Zn2[(1,1′-(hexane-1,6-diyl)bis(3-(pyridin-3-yl)urea))·(H2O)2·(DMF)2·(SO4)2], C24H50N8O18S2Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1097","1099","10.1515/ncrs-2023-0337","","","0.71073","MoKα","","0.0465","0.0382","","","0.1047","0.1202","","","","","","1.11","","","","has coordinates","287758","2023-11-23","14:10:57",""
"8107671","3.7617","0.0003","12.9267","0.001","23.4609","0.0017","90","","92.337","0.003","90","","1139.87","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Elmakki, Mohammed A.; Taoana, Thato N.; Jacobs, Frederick J. F.; Venter, Johan A.","The crystal structure of 2-anilino-1,4-naphthoquinone, C10H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1101","1102","10.1515/ncrs-2023-0338","","","0.71073","MoKα","","0.0506","0.0413","","","0.1012","0.1071","","","","","","1.083","","","","has coordinates","287770","2023-11-24","08:20:20",""
"8107672","16.565","0.002","17.468","0.002","7.5778","0.001","90","","94.551","0.004","90","","2185.8","0.5","300","2","300.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","","Sun, Cheng-Tao; Li, Qin","Crystal structure of (E)-2-(2-(4-(diethylamino)styryl)-1-ethyl-1,4-dihydroquinolin-4-yl) malononitrile, C26H26N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1103","1104","10.1515/ncrs-2023-0340","","","0.71073","MoKα","","0.1349","0.0591","","","0.1508","0.183","","","","","","0.954","","","","has coordinates","287772","2023-11-24","09:07:30",""
"8107673","8.4863","0.0017","12.654","0.002","15.088","0.003","90","","103.612","0.005","90","","1574.7","0.5","205","","205","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C68 H56 Cl8 N8 O8 -","4","1","","Zhao, Meimei; Du, Mo; Liu, Bin","Crystal structure of ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl) amino)benzoate, C17H14Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1105","1106","10.1515/ncrs-2023-0341","","","0.71073","MoKα","","0.0582","0.0423","","","0.1308","0.1472","","","","","","0.986","","","","has coordinates","287773","2023-11-24","09:14:12",""
"8107674","9.5306","0.0002","6.1971","0.0002","23.3849","0.0007","90","","101.445","0.003","90","","1353.7","0.07","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Shi, Ju-Mei; Hao, Yong-Jia; Xu, Lian-Hua; Zhou, Ying; Wang, Hua-Bin","Synthesis and crystal structure of 2-(3-oxo-3-phenylpropyl)isoindoline-1,3-dione, C17H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1107","1108","10.1515/ncrs-2023-0342","","x-ray","1.54184","CuKα","","0.0689","0.0644","","","0.1814","0.1909","","","","","","1.053","","","","has coordinates","287774","2023-11-24","09:17:40",""
"8107675","9.282","0.0001","11.3364","0.0001","16.0352","0.0002","90","","105.933","0.001","90","","1622.48","0.03","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 F4 N O4 Rh -","- C16 H9 F4 N O4 Rh -","- C64 H36 F16 N4 O16 Rh4 -","4","1","","Zhong, Zihao; Meng, Miao","The crystal structure of bis(acetonitrile-κ1N)tetrakis(μ2-2,6-difluorobenzoato-κ2O:O′)rhodium(II) (Rh–Rh), C32H18F8O8N2Rh2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1109","1111","10.1515/ncrs-2023-0343","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","287775","2023-11-24","09:20:58",""
"8107676","8.6478","0.0008","5.2261","0.0005","18.7921","0.0018","90","","94.518","0.003","90","","846.66","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-hydroxy-2-naphthoic acid","6-hydroxy-2-naphthoic acid","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Smith, Mark G.","The crystal structure of a new polymorph of 6-hydroxy-2-naphthoic acid, C11H8O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1113","1114","10.1515/ncrs-2023-0345","","x-ray","0.71073","MoKα","","0.0788","0.0419","","","0.1007","0.1181","","","","","","1.013","","","","has coordinates","287776","2023-11-24","09:23:30",""
"8107677","9.0356","0.0002","9.6247","0.0003","14.2969","0.0003","86.989","0.002","86.414","0.002","66.913","0.002","1140.98","0.05","297.88","0.1","297.88","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cu N3 O9 -","- C22 H23 Cu N3 O9 -","- C44 H46 Cu2 N6 O18 -","2","1","","Zeng-Bing, Zhao; Shu-Cheng, Yang; Bing-Qi, Yang; Lan-Xing, Cheng; Xi-Shi, Tai","The crystal structure of [(8-carboxymethoxy-quinoline-2-carboxylate-κ 4 N,O,O,O)-2,2′-bipyridine-κ 2 N-copper(II)] tetrahydrate, C22H23N3O9Cu","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1115","1117","10.1515/ncrs-2023-0347","","x-ray","1.54184","CuKα","","0.044","0.0405","","","0.1142","0.1172","","","","","","1.062","","","","has coordinates","287777","2023-11-24","09:27:53",""
"8107678","17.9964","0.0009","5.9211","0.0003","18.8608","0.001","90","","98.201","0.003","90","","1989.23","0.18","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(2-oxo-2H-chromen-6-yl)-2,5- dihydro-1H-pyrrole-3-carboxylate","","- C23 H19 N O7 -","- C23 H19 N O7 -","- C92 H76 N4 O28 -","4","1","","Chakraborty, Bimal Bhushan; Paul, Saurav; Anwar, Siddique; Choudhury, Sudip","The crystal structure of ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(2-oxo-2H-chromen-6-yl)-2,5-dihydro-1H-pyrrole-3-carboxylate, C23H19NO7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1119","1121","10.1515/ncrs-2023-0350","","","0.71073","MoKα","","0.0679","0.0496","","","0.1372","0.1561","","","","","","1.058","","","","has coordinates","287778","2023-11-24","09:31:27",""
"8107679","16.6341","0.0014","7.4319","0.0004","14.8943","0.001","90","","123.243","0.008","90","","1540","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","","Jiang, Boye; Hou, Yun; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one, C10H10O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1123","1125","10.1515/ncrs-2023-0353","","","0.71073","MoKα","","0.0431","0.0371","","","0.0947","0.0997","","","","","","1.081","","","","has coordinates","287779","2023-11-24","09:34:13",""
"8107680","11.3615","0.0009","11.854","0.0009","12.1267","0.0009","61.419","0.002","64.289","0.003","71.088","0.003","1278.1","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Fe4 N2 O12 Te4 -","- C36 H56 Fe4 N2 O12 Te4 -","- C36 H56 Fe4 N2 O12 Te4 -","1","0.5","","Kim, Kang-Woo; Yang, Hyoyi","Crystal structure of bis(tetrapropylammonium) dodecacarbonyltetratelluridotetraferrate(2-), (Pr4N)2[Fe4Te4(CO)12]","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1127","1129","10.1515/ncrs-2023-0357","","","0.71073","MoKα","","0.0243","0.0213","","","0.0598","0.0638","","","","","","1.081","","","","has coordinates","287780","2023-11-24","09:37:50",""
"8107681","7.6139","0.0007","12.489","0.0013","13.9382","0.0013","90","","90","","90","","1325.4","0.2","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","1","","Liu, Fang-Fang; Ping, Zhao-Yan; Zhou, Wei-Wei; Zhao, Wang","The crystal structure of poly[bis(μ 2−3−aminopyridine−4−carboxylato−κ 2 N:O)Zinc(II)], [Zn(C6H5N2O2)2] n","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1131","1132","10.1515/ncrs-2023-0358","","","0.71073","MoKα","","0.0583","0.0391","","","0.0659","0.071","","","","","","0.983","","","","has coordinates","287801","2023-11-27","08:15:04",""
"8107682","6.599","0.0011","7.7259","0.0013","16.428","0.003","79.1416","0.0018","79.4782","0.0016","81.1835","0.0018","802.6","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","methyl 5-nitro-2-(tosyloxy)benzoate","","- C15 H13 N O7 S -","- C15 H13 N O7 S -","- C30 H26 N2 O14 S2 -","2","1","","Deng, Shao-Wen; Yuan, Lin; Li, Zhong-Yan","The crystal structure of methyl 5-nitro-2-(tosyloxy)benzoate, C15H13NO7S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1133","1134","10.1515/ncrs-2023-0360","","","0.71073","MoKα","","0.0373","0.034","","","0.0921","0.096","","","","","","1.038","","","","has coordinates","287802","2023-11-27","08:19:29",""
"8107683","9.0202","0.0004","9.5791","0.0004","13.6994","0.0006","90","","92.555","0.001","90","","1182.53","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cl4 Cu2 O10 -","- C12 H32 Cl4 Cu2 O10 -","- C24 H64 Cl8 Cu4 O20 -","2","0.5","","Liu, Zhaolong; Jin, Shifeng","The crystal structure of 18-crown-6 ― tetraaqua-dichlorido-di-μ2-chloridodicopper(II) (2/1), C12H32O10Cu2Cl4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1135","1136","10.1515/ncrs-2023-0361","","","1.54184","CuKα","","0.031","0.0308","","","0.0798","0.08","","","","","","1.095","","","","has coordinates","287803","2023-11-27","08:23:26",""
"8107684","15.5356","0.0002","9.8551","0.0002","25.5551","0.0004","90","","90","","90","","3912.61","0.11","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C160 H224 N64 -","16","2","","Dali, Zhu; Yu, Yu","Crystal structure of 6,6a,7,8,9,10-hexahydro-5H-pyrazino [2,3-e]pyrido[1,2-a]pyrazine, C10H14N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1137","1139","10.1515/ncrs-2023-0363","","x-ray","1.54184","CuKα","","0.0918","0.0873","","","0.2435","0.2481","","","","","","1.062","","","","has coordinates,has disorder","287804","2023-11-27","08:30:11",""
"8107685","11.4094","0.0005","14.2343","0.0006","11.6775","0.0004","90","","114.313","0.001","90","","1728.28","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 Co N4 O12 S2 -","- C26 H30 Cl2 Co N4 O12 S2 -","- C52 H60 Cl4 Co2 N8 O24 S4 -","2","0.5","","Chen, Xiao-Miao; Liu, Zheng-Jun; Liu, Qing; Zhang, Yu-Tao; He, Xue; Deng, Yun","Crystal structure of catena-poly-{diaqua-bis[μ-(((4-chlorophenyl)sulfonyl)glycinato-κO)](μ 2-4, 4′-bipyridine-κ 2 N:N′)cobalt(II)} dihydrate, C26H30Cl2CoN4O12S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1141","1143","10.1515/ncrs-2023-0364","","","0.71073","MoKα","","0.0467","0.0393","","","0.1002","0.1046","","","","","","1.065","","","","has coordinates","287805","2023-11-27","08:33:41",""
"8107686","14.5676","0.0004","26.1767","0.0008","10.0963","0.0003","90","","99.14","0.003","90","","3801.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N6 S2 Zn -","- C44 H36 N6 S2 Zn -","- C176 H144 N24 S8 Zn4 -","4","1","","Tan, Ming Yueh; Crouse, Karen A.; Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure of bis{N′-[1,3-diphenylprop-2-en-1-ylidene]-N-phenylcarbamohydrazonothioato}zinc(II), C44H36N6S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1145","1148","10.1515/ncrs-2023-0369","","","0.71073","MoKα","","0.0539","0.0397","","","0.0915","0.1","","","","","","1.031","","","","has coordinates","287806","2023-11-27","08:36:18",""
"8107687","5.3261","0.0004","39.755","0.002","6.2518","0.0004","90","","96.88","0.006","90","","1314.22","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl2 Co N2 O14 S2 -","- C16 H26 Cl2 Co N2 O14 S2 -","- C32 H52 Cl4 Co2 N4 O28 S4 -","2","0.5","","Liu, Zheng-Jun; Chen, Xiao-Miao; Wu, Qiang; Zhang, Yu-Tao; Zhou, Wu-Chao; Wei, Li; Zhao, Ying-Xian","Crystal structure of tetraaqua-bis(((4-chlorophenyl)sulfonyl)glycinato-κO)cobalt(II) dihydrate, C16H26Cl2CoN2O14S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1149","1151","10.1515/ncrs-2023-0370","","x-ray","0.71073","MoKα","","0.0604","0.0487","","","0.0982","0.104","","","","","","1.095","","","","has coordinates","287807","2023-11-27","08:39:19",""
"8107688","10.4783","0.0005","11.7171","0.0005","14.9194","0.0006","90","","93.991","0.002","90","","1827.29","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","","Zeng, Dai; Tan, Kai; Fang, Ziyan; Xing, Aiping","Crystal structure of 2-(5-phenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol, C24H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1153","1155","10.1515/ncrs-2023-0372","","","0.71073","MoKα","","0.0642","0.0521","","","0.1397","0.1508","","","","","","1.002","","","","has coordinates","287808","2023-11-27","08:42:42",""
"8107689","9.5792","0.0005","9.5542","0.0004","17.6986","0.0009","90","","99.508","0.005","90","","1597.55","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F4 O3 -","- C19 H16 F4 O3 -","- C76 H64 F16 O12 -","4","1","","Li, Yu-Lun; Meng, Qing-Guo; Hou, Gui-Ge; Geng, Zi-Kai","Crystal structure of 2-((2-fluoro-4-(trifluoromethyl)phenyl)(hydroxy)methyl)-7-methoxy-3,4-dihydronaphthalen-1((2H))-one, C19H16F4O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1157","1159","10.1515/ncrs-2023-0373","","","0.71073","MoKα","","0.0588","0.0481","","","0.1073","0.1153","","","","","","1.031","","","","has coordinates","287827","2023-11-28","08:23:11",""
"8107690","12.5254","0.0004","12.6845","0.0005","24.149","0.0011","90","","90","","90","","3836.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl F4 N3 O -","- C20 H18 Cl F4 N3 O -","- C160 H144 Cl8 F32 N24 O8 -","8","1","","Yu, Lu; Meng, Qing-Guo; Hou, Gui-Ge; Liu, Yong-Jun; Geng, Zi-Kai","Crystal structure of 2-amino-4-(2-fluoro-3-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1161","1163","10.1515/ncrs-2023-0374","","","1.54178","CuKα","","0.0533","0.0485","","","0.1308","0.1343","","","","","","1.027","","","","has coordinates","287828","2023-11-28","08:42:58",""
"8107691","11.929","0.002","12.653","0.003","21.707","0.004","90","","105.48","0.03","90","","3157.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F6 Ir N6 P -","- C34 H26 F6 Ir N6 P -","- C136 H104 F24 Ir4 N24 P4 -","4","1","","Qian, Jun; Chen, Chunjie; Ma, Liang; Wang, Yida","Crystal structure of (2-phenylimino methylquinoline-κ 2 N,N′)-bis(1–phenylpyrazole-κ 2 C,N)-iridium(III) hexafluorophosphate, C34H26F6IrN6P","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1165","1167","10.1515/ncrs-2023-0375","","","0.71073","MoKα","","0.0267","0.0241","","","0.045","0.0461","","","","","","1.059","","","","has coordinates","287829","2023-11-28","09:10:12",""
"8107692","6.723","0.0002","11.1182","0.0003","14.4996","0.0005","90","","94.887","0.001","90","","1079.87","0.06","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Xu, Xiaona; Tong, Hongjuan; Zhu, Zhoujing; Liu, Bin","Crystal structure of (3-hydroxy-4-methoxyphenyl)(pyrrolidin-1-yl)methanone, C12H15NO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1169","1170","10.1515/ncrs-2023-0376","","","0.71073","MoKα","","0.0739","0.0511","","","0.1258","0.1525","","","","","","1.065","","","","has coordinates","287830","2023-11-28","09:14:55",""
"8107693","10.5451","0.0003","7.1169","0.0002","13.7034","0.0004","90","","90","","90","","1028.42","0.05","293","","293","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C6 H18 Br6 In Na O2 S2 -","- C6 H18 Br6 In Na O2 S2 -","- C12 H36 Br12 In2 Na2 O4 S4 -","2","0.5","","Jin, Shifeng; Lu, Jiali","The crystal structure of bis(trimethylsulfoxonium) catena-poly[µ2-hexabromido-indium(III)sodium(I)] C6H18O2S2NaInBr6","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1171","1173","10.1515/ncrs-2023-0377","","x-ray","0.71073","MoKα","","0.0363","0.0354","","","0.0918","0.0923","","","","","","1.058","","","","has coordinates,has disorder","287831","2023-11-28","09:35:43",""
"8107694","8.0478","0.0003","9.8093","0.0004","13.1602","0.0005","90","","104.712","0.002","90","","1004.85","0.07","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N4 O12 -","- C44 H52 N4 O12 -","- C44 H52 N4 O12 -","1","0.25","","Tong, Hongjuan; Xu, Xiaona; Zhu, Zhoujing; Liu, Bin","Crystal structure of N-cyclopropyl-3-hydroxy-4-methoxybenzamide, C11H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1175","1176","10.1515/ncrs-2023-0379","","","0.71073","MoKα","","0.0545","0.0395","","","0.0901","0.101","","","","","","1.034","","","","has coordinates","287832","2023-11-28","09:40:11",""
"8107695","7.4467","0.0004","17.3823","0.0009","9.6974","0.0005","90","","103.373","0.002","90","","1221.2","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl Cu N5 O12 -","- C20 H24 Cl Cu N5 O12 -","- C40 H48 Cl2 Cu2 N10 O24 -","2","1","","Yang, Yu; Liu, Huanru; Wang, Yuhang; Meng, Xianggao","The crystal structure of (bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″ )-(dihydrogen L-malate-κ2O,O ′)copper(II) perchlorate dihydrate, CuC20H24ClN5O12","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1177","1179","10.1515/ncrs-2023-0384","","","1.34139","GaKα","","0.074","0.0642","","","0.1681","0.1757","","","","","","1.107","","","","has coordinates,has disorder","287956","2023-12-04","08:02:48",""
"8107696","9.0809","0.0009","9.2626","0.0009","14.854","0.0015","93.574","0.008","98.554","0.008","99.558","0.008","1213.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C62 H56 N4 O4 -","2","1","","Ma, Ying-Hong; Zhao, Hong-Yan; Tian, Yu; Wu, Yi; Wang, Lei","Crystal structure of (1E,1′E)-4,4′-(9,9-diethyl-9H-fluorene-2,7-diyl)dibenzaldehyde dioxime, C31H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1181","1183","10.1515/ncrs-2023-0385","","x-ray","0.71073","MoKα","","0.0871","0.0541","","","0.1191","0.1424","","","","","","1.044","","","","has coordinates","287957","2023-12-04","08:06:23",""
"8107697","9.818","0.0016","19.355","0.003","17.93","0.003","90","","102.353","0.003","90","","3328.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F2 N2 O4 -","- C40 H36 F2 N2 O4 -","- C160 H144 F8 N8 O16 -","4","1","","Zhang, Zi-Ang; Li, Jun-Xiang; Lu, Sen-Bao; Li, Peng","Crystal structure of diethyl 1,9-bis(4-fluorophenyl)-4,6-diphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta [b]pyridine-3,7(2H)-dicarboxylate, C40H36F2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1185","1187","10.1515/ncrs-2023-0388","","","0.71073","MoKα","","0.1046","0.0564","","","0.1561","0.1866","","","","","","1.13","","","","has coordinates,has disorder","287958","2023-12-04","08:10:44",""
"8107698","11.292","0.006","11.67","0.006","12.165","0.006","81.872","0.006","67.036","0.005","75.624","0.006","1428","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 N4 Ni O28 -","- C52 H66 N4 Ni O28 -","- C52 H66 N4 Ni O28 -","1","0.5","","Chen, Xiao-Ming; Ou, Guang-Chuan","Crystal structure of bis(benzene-1 carboxylato-O 3,5-carboxyl-κ 1O)-[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N′′,N′′′)nickel(II) ─ benzene-1,3,5-tricarboxylic acid ─ water (1/2/4), C52H66N4NiO28","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1189","1191","10.1515/ncrs-2023-0389","","","0.71073","MoKα","","0.0568","0.0439","","","0.1131","0.1216","","","","","","1.02","","","","has coordinates","287959","2023-12-04","08:13:16",""
"8107699","12.594","0.005","4.4613","0.0016","12.878","0.004","90","","91.209","0.012","90","","723.4","0.4","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br2 O4 -","- C12 H16 Br2 O4 -","- C24 H32 Br4 O8 -","2","0.5","","Wang, Zhi-Yong; Lu, Wan-Li; Zhou, Xu; Yang, Xian-Jiong; Zhang, Qi-Long; Xu, Hong","Crystal structure of 1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene-1,4-diol, C12H16Br2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1193","1194","10.1515/ncrs-2023-0394","","","0.71073","MoKα","","0.0735","0.045","","","0.1","0.1103","","","","","","1.035","","","","has coordinates","287960","2023-12-04","08:23:12",""
"8107700","12.8114","0.0019","21.301","0.003","10.6536","0.0016","90","","90","","90","","2907.3","0.7","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H40 N2 Ni O2 -","- C30 H40 N2 Ni O2 -","- C120 H160 N8 Ni4 O8 -","4","0.5","","Shen, Lingyi; Xu, Na; Jiang, Mengna; Zhao, Jiang; Xu, Xiaoling; Yang, Xian-Jiong; Zhang, Qi-Long","Crystal structure of dicarbonyl[N,N′-(1,2-dimethyl-1,2-ethanediylidene)bis[2,6-bis(1-methylethyl)benzenamine]-N,N′]nickel(0), C30H40N2NiO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1195","1197","10.1515/ncrs-2023-0399","","","0.71073","MoKα","","0.0333","0.029","","","0.0773","0.0808","","","","","","1.06","","","","has coordinates","287961","2023-12-04","08:29:03",""
"8107701","4.1957","0.0013","13.402","0.004","11.16","0.003","90","","99.645","0.01","90","","618.7","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br2 O2 -","- C12 H8 Br2 O2 -","- C24 H16 Br4 O4 -","2","0.5","","Wang, Zhi-Yong; Zhang, Qi-Long; Zhang, Xiu-Ming; Zhou, Xu; Yang, Xian-Jiong; Xu, Hong","Crystal structure of 1,4-dibromo-2,5-bis(prop-2-yn-1-yloxy)benzene, C12H8Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1199","1200","10.1515/ncrs-2023-0401","","","0.71073","MoKα","","0.0496","0.0287","","","0.0638","0.0701","","","","","","1.031","","","","has coordinates","287962","2023-12-04","08:33:40",""
"8107702","20.825","0.0011","5.3649","0.0003","18.8787","0.0011","90","","106.278","0.002","90","","2024.7","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 N O2 S2 -","- C24 H15 N O2 S2 -","- C96 H60 N4 O8 S8 -","4","1","","Wang, Qian; Liu, Yong-Lang; Ye, Jiang-Hai; Zou, Juan; Wu, Chong; Yang, Wu-De","Crystal structure of O-(3-(benzo[d]thiazol-2-yl)naphthalen-2-yl) O-phenyl carbonothioate, C24H15NO2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1201","1203","10.1515/ncrs-2023-0403","","","0.71073","MoKα","","0.0607","0.0439","","","0.0933","0.1015","","","","","","1.036","","","","has coordinates","287964","2023-12-04","08:54:48",""
"8107703","7.2516","0.0006","11.378","0.0009","17.1177","0.0013","90","","90","","90","","1412.36","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 F N2 O2 -","- C16 H15 F N2 O2 -","- C64 H60 F4 N8 O8 -","4","1","","Wen, Juanjuan; Liu, Langlang; Tang, Wenqiang; Liu, Bin","The crystal structure of (E)-4-fluoro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1205","1207","10.1515/ncrs-2023-0404","","x-ray","0.71073","MoKα","","0.0687","0.0498","","","0.1098","0.1201","","","","","","1.081","","","","has coordinates","287965","2023-12-04","09:00:20",""
"8107704","18.443","0.002","4.0161","0.0006","23.396","0.004","90","","99.246","0.006","90","","1710.4","0.4","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Cl0 N2 S -","- C24 H14 N2 S -","- C96 H56 N8 S4 -","4","1","","Shen, Lingyi; Gong, Qianjin; Xu, Na; Xu, Xiaoling; Jiang, Mengna; Zhao, Jiang; Huang, Ya-Li; Wang, Zhi-Yong; Zhang, Qi-Long","Crystal structure of (E)-1-(benzo[d]thiazol-2-yl)-N-(4,5-dihydropyren-2-yl)methanimine, C24H16N2S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1209","1210","10.1515/ncrs-2023-0408","","","0.71073","MoKα","","0.0771","0.0589","","","0.1112","0.1173","","","","","","1.155","","","","has coordinates","287966","2023-12-04","09:10:52",""
"8107705","5.6392","0.0002","7.793","0.0003","28.2476","0.0008","90","","90","","90","","1241.38","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N S -","- C14 H10 Br N S -","- C56 H40 Br4 N4 S4 -","4","1","","Wang, Ning; Guo, Ya-Fei; Ma, Jun-Ying; Liu, Ming-Ming; Qu, Yu-Long","Crystal structure of 3-((4-bromophenyl)thio)-1H-indole, C14H10BrNS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1211","1213","10.1515/ncrs-2023-0409","","x-ray","1.54184","CuKα","","0.047","0.0414","","","0.1017","0.1079","","","","","","1.054","","","","has coordinates","287968","2023-12-04","09:21:28",""
"8107706","7.7374","0.0003","29.1082","0.0011","8.7595","0.0003","90","","96.853","0.003","90","","1958.74","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O9 -","- C22 H22 N2 O9 -","- C88 H88 N8 O36 -","4","1","","Chen, Hai-Lin; Li, Xian; Yao, Dong-Mei; Luo, Ze-Ping; Wang, Yan-Ping; Lan, Jian-Jing","Synthesis and crystal structure of 1-((7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carboxylate monohydrate, C22H22N2O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1215","1217","10.1515/ncrs-2023-0412","","x-ray","0.71073","MoKα","","0.0673","0.052","","","0.1421","0.1501","","","","","","1.1","","","","has coordinates,has disorder","287969","2023-12-04","09:24:33",""
"8107707","7.332","0.0003","11.8132","0.0004","13.1604","0.0005","99.191","0.001","95.039","0.001","95.856","0.001","1113.06","0.07","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(3<i>E</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>Z</i>)-17-ethylidene -10,13-dimethylhexadecahydro-3<i>H</i>-cyclopenta[<i>α</i>]phenanthren -3-one <i>O</i>-(methacryloyl) oxime","","- C50 H74 N2 O4 -","- C50 H74 N2 O4 -","- C50 H74 N2 O4 -","1","1","","Wei, Peng; Zhao, Jin-Feng; Zou, Juan; Ye, Jiang-Hai; He, Kang; Xu, Hong","Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1219","1222","10.1515/ncrs-2023-0413","","","0.71073","MoKα","","0.1805","0.0662","","","0.1294","0.1655","","","","","","0.988","","","","has coordinates","287970","2023-12-04","09:27:53",""
"8107708","14.7119","0.0003","14.7119","0.0003","14.7119","0.0003","90","","90","","90","","3184.24","0.11","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- La12 Li Mg46 Mn -","- La12 Li1.0004 Mg46 Mn0.9992 -","- La24 Li2.0008 Mg92 Mn1.9984 -","2","0.0104167","","Pavlyuk, Nazar; Nytka, Vitalii; Kordan, Vasyl; Pavlyuk, Volodymyr","Crystal structure of the hydrogen storage active phase La12Mg46LiMn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1223","1225","10.1515/ncrs-2023-0416","","","0.71073","MoKα","","0.046","0.033","","","0.0601","0.0745","","","","","","1.495","","","","has coordinates","287971","2023-12-04","09:33:04",""
"8107709","8.1312","0.0003","10.5732","0.0004","12.0961","0.0004","110.933","0.002","101.603","0.002","91.295","0.002","946.37","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N3 O7 -","- C22 H15 N3 O7 -","- C44 H30 N6 O14 -","2","1","","Smith, Mark G.","The crystal structure of the salt: 4-((1,3-dioxoisoindolin-2-yl)carbamoyl)pyridine-1-ium 2-carboxybenzoate, C14H10N3O3·C8H5O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1227","1228","10.1515/ncrs-2023-0417","","x-ray","0.71073","MoKα","","0.0889","0.0493","","","0.1177","0.1369","","","","","","1.033","","","","has coordinates","287972","2023-12-04","09:36:37",""
"8107710","8.8876","0.0003","32.8428","0.0009","10.501","0.0003","90","","106.623","0.002","90","","2937.08","0.16","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 F6 Ir N7 P -","- C30 H22 F6 Ir N7 P -","- C120 H88 F24 Ir4 N28 P4 -","4","1","","Qian, Jun; Chen, Chunjie; Ma, Liang; Wang, Yida","Crystal structure of (2-(2-pyridine)-benzimidazole-κ 2 N,N′)-bis(1-phenylpyrazole-κ 2 C,N)iridium(III) hexafluorophosphate, C30H22F6IrN7P","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1229","1231","10.1515/ncrs-2023-0421","","","1.54178","CuKα","","0.0957","0.0572","","","0.103","0.1171","","","","","","1.045","","","","has coordinates","287974","2023-12-04","09:39:36",""
"8107711","16.858","0.009","14.876","0.008","17.125","0.009","90","","98.552","0.006","90","","4247","4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl2 F4 N2 Pt -","- C22 H14 Cl2 F4 N2 Pt -","- C176 H112 Cl16 F32 N16 Pt8 -","8","2","","Cheng, Chen-En-Ze; Zhang, Jian-Guo; Tan, Wei; Zou, Hao","Crystal structure of dichlorido-bis[2-(2,4-difluorophenyl)pyridine-κ 1N]platinum(II), C22H14Cl2F4N2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1233","1235","10.1515/ncrs-2023-0422","","","0.71073","MoKα","","0.0527","0.0337","","","0.0703","0.0778","","","","","","0.996","","","","has coordinates","287975","2023-12-04","09:44:53",""
"8107712","7.8101","0.0005","13.1592","0.0007","30.5721","0.0015","90","","90","","90","","3142","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 F N O3 -","- C36 H52 F N O3 -","- C144 H208 F4 N4 O12 -","4","1","","Liu, Zi-Yu; Wang, Wen-Shui; Jiang, Sheng; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (5R,8R,9R,10R,12R,13R,14R, 17S,17Z)-2-((3-fluoropyridin-4-yl)methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H52FNO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1237","1239","10.1515/ncrs-2023-0429","","","0.71073","MoKα","","0.065","0.0488","","","0.0958","0.1048","","","","","","1.033","","","","has coordinates","287976","2023-12-04","09:48:08",""